NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506355 |
1wjp   |
10038 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wjp
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 38
_Distance_constraint_stats_list.Viol_count 354
_Distance_constraint_stats_list.Viol_total 47.076
_Distance_constraint_stats_list.Viol_max 0.036
_Distance_constraint_stats_list.Viol_rms 0.0052
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0066
_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 19 CYS 0.353 0.019 7 0 "[ . 1 . 2]"
1 22 CYS 0.554 0.024 17 0 "[ . 1 . 2]"
1 35 HIS 0.015 0.005 20 0 "[ . 1 . 2]"
1 39 CYS 0.510 0.021 16 0 "[ . 1 . 2]"
1 45 CYS 0.217 0.015 14 0 "[ . 1 . 2]"
1 48 CYS 0.170 0.013 11 0 "[ . 1 . 2]"
1 61 HIS 0.071 0.006 8 0 "[ . 1 . 2]"
1 65 CYS 0.266 0.016 14 0 "[ . 1 . 2]"
1 72 CYS 0.287 0.030 15 0 "[ . 1 . 2]"
1 75 CYS 0.362 0.036 15 0 "[ . 1 . 2]"
1 88 HIS 0.046 0.006 18 0 "[ . 1 . 2]"
1 93 HIS 0.037 0.004 18 0 "[ . 1 . 2]"
2 1 ZN 0.907 0.024 17 0 "[ . 1 . 2]"
3 1 ZN 0.369 0.016 14 0 "[ . 1 . 2]"
4 1 ZN 0.544 0.036 15 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 19 CYS SG 2 1 ZN ZN . 2.330 2.370 2.361 2.330 2.381 0.011 20 0 "[ . 1 . 2]" 1
2 1 22 CYS SG 2 1 ZN ZN . 2.330 2.370 2.317 2.306 2.329 0.024 17 0 "[ . 1 . 2]" 1
3 1 35 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.356 2.328 2.375 0.005 20 0 "[ . 1 . 2]" 1
4 1 39 CYS SG 2 1 ZN ZN . 2.330 2.370 2.321 2.309 2.335 0.021 16 0 "[ . 1 . 2]" 1
5 1 19 CYS CB 2 1 ZN ZN . 3.250 3.510 3.240 3.231 3.245 0.019 7 0 "[ . 1 . 2]" 1
6 1 22 CYS CB 2 1 ZN ZN . 3.250 3.510 3.517 3.503 3.530 0.020 17 0 "[ . 1 . 2]" 1
7 1 39 CYS CB 2 1 ZN ZN . 3.250 3.510 3.270 3.239 3.333 0.011 20 0 "[ . 1 . 2]" 1
8 1 19 CYS SG 1 22 CYS SG . 3.200 4.000 3.902 3.840 4.000 . 8 0 "[ . 1 . 2]" 1
9 1 19 CYS SG 1 35 HIS NE2 . 3.200 4.000 3.678 3.489 3.866 . 0 0 "[ . 1 . 2]" 1
10 1 19 CYS SG 1 39 CYS SG . 3.200 4.000 4.005 3.994 4.019 0.019 7 0 "[ . 1 . 2]" 1
11 1 22 CYS SG 1 39 CYS SG . 3.200 4.000 4.007 4.000 4.015 0.015 16 0 "[ . 1 . 2]" 1
12 1 22 CYS SG 1 35 HIS NE2 . 3.200 4.000 3.482 3.263 3.589 . 0 0 "[ . 1 . 2]" 1
13 1 35 HIS NE2 1 39 CYS SG . 3.200 4.000 3.639 3.505 3.865 . 0 0 "[ . 1 . 2]" 1
14 1 45 CYS SG 3 1 ZN ZN . 2.330 2.370 2.336 2.320 2.371 0.010 11 0 "[ . 1 . 2]" 1
15 1 48 CYS SG 3 1 ZN ZN . 2.330 2.370 2.326 2.317 2.333 0.013 11 0 "[ . 1 . 2]" 1
16 1 61 HIS NE2 3 1 ZN ZN . 2.330 2.370 2.334 2.324 2.370 0.006 20 0 "[ . 1 . 2]" 1
17 1 65 CYS SG 3 1 ZN ZN . 2.330 2.370 2.325 2.314 2.333 0.016 14 0 "[ . 1 . 2]" 1
18 1 45 CYS CB 3 1 ZN ZN . 3.250 3.510 3.250 3.235 3.288 0.015 14 0 "[ . 1 . 2]" 1
19 1 48 CYS CB 3 1 ZN ZN . 3.250 3.510 3.467 3.334 3.521 0.011 17 0 "[ . 1 . 2]" 1
20 1 65 CYS CB 3 1 ZN ZN . 3.250 3.510 3.389 3.287 3.458 . 0 0 "[ . 1 . 2]" 1
21 1 45 CYS SG 1 48 CYS SG . 3.200 4.000 3.952 3.817 4.000 . 0 0 "[ . 1 . 2]" 1
22 1 45 CYS SG 1 65 CYS SG . 3.200 4.000 3.998 3.939 4.009 0.009 14 0 "[ . 1 . 2]" 1
23 1 45 CYS SG 1 61 HIS NE2 . 3.200 4.000 3.953 3.696 4.006 0.006 3 0 "[ . 1 . 2]" 1
24 1 48 CYS SG 1 61 HIS NE2 . 3.200 4.000 3.335 3.198 3.582 0.002 8 0 "[ . 1 . 2]" 1
25 1 48 CYS SG 1 65 CYS SG . 3.200 4.000 4.002 3.978 4.012 0.012 11 0 "[ . 1 . 2]" 1
26 1 61 HIS NE2 1 65 CYS SG . 3.200 4.000 3.270 3.194 3.440 0.006 8 0 "[ . 1 . 2]" 1
27 1 72 CYS SG 4 1 ZN ZN . 2.330 2.370 2.333 2.300 2.372 0.030 15 0 "[ . 1 . 2]" 1
28 1 75 CYS SG 4 1 ZN ZN . 2.330 2.370 2.324 2.294 2.353 0.036 15 0 "[ . 1 . 2]" 1
29 1 88 HIS NE2 4 1 ZN ZN . 2.330 2.370 2.366 2.328 2.376 0.006 18 0 "[ . 1 . 2]" 1
30 1 93 HIS NE2 4 1 ZN ZN . 2.330 2.370 2.338 2.326 2.369 0.004 5 0 "[ . 1 . 2]" 1
31 1 72 CYS CB 4 1 ZN ZN . 3.250 3.510 3.496 3.392 3.534 0.024 15 0 "[ . 1 . 2]" 1
32 1 75 CYS CB 4 1 ZN ZN . 3.250 3.510 3.512 3.459 3.540 0.030 15 0 "[ . 1 . 2]" 1
33 1 72 CYS SG 1 75 CYS SG . 3.200 4.000 3.954 3.576 4.019 0.019 15 0 "[ . 1 . 2]" 1
34 1 72 CYS SG 1 93 HIS NE2 . 3.200 4.000 3.916 3.744 4.004 0.004 14 0 "[ . 1 . 2]" 1
35 1 72 CYS SG 1 88 HIS NE2 . 3.200 4.000 3.828 3.355 3.991 . 0 0 "[ . 1 . 2]" 1
36 1 75 CYS SG 1 88 HIS NE2 . 3.200 4.000 3.319 3.195 3.606 0.005 11 0 "[ . 1 . 2]" 1
37 1 75 CYS SG 1 93 HIS NE2 . 3.200 4.000 3.960 3.762 4.004 0.004 18 0 "[ . 1 . 2]" 1
38 1 88 HIS NE2 1 93 HIS NE2 . 3.200 4.000 3.762 3.535 4.000 . 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 1933
_Distance_constraint_stats_list.Viol_count 1219
_Distance_constraint_stats_list.Viol_total 599.477
_Distance_constraint_stats_list.Viol_max 0.219
_Distance_constraint_stats_list.Viol_rms 0.0064
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0246
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.073 0.036 7 0 "[ . 1 . 2]"
1 12 GLU 0.073 0.036 7 0 "[ . 1 . 2]"
1 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 0.595 0.219 17 0 "[ . 1 . 2]"
1 16 VAL 1.027 0.046 9 0 "[ . 1 . 2]"
1 17 TYR 1.218 0.046 16 0 "[ . 1 . 2]"
1 18 GLN 1.203 0.043 12 0 "[ . 1 . 2]"
1 19 CYS 0.769 0.043 12 0 "[ . 1 . 2]"
1 20 ARG 0.996 0.123 7 0 "[ . 1 . 2]"
1 21 LEU 2.301 0.123 7 0 "[ . 1 . 2]"
1 22 CYS 0.382 0.032 16 0 "[ . 1 . 2]"
1 23 ASN 0.777 0.073 8 0 "[ . 1 . 2]"
1 24 ALA 0.412 0.044 20 0 "[ . 1 . 2]"
1 25 LYS 0.753 0.067 2 0 "[ . 1 . 2]"
1 26 LEU 0.719 0.050 11 0 "[ . 1 . 2]"
1 27 SER 0.080 0.080 9 0 "[ . 1 . 2]"
1 28 SER 0.740 0.080 9 0 "[ . 1 . 2]"
1 29 LEU 0.723 0.058 1 0 "[ . 1 . 2]"
1 30 LEU 0.888 0.091 13 0 "[ . 1 . 2]"
1 31 GLU 2.193 0.150 6 0 "[ . 1 . 2]"
1 32 GLN 0.488 0.035 16 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 SER 0.219 0.049 20 0 "[ . 1 . 2]"
1 35 HIS 0.233 0.060 10 0 "[ . 1 . 2]"
1 36 GLU 0.349 0.143 20 0 "[ . 1 . 2]"
1 37 ARG 1.300 0.134 10 0 "[ . 1 . 2]"
1 38 LEU 2.194 0.134 10 0 "[ . 1 . 2]"
1 39 CYS 0.296 0.089 12 0 "[ . 1 . 2]"
1 40 ARG 0.649 0.089 12 0 "[ . 1 . 2]"
1 41 ASN 0.394 0.085 19 0 "[ . 1 . 2]"
1 42 ALA 0.660 0.085 19 0 "[ . 1 . 2]"
1 43 ALA 0.928 0.108 5 0 "[ . 1 . 2]"
1 44 VAL 0.786 0.058 3 0 "[ . 1 . 2]"
1 45 CYS 0.302 0.076 19 0 "[ . 1 . 2]"
1 46 PRO 0.453 0.150 19 0 "[ . 1 . 2]"
1 47 TYR 0.220 0.055 11 0 "[ . 1 . 2]"
1 48 CYS 0.029 0.011 4 0 "[ . 1 . 2]"
1 49 SER 0.123 0.035 10 0 "[ . 1 . 2]"
1 50 LEU 0.586 0.046 16 0 "[ . 1 . 2]"
1 51 ARG 0.427 0.077 16 0 "[ . 1 . 2]"
1 52 PHE 0.785 0.046 16 0 "[ . 1 . 2]"
1 53 PHE 0.054 0.029 14 0 "[ . 1 . 2]"
1 54 SER 0.397 0.132 18 0 "[ . 1 . 2]"
1 55 PRO 0.684 0.132 18 0 "[ . 1 . 2]"
1 56 GLU 0.078 0.057 9 0 "[ . 1 . 2]"
1 57 LEU 0.685 0.057 9 0 "[ . 1 . 2]"
1 58 LYS 2.263 0.150 19 0 "[ . 1 . 2]"
1 59 GLN 0.476 0.134 4 0 "[ . 1 . 2]"
1 60 GLU 0.660 0.084 19 0 "[ . 1 . 2]"
1 61 HIS 0.602 0.045 20 0 "[ . 1 . 2]"
1 62 GLU 2.422 0.143 16 0 "[ . 1 . 2]"
1 63 SER 1.940 0.124 7 0 "[ . 1 . 2]"
1 64 LYS 0.732 0.076 17 0 "[ . 1 . 2]"
1 65 CYS 0.343 0.048 11 0 "[ . 1 . 2]"
1 66 GLU 0.164 0.063 19 0 "[ . 1 . 2]"
1 67 TYR 0.180 0.051 18 0 "[ . 1 . 2]"
1 68 LYS 0.289 0.055 11 0 "[ . 1 . 2]"
1 69 LYS 0.427 0.063 19 0 "[ . 1 . 2]"
1 70 LEU 0.328 0.046 18 0 "[ . 1 . 2]"
1 71 THR 0.262 0.034 18 0 "[ . 1 . 2]"
1 72 CYS 1.251 0.101 17 0 "[ . 1 . 2]"
1 73 LEU 1.302 0.101 17 0 "[ . 1 . 2]"
1 74 GLU 0.304 0.120 14 0 "[ . 1 . 2]"
1 75 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 MET 0.004 0.004 15 0 "[ . 1 . 2]"
1 77 ARG 0.110 0.023 4 0 "[ . 1 . 2]"
1 78 THR 0.112 0.030 11 0 "[ . 1 . 2]"
1 79 PHE 0.146 0.023 4 0 "[ . 1 . 2]"
1 80 LYS 0.062 0.050 1 0 "[ . 1 . 2]"
1 81 SER 0.078 0.050 1 0 "[ . 1 . 2]"
1 82 SER 0.015 0.013 16 0 "[ . 1 . 2]"
1 83 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 SER 0.018 0.014 16 0 "[ . 1 . 2]"
1 85 ILE 0.181 0.031 9 0 "[ . 1 . 2]"
1 86 TRP 0.360 0.037 6 0 "[ . 1 . 2]"
1 87 ARG 0.166 0.024 16 0 "[ . 1 . 2]"
1 88 HIS 0.349 0.073 18 0 "[ . 1 . 2]"
1 89 GLN 0.321 0.073 18 0 "[ . 1 . 2]"
1 90 VAL 1.406 0.081 8 0 "[ . 1 . 2]"
1 91 GLU 0.661 0.081 8 0 "[ . 1 . 2]"
1 92 VAL 0.107 0.022 5 0 "[ . 1 . 2]"
1 93 HIS 1.207 0.137 19 0 "[ . 1 . 2]"
1 94 ASN 0.447 0.137 19 0 "[ . 1 . 2]"
1 95 GLN 0.775 0.064 19 0 "[ . 1 . 2]"
1 96 ASN 0.155 0.064 18 0 "[ . 1 . 2]"
1 97 ASN 0.084 0.024 13 0 "[ . 1 . 2]"
1 98 MET 0.764 0.180 4 0 "[ . 1 . 2]"
1 99 ALA 0.651 0.180 4 0 "[ . 1 . 2]"
1 100 PRO 0.427 0.124 2 0 "[ . 1 . 2]"
1 101 THR 0.427 0.124 2 0 "[ . 1 . 2]"
1 102 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 45 CYS H 1 49 SER H . . 4.620 4.454 4.217 4.655 0.035 10 0 "[ . 1 . 2]" 2
2 1 45 CYS HB3 1 49 SER H . . 3.950 2.833 2.550 3.092 . 0 0 "[ . 1 . 2]" 2
3 1 44 VAL MG1 1 49 SER H . . 4.280 4.118 3.994 4.262 . 0 0 "[ . 1 . 2]" 2
4 1 93 HIS H 1 94 ASN HA . . 4.950 4.704 4.612 4.768 . 0 0 "[ . 1 . 2]" 2
5 1 92 VAL MG1 1 93 HIS H . . 4.150 3.139 3.046 3.395 . 0 0 "[ . 1 . 2]" 2
6 1 93 HIS H 1 93 HIS HD2 . . 4.040 2.554 2.353 3.115 . 0 0 "[ . 1 . 2]" 2
7 1 89 GLN HA 1 93 HIS H . . 3.880 2.594 2.435 2.709 . 0 0 "[ . 1 . 2]" 2
8 1 93 HIS H 1 93 HIS HB3 . . 3.810 3.608 3.596 3.627 . 0 0 "[ . 1 . 2]" 2
9 1 93 HIS H 1 93 HIS HB2 . . 3.770 2.475 2.370 2.556 . 0 0 "[ . 1 . 2]" 2
10 1 89 GLN HG2 1 93 HIS H . . 5.340 4.903 4.494 5.126 . 0 0 "[ . 1 . 2]" 2
11 1 92 VAL HB 1 93 HIS H . . 3.730 2.041 1.994 2.196 . 0 0 "[ . 1 . 2]" 2
12 1 83 PHE H 1 84 SER H . . 4.480 2.656 2.436 2.812 . 0 0 "[ . 1 . 2]" 2
13 1 81 SER H 1 84 SER H . . 4.310 4.077 3.816 4.292 . 0 0 "[ . 1 . 2]" 2
14 1 83 PHE QD 1 84 SER H . . 4.080 3.515 3.105 3.897 . 0 0 "[ . 1 . 2]" 2
15 1 84 SER H 1 84 SER QB . . 3.050 2.326 2.164 2.775 . 0 0 "[ . 1 . 2]" 2
16 1 83 PHE HB3 1 84 SER H . . 4.220 2.748 2.455 3.153 . 0 0 "[ . 1 . 2]" 2
17 1 83 PHE HB2 1 84 SER H . . 4.220 4.001 3.828 4.218 . 0 0 "[ . 1 . 2]" 2
18 1 100 PRO HA 1 101 THR H . . 3.150 2.540 2.150 3.274 0.124 2 0 "[ . 1 . 2]" 2
19 1 100 PRO QG 1 101 THR H . . 5.440 4.227 3.340 4.753 . 0 0 "[ . 1 . 2]" 2
20 1 101 THR H 1 101 THR MG . . 4.200 2.555 1.936 3.920 . 0 0 "[ . 1 . 2]" 2
21 1 26 LEU H 1 27 SER H . . 4.560 4.490 4.448 4.538 . 0 0 "[ . 1 . 2]" 2
22 1 27 SER H 1 31 GLU HB3 . . 3.970 2.515 2.334 2.757 . 0 0 "[ . 1 . 2]" 2
23 1 26 LEU HB3 1 27 SER H . . 3.460 2.039 1.914 2.252 . 0 0 "[ . 1 . 2]" 2
24 1 26 LEU HB2 1 27 SER H . . 3.770 3.531 3.439 3.691 . 0 0 "[ . 1 . 2]" 2
25 1 72 CYS H 1 79 PHE H . . 4.730 4.544 4.287 4.735 0.005 9 0 "[ . 1 . 2]" 2
26 1 71 THR H 1 72 CYS H . . 4.750 4.305 4.099 4.495 . 0 0 "[ . 1 . 2]" 2
27 1 72 CYS H 1 77 ARG H . . 4.320 3.017 2.673 3.356 . 0 0 "[ . 1 . 2]" 2
28 1 72 CYS H 1 79 PHE QD . . 4.200 3.621 3.367 3.856 . 0 0 "[ . 1 . 2]" 2
29 1 71 THR HA 1 72 CYS H . . 3.240 2.152 2.141 2.186 . 0 0 "[ . 1 . 2]" 2
30 1 72 CYS H 1 78 THR HA . . 4.010 2.902 2.670 3.109 . 0 0 "[ . 1 . 2]" 2
31 1 72 CYS H 1 72 CYS HB3 . . 3.670 2.618 2.432 2.777 . 0 0 "[ . 1 . 2]" 2
32 1 72 CYS H 1 72 CYS HB2 . . 3.680 2.476 2.305 2.672 . 0 0 "[ . 1 . 2]" 2
33 1 72 CYS H 1 78 THR MG . . 4.520 4.402 4.069 4.550 0.030 11 0 "[ . 1 . 2]" 2
34 1 71 THR HB 1 72 CYS H . . 4.630 4.313 4.175 4.382 . 0 0 "[ . 1 . 2]" 2
35 1 27 SER H 1 28 SER H . . 3.350 2.098 2.006 2.220 . 0 0 "[ . 1 . 2]" 2
36 1 28 SER H 1 29 LEU H . . 4.810 4.335 4.307 4.353 . 0 0 "[ . 1 . 2]" 2
37 1 17 TYR QD 1 28 SER H . . 4.060 3.564 3.433 3.747 . 0 0 "[ . 1 . 2]" 2
38 1 17 TYR HB3 1 28 SER H . . 5.500 5.518 5.496 5.541 0.041 17 0 "[ . 1 . 2]" 2
39 1 28 SER H 1 31 GLU HG2 . . 5.170 4.515 4.017 4.917 . 0 0 "[ . 1 . 2]" 2
40 1 28 SER H 1 31 GLU HG3 . . 5.170 5.103 4.874 5.187 0.017 5 0 "[ . 1 . 2]" 2
41 1 28 SER H 1 31 GLU HB3 . . 3.250 2.738 2.591 2.929 . 0 0 "[ . 1 . 2]" 2
42 1 26 LEU HB3 1 28 SER H . . 3.680 2.182 2.140 2.253 . 0 0 "[ . 1 . 2]" 2
43 1 26 LEU HB2 1 28 SER H . . 3.640 3.507 3.427 3.576 . 0 0 "[ . 1 . 2]" 2
44 1 26 LEU MD1 1 28 SER H . . 4.360 3.896 3.778 3.984 . 0 0 "[ . 1 . 2]" 2
45 1 28 SER H 1 31 GLU H . . 4.190 3.717 3.473 3.842 . 0 0 "[ . 1 . 2]" 2
46 1 17 TYR HB2 1 28 SER H . . 4.460 4.151 4.082 4.266 . 0 0 "[ . 1 . 2]" 2
47 1 23 ASN HA 1 23 ASN HD21 . . 4.860 2.956 2.261 3.862 . 0 0 "[ . 1 . 2]" 2
48 1 23 ASN HA 1 23 ASN HD22 . . 4.940 4.074 3.642 5.013 0.073 8 0 "[ . 1 . 2]" 2
49 1 23 ASN QB 1 23 ASN HD22 . . 3.730 3.314 3.261 3.392 . 0 0 "[ . 1 . 2]" 2
50 1 18 GLN HG2 1 23 ASN HD21 . . 5.070 4.797 4.005 5.069 . 0 0 "[ . 1 . 2]" 2
51 1 19 CYS H 1 22 CYS H . . 4.790 4.783 4.668 4.822 0.032 16 0 "[ . 1 . 2]" 2
52 1 19 CYS H 1 26 LEU H . . 4.970 4.736 4.652 4.882 . 0 0 "[ . 1 . 2]" 2
53 1 18 GLN H 1 19 CYS H . . 4.660 4.568 4.547 4.585 . 0 0 "[ . 1 . 2]" 2
54 1 19 CYS H 1 23 ASN H . . 4.250 3.833 3.659 4.008 . 0 0 "[ . 1 . 2]" 2
55 1 18 GLN HA 1 19 CYS H . . 2.870 2.277 2.245 2.339 . 0 0 "[ . 1 . 2]" 2
56 1 19 CYS H 1 23 ASN HA . . 4.040 3.019 2.811 3.199 . 0 0 "[ . 1 . 2]" 2
57 1 19 CYS H 1 25 LYS HA . . 4.390 4.110 3.955 4.335 . 0 0 "[ . 1 . 2]" 2
58 1 19 CYS H 1 19 CYS HB3 . . 3.230 2.439 2.412 2.475 . 0 0 "[ . 1 . 2]" 2
59 1 19 CYS H 1 19 CYS HB2 . . 3.280 2.677 2.636 2.739 . 0 0 "[ . 1 . 2]" 2
60 1 18 GLN HG2 1 19 CYS H . . 4.140 3.548 3.404 3.614 . 0 0 "[ . 1 . 2]" 2
61 1 18 GLN HG3 1 19 CYS H . . 4.350 4.135 4.100 4.172 . 0 0 "[ . 1 . 2]" 2
62 1 18 GLN HB3 1 19 CYS H . . 3.840 2.874 2.697 2.989 . 0 0 "[ . 1 . 2]" 2
63 1 19 CYS H 1 24 ALA MB . . 3.990 3.648 3.460 3.811 . 0 0 "[ . 1 . 2]" 2
64 1 19 CYS H 1 26 LEU MD1 . . 5.220 4.886 4.724 5.005 . 0 0 "[ . 1 . 2]" 2
65 1 18 GLN HE21 1 19 CYS H . . 5.150 5.098 4.977 5.156 0.006 4 0 "[ . 1 . 2]" 2
66 1 18 GLN HE21 1 23 ASN HA . . 4.190 3.510 3.410 3.601 . 0 0 "[ . 1 . 2]" 2
67 1 18 GLN HE21 1 23 ASN QB . . 3.780 2.476 2.138 2.659 . 0 0 "[ . 1 . 2]" 2
68 1 18 GLN HB3 1 18 GLN HE21 . . 4.110 2.693 2.468 3.057 . 0 0 "[ . 1 . 2]" 2
69 1 18 GLN HE22 1 23 ASN QB . . 3.990 3.829 3.397 3.985 . 0 0 "[ . 1 . 2]" 2
70 1 18 GLN HE22 1 23 ASN HA . . 5.470 5.207 5.079 5.284 . 0 0 "[ . 1 . 2]" 2
71 1 18 GLN HE22 1 18 GLN HG2 . . 4.050 3.546 3.473 3.610 . 0 0 "[ . 1 . 2]" 2
72 1 86 TRP H 1 87 ARG HA . . 5.500 5.483 5.411 5.524 0.024 16 0 "[ . 1 . 2]" 2
73 1 86 TRP H 1 86 TRP HE3 . . 5.500 5.041 4.880 5.200 . 0 0 "[ . 1 . 2]" 2
74 1 82 SER HA 1 86 TRP H . . 4.220 3.960 3.686 4.185 . 0 0 "[ . 1 . 2]" 2
75 1 86 TRP H 1 86 TRP HB3 . . 3.340 2.693 2.600 2.825 . 0 0 "[ . 1 . 2]" 2
76 1 86 TRP H 1 86 TRP HB2 . . 3.270 2.405 2.316 2.467 . 0 0 "[ . 1 . 2]" 2
77 1 85 ILE HB 1 86 TRP H . . 4.390 3.956 3.826 4.064 . 0 0 "[ . 1 . 2]" 2
78 1 85 ILE MG 1 86 TRP H . . 3.280 1.986 1.869 2.225 . 0 0 "[ . 1 . 2]" 2
79 1 18 GLN HG2 1 26 LEU H . . 5.440 5.100 4.922 5.256 . 0 0 "[ . 1 . 2]" 2
80 1 26 LEU H 1 32 GLN HG3 . . 5.500 5.377 5.160 5.502 0.002 16 0 "[ . 1 . 2]" 2
81 1 25 LYS HG2 1 26 LEU H . . 4.340 4.239 4.083 4.348 0.008 13 0 "[ . 1 . 2]" 2
82 1 17 TYR H 1 26 LEU H . . 3.850 3.653 3.543 3.761 . 0 0 "[ . 1 . 2]" 2
83 1 18 GLN HA 1 26 LEU H . . 3.550 3.125 3.024 3.282 . 0 0 "[ . 1 . 2]" 2
84 1 25 LYS HA 1 26 LEU H . . 2.770 2.155 2.141 2.179 . 0 0 "[ . 1 . 2]" 2
85 1 17 TYR HB3 1 26 LEU H . . 4.740 4.642 4.515 4.736 . 0 0 "[ . 1 . 2]" 2
86 1 17 TYR HB2 1 26 LEU H . . 4.170 3.450 3.268 3.587 . 0 0 "[ . 1 . 2]" 2
87 1 18 GLN HG3 1 26 LEU H . . 4.640 4.015 3.842 4.144 . 0 0 "[ . 1 . 2]" 2
88 1 26 LEU H 1 26 LEU HB3 . . 3.740 3.514 3.484 3.551 . 0 0 "[ . 1 . 2]" 2
89 1 26 LEU H 1 26 LEU HB2 . . 3.260 2.236 2.194 2.289 . 0 0 "[ . 1 . 2]" 2
90 1 16 VAL MG2 1 26 LEU H . . 4.420 2.961 2.836 3.109 . 0 0 "[ . 1 . 2]" 2
91 1 26 LEU H 1 26 LEU MD2 . . 3.320 2.392 2.185 2.635 . 0 0 "[ . 1 . 2]" 2
92 1 98 MET HA 1 99 ALA H . . 2.810 2.300 2.141 2.954 0.144 4 0 "[ . 1 . 2]" 2
93 1 98 MET HB2 1 99 ALA H . . 4.570 3.769 2.225 4.577 0.007 13 0 "[ . 1 . 2]" 2
94 1 99 ALA H 1 99 ALA MB . . 2.890 2.481 2.034 2.908 0.018 18 0 "[ . 1 . 2]" 2
95 1 102 SER QB 1 103 GLY H . . 4.780 3.230 2.186 4.031 . 0 0 "[ . 1 . 2]" 2
96 1 63 SER H 1 64 LYS HA . . 5.460 5.317 5.140 5.446 . 0 0 "[ . 1 . 2]" 2
97 1 62 GLU H 1 63 SER H . . 3.520 2.999 2.848 3.131 . 0 0 "[ . 1 . 2]" 2
98 1 61 HIS H 1 63 SER H . . 4.500 4.273 4.092 4.471 . 0 0 "[ . 1 . 2]" 2
99 1 63 SER H 1 64 LYS H . . 3.250 2.714 2.473 2.898 . 0 0 "[ . 1 . 2]" 2
100 1 61 HIS QB 1 63 SER H . . 5.170 4.753 4.467 5.031 . 0 0 "[ . 1 . 2]" 2
101 1 62 GLU QG 1 63 SER H . . 4.480 4.366 4.221 4.507 0.027 10 0 "[ . 1 . 2]" 2
102 1 62 GLU HB2 1 63 SER H . . 3.950 2.814 2.527 3.168 . 0 0 "[ . 1 . 2]" 2
103 1 62 GLU HB3 1 63 SER H . . 3.780 3.168 2.855 3.552 . 0 0 "[ . 1 . 2]" 2
104 1 63 SER H 1 64 LYS QG . . 4.680 4.035 3.617 4.592 . 0 0 "[ . 1 . 2]" 2
105 1 18 GLN HA 1 24 ALA H . . 4.900 4.173 3.888 4.389 . 0 0 "[ . 1 . 2]" 2
106 1 53 PHE H 1 54 SER H . . 3.710 2.669 2.350 2.995 . 0 0 "[ . 1 . 2]" 2
107 1 52 PHE H 1 54 SER H . . 5.500 5.426 5.171 5.517 0.017 11 0 "[ . 1 . 2]" 2
108 1 54 SER H 1 57 LEU H . . 4.100 4.023 3.712 4.122 0.022 3 0 "[ . 1 . 2]" 2
109 1 52 PHE QD 1 54 SER H . . 5.030 4.847 4.608 5.036 0.006 11 0 "[ . 1 . 2]" 2
110 1 54 SER H 1 54 SER HB2 . . 4.040 2.517 2.391 3.754 . 0 0 "[ . 1 . 2]" 2
111 1 54 SER H 1 54 SER HB3 . . 4.040 3.522 2.971 3.667 . 0 0 "[ . 1 . 2]" 2
112 1 53 PHE HB2 1 54 SER H . . 4.320 4.002 3.884 4.113 . 0 0 "[ . 1 . 2]" 2
113 1 52 PHE HB3 1 54 SER H . . 3.330 3.034 2.778 3.253 . 0 0 "[ . 1 . 2]" 2
114 1 52 PHE HB2 1 54 SER H . . 3.790 3.647 3.456 3.807 0.017 8 0 "[ . 1 . 2]" 2
115 1 54 SER H 1 57 LEU HB3 . . 4.490 4.350 4.151 4.499 0.009 15 0 "[ . 1 . 2]" 2
116 1 54 SER H 1 57 LEU HB2 . . 3.820 2.954 2.773 3.069 . 0 0 "[ . 1 . 2]" 2
117 1 43 ALA MB 1 54 SER H . . 4.220 3.841 3.583 4.004 . 0 0 "[ . 1 . 2]" 2
118 1 54 SER H 1 57 LEU MD1 . . 3.590 2.314 1.867 2.605 . 0 0 "[ . 1 . 2]" 2
119 1 54 SER H 1 57 LEU MD2 . . 4.980 4.866 4.559 5.010 0.030 16 0 "[ . 1 . 2]" 2
120 1 63 SER H 1 63 SER QB . . 3.060 2.273 2.135 2.715 . 0 0 "[ . 1 . 2]" 2
121 1 22 CYS HA 1 24 ALA H . . 5.320 4.975 4.572 5.122 . 0 0 "[ . 1 . 2]" 2
122 1 22 CYS HB2 1 24 ALA H . . 4.450 4.380 4.010 4.469 0.019 7 0 "[ . 1 . 2]" 2
123 1 19 CYS HB3 1 24 ALA H . . 3.240 1.931 1.889 2.020 . 0 0 "[ . 1 . 2]" 2
124 1 19 CYS HB2 1 24 ALA H . . 3.510 3.202 3.026 3.332 . 0 0 "[ . 1 . 2]" 2
125 1 47 TYR QD 1 68 LYS H . . 4.250 3.897 3.482 4.305 0.055 11 0 "[ . 1 . 2]" 2
126 1 66 GLU HA 1 68 LYS H . . 4.400 4.069 3.827 4.363 . 0 0 "[ . 1 . 2]" 2
127 1 67 TYR HB2 1 68 LYS H . . 4.340 3.096 2.893 3.364 . 0 0 "[ . 1 . 2]" 2
128 1 65 CYS HB3 1 68 LYS H . . 3.830 2.825 2.440 3.031 . 0 0 "[ . 1 . 2]" 2
129 1 67 TYR HB3 1 68 LYS H . . 4.340 3.685 3.383 4.025 . 0 0 "[ . 1 . 2]" 2
130 1 65 CYS HB2 1 68 LYS H . . 4.480 4.153 3.909 4.396 . 0 0 "[ . 1 . 2]" 2
131 1 68 LYS H 1 68 LYS HB2 . . 3.430 2.565 2.452 2.702 . 0 0 "[ . 1 . 2]" 2
132 1 68 LYS H 1 68 LYS HB3 . . 3.430 2.502 2.357 2.624 . 0 0 "[ . 1 . 2]" 2
133 1 68 LYS H 1 68 LYS HG3 . . 4.610 4.440 4.327 4.503 . 0 0 "[ . 1 . 2]" 2
134 1 68 LYS H 1 68 LYS HG2 . . 4.610 4.494 4.376 4.646 0.036 5 0 "[ . 1 . 2]" 2
135 1 16 VAL H 1 17 TYR H . . 4.570 4.439 4.356 4.474 . 0 0 "[ . 1 . 2]" 2
136 1 17 TYR H 1 17 TYR QD . . 3.300 3.232 3.083 3.328 0.028 6 0 "[ . 1 . 2]" 2
137 1 17 TYR H 1 17 TYR QE . . 4.750 4.624 4.534 4.698 . 0 0 "[ . 1 . 2]" 2
138 1 17 TYR H 1 25 LYS HA . . 4.780 4.629 4.519 4.772 . 0 0 "[ . 1 . 2]" 2
139 1 16 VAL HA 1 17 TYR H . . 2.580 2.266 2.239 2.291 . 0 0 "[ . 1 . 2]" 2
140 1 17 TYR H 1 17 TYR HB3 . . 3.820 3.672 3.653 3.696 . 0 0 "[ . 1 . 2]" 2
141 1 17 TYR H 1 17 TYR HB2 . . 3.340 2.588 2.562 2.619 . 0 0 "[ . 1 . 2]" 2
142 1 16 VAL HB 1 17 TYR H . . 4.160 3.989 3.935 4.020 . 0 0 "[ . 1 . 2]" 2
143 1 17 TYR H 1 26 LEU HB2 . . 4.440 4.012 3.924 4.173 . 0 0 "[ . 1 . 2]" 2
144 1 16 VAL MG2 1 17 TYR H . . 3.230 1.892 1.860 1.978 . 0 0 "[ . 1 . 2]" 2
145 1 20 ARG H 1 32 GLN HE21 . . 4.840 3.805 3.582 3.936 . 0 0 "[ . 1 . 2]" 2
146 1 32 GLN HB2 1 32 GLN HE21 . . 4.710 4.315 4.203 4.407 . 0 0 "[ . 1 . 2]" 2
147 1 19 CYS HA 1 32 GLN HE21 . . 4.390 3.220 2.993 3.355 . 0 0 "[ . 1 . 2]" 2
148 1 20 ARG H 1 32 GLN HE22 . . 5.450 5.343 5.085 5.462 0.012 6 0 "[ . 1 . 2]" 2
149 1 18 GLN H 1 32 GLN HE22 . . 4.330 4.000 3.778 4.189 . 0 0 "[ . 1 . 2]" 2
150 1 17 TYR HA 1 32 GLN HE22 . . 4.510 3.785 3.436 4.102 . 0 0 "[ . 1 . 2]" 2
151 1 32 GLN HE22 1 32 GLN HG2 . . 4.060 3.654 3.600 3.717 . 0 0 "[ . 1 . 2]" 2
152 1 32 GLN HE22 1 32 GLN HG3 . . 3.960 3.572 3.522 3.622 . 0 0 "[ . 1 . 2]" 2
153 1 79 PHE QD 1 81 SER H . . 4.570 4.426 4.090 4.575 0.005 9 0 "[ . 1 . 2]" 2
154 1 80 LYS HB2 1 81 SER H . . 4.500 3.510 2.580 4.184 . 0 0 "[ . 1 . 2]" 2
155 1 80 LYS QD 1 81 SER H . . 4.810 4.278 2.821 4.860 0.050 1 0 "[ . 1 . 2]" 2
156 1 70 LEU MD1 1 81 SER H . . 4.650 4.325 4.001 4.653 0.003 2 0 "[ . 1 . 2]" 2
157 1 80 LYS H 1 81 SER H . . 3.670 2.348 2.144 2.501 . 0 0 "[ . 1 . 2]" 2
158 1 81 SER H 1 84 SER QB . . 3.280 2.762 2.316 3.282 0.002 19 0 "[ . 1 . 2]" 2
159 1 79 PHE HB3 1 81 SER H . . 3.960 2.788 2.311 3.015 . 0 0 "[ . 1 . 2]" 2
160 1 79 PHE HB2 1 81 SER H . . 3.960 3.643 3.068 3.925 . 0 0 "[ . 1 . 2]" 2
161 1 80 LYS HB3 1 81 SER H . . 4.500 3.128 2.463 4.382 . 0 0 "[ . 1 . 2]" 2
162 1 81 SER H 1 85 ILE HB . . 5.500 4.968 4.483 5.329 . 0 0 "[ . 1 . 2]" 2
163 1 70 LEU MD2 1 81 SER H . . 4.490 3.789 2.837 4.488 . 0 0 "[ . 1 . 2]" 2
164 1 79 PHE HA 1 81 SER H . . 4.900 4.624 4.225 4.882 . 0 0 "[ . 1 . 2]" 2
165 1 12 GLU H 1 12 GLU HG2 . . 4.870 3.263 2.093 4.469 . 0 0 "[ . 1 . 2]" 2
166 1 63 SER H 1 65 CYS H . . 4.120 3.934 3.682 4.134 0.014 4 0 "[ . 1 . 2]" 2
167 1 63 SER QB 1 65 CYS H . . 4.760 4.508 4.363 4.808 0.048 11 0 "[ . 1 . 2]" 2
168 1 65 CYS H 1 65 CYS HB3 . . 3.220 2.460 2.334 2.637 . 0 0 "[ . 1 . 2]" 2
169 1 62 GLU QG 1 65 CYS H . . 5.380 5.138 4.803 5.281 . 0 0 "[ . 1 . 2]" 2
170 1 65 CYS H 1 65 CYS HB2 . . 3.210 2.649 2.422 2.837 . 0 0 "[ . 1 . 2]" 2
171 1 62 GLU HB3 1 65 CYS H . . 5.290 4.958 4.652 5.187 . 0 0 "[ . 1 . 2]" 2
172 1 11 VAL HA 1 12 GLU H . . 2.960 2.178 2.142 2.287 . 0 0 "[ . 1 . 2]" 2
173 1 12 GLU H 1 12 GLU HG3 . . 4.870 3.498 2.186 4.708 . 0 0 "[ . 1 . 2]" 2
174 1 12 GLU H 1 12 GLU HB3 . . 3.870 2.959 2.358 3.772 . 0 0 "[ . 1 . 2]" 2
175 1 12 GLU H 1 12 GLU HB2 . . 3.870 3.221 2.361 3.833 . 0 0 "[ . 1 . 2]" 2
176 1 11 VAL MG1 1 12 GLU H . . 4.760 3.494 2.155 4.126 . 0 0 "[ . 1 . 2]" 2
177 1 11 VAL MG2 1 12 GLU H . . 4.760 3.307 2.033 4.245 . 0 0 "[ . 1 . 2]" 2
178 1 65 CYS H 1 66 GLU H . . 4.670 4.482 4.324 4.629 . 0 0 "[ . 1 . 2]" 2
179 1 65 CYS H 1 68 LYS H . . 5.340 4.730 4.391 5.244 . 0 0 "[ . 1 . 2]" 2
180 1 64 LYS HB2 1 65 CYS H . . 4.780 4.346 3.300 4.484 . 0 0 "[ . 1 . 2]" 2
181 1 63 SER HA 1 65 CYS H . . 4.340 3.965 3.849 4.225 . 0 0 "[ . 1 . 2]" 2
182 1 36 GLU HA 1 39 CYS H . . 3.990 3.409 3.252 3.594 . 0 0 "[ . 1 . 2]" 2
183 1 38 LEU HG 1 39 CYS H . . 3.900 2.325 2.094 2.522 . 0 0 "[ . 1 . 2]" 2
184 1 38 LEU MD1 1 39 CYS H . . 4.930 3.624 3.326 3.802 . 0 0 "[ . 1 . 2]" 2
185 1 39 CYS H 1 39 CYS HB2 . . 3.480 2.611 2.494 2.713 . 0 0 "[ . 1 . 2]" 2
186 1 39 CYS H 1 39 CYS HB3 . . 3.480 2.504 2.392 2.573 . 0 0 "[ . 1 . 2]" 2
187 1 39 CYS H 1 42 ALA MB . . 5.080 4.438 4.251 4.581 . 0 0 "[ . 1 . 2]" 2
188 1 71 THR HA 1 79 PHE H . . 4.590 3.614 3.418 3.754 . 0 0 "[ . 1 . 2]" 2
189 1 70 LEU MD1 1 79 PHE H . . 4.990 4.484 3.892 4.808 . 0 0 "[ . 1 . 2]" 2
190 1 45 CYS H 1 50 LEU H . . 4.210 2.643 2.465 2.913 . 0 0 "[ . 1 . 2]" 2
191 1 49 SER H 1 50 LEU H . . 3.460 2.711 2.505 2.934 . 0 0 "[ . 1 . 2]" 2
192 1 50 LEU H 1 52 PHE QD . . 5.500 5.481 5.382 5.546 0.046 16 0 "[ . 1 . 2]" 2
193 1 50 LEU H 1 61 HIS HD2 . . 5.500 5.440 5.235 5.523 0.023 19 0 "[ . 1 . 2]" 2
194 1 50 LEU H 1 52 PHE QE . . 4.990 4.402 3.924 4.615 . 0 0 "[ . 1 . 2]" 2
195 1 45 CYS HA 1 50 LEU H . . 4.670 4.399 4.145 4.637 . 0 0 "[ . 1 . 2]" 2
196 1 45 CYS HB3 1 50 LEU H . . 3.640 2.016 1.900 2.107 . 0 0 "[ . 1 . 2]" 2
197 1 45 CYS HB2 1 50 LEU H . . 3.820 3.269 2.794 3.508 . 0 0 "[ . 1 . 2]" 2
198 1 50 LEU H 1 50 LEU HG . . 3.470 3.273 3.176 3.375 . 0 0 "[ . 1 . 2]" 2
199 1 50 LEU H 1 50 LEU HB3 . . 3.500 3.445 3.430 3.461 . 0 0 "[ . 1 . 2]" 2
200 1 44 VAL MG1 1 50 LEU H . . 3.730 3.526 3.331 3.741 0.011 5 0 "[ . 1 . 2]" 2
201 1 20 ARG H 1 21 LEU H . . 3.440 2.837 2.751 2.869 . 0 0 "[ . 1 . 2]" 2
202 1 21 LEU H 1 22 CYS H . . 3.080 2.033 1.981 2.152 . 0 0 "[ . 1 . 2]" 2
203 1 21 LEU H 1 23 ASN H . . 3.920 2.607 2.547 2.773 . 0 0 "[ . 1 . 2]" 2
204 1 19 CYS HB3 1 21 LEU H . . 4.360 3.141 3.061 3.182 . 0 0 "[ . 1 . 2]" 2
205 1 21 LEU H 1 22 CYS HB3 . . 5.500 5.120 5.063 5.199 . 0 0 "[ . 1 . 2]" 2
206 1 21 LEU H 1 21 LEU HB2 . . 3.320 2.778 2.721 2.845 . 0 0 "[ . 1 . 2]" 2
207 1 20 ARG HB3 1 21 LEU H . . 4.370 4.405 4.368 4.493 0.123 7 0 "[ . 1 . 2]" 2
208 1 20 ARG HB2 1 21 LEU H . . 3.990 3.961 3.789 4.002 0.012 4 0 "[ . 1 . 2]" 2
209 1 21 LEU H 1 21 LEU HG . . 3.410 2.704 2.609 2.819 . 0 0 "[ . 1 . 2]" 2
210 1 21 LEU H 1 21 LEU HB3 . . 3.810 3.814 3.784 3.850 0.040 14 0 "[ . 1 . 2]" 2
211 1 28 SER HA 1 29 LEU H . . 3.180 2.408 2.343 2.482 . 0 0 "[ . 1 . 2]" 2
212 1 28 SER HB2 1 29 LEU H . . 3.920 3.841 3.687 3.931 0.011 20 0 "[ . 1 . 2]" 2
213 1 29 LEU H 1 29 LEU HB2 . . 3.360 2.157 2.143 2.188 . 0 0 "[ . 1 . 2]" 2
214 1 29 LEU H 1 29 LEU MD2 . . 4.280 4.247 4.191 4.284 0.004 18 0 "[ . 1 . 2]" 2
215 1 29 LEU H 1 29 LEU HB3 . . 3.170 2.933 2.887 2.969 . 0 0 "[ . 1 . 2]" 2
216 1 41 ASN HB2 1 42 ALA H . . 4.470 4.114 2.761 4.555 0.085 19 0 "[ . 1 . 2]" 2
217 1 29 LEU H 1 30 LEU HB2 . . 5.060 4.813 4.597 4.924 . 0 0 "[ . 1 . 2]" 2
218 1 41 ASN H 1 42 ALA H . . 3.410 2.218 1.959 2.781 . 0 0 "[ . 1 . 2]" 2
219 1 39 CYS HA 1 42 ALA H . . 4.600 3.763 3.425 4.115 . 0 0 "[ . 1 . 2]" 2
220 1 41 ASN HB3 1 42 ALA H . . 4.470 4.067 3.076 4.495 0.025 20 0 "[ . 1 . 2]" 2
221 1 42 ALA H 1 42 ALA MB . . 3.040 2.247 2.149 2.288 . 0 0 "[ . 1 . 2]" 2
222 1 14 LYS H 1 14 LYS QD . . 4.920 4.104 2.288 4.846 . 0 0 "[ . 1 . 2]" 2
223 1 14 LYS H 1 14 LYS QG . . 4.160 2.954 1.886 4.103 . 0 0 "[ . 1 . 2]" 2
224 1 56 GLU H 1 58 LYS H . . 4.750 4.179 3.820 4.526 . 0 0 "[ . 1 . 2]" 2
225 1 57 LEU H 1 58 LYS H . . 3.400 2.688 2.480 2.856 . 0 0 "[ . 1 . 2]" 2
226 1 52 PHE QD 1 58 LYS H . . 4.360 4.030 3.793 4.385 0.025 16 0 "[ . 1 . 2]" 2
227 1 43 ALA HA 1 58 LYS H . . 5.500 5.414 5.102 5.596 0.096 5 0 "[ . 1 . 2]" 2
228 1 55 PRO HA 1 58 LYS H . . 3.870 3.682 3.452 3.837 . 0 0 "[ . 1 . 2]" 2
229 1 56 GLU HA 1 58 LYS H . . 4.770 4.331 3.755 4.729 . 0 0 "[ . 1 . 2]" 2
230 1 52 PHE HB3 1 58 LYS H . . 4.620 4.000 3.457 4.570 . 0 0 "[ . 1 . 2]" 2
231 1 58 LYS H 1 58 LYS QE . . 5.300 5.028 4.339 5.349 0.049 2 0 "[ . 1 . 2]" 2
232 1 58 LYS H 1 61 HIS QB . . 5.500 4.848 4.650 5.059 . 0 0 "[ . 1 . 2]" 2
233 1 57 LEU HB3 1 58 LYS H . . 4.050 3.284 2.952 3.744 . 0 0 "[ . 1 . 2]" 2
234 1 57 LEU HB2 1 58 LYS H . . 3.650 2.784 2.580 3.155 . 0 0 "[ . 1 . 2]" 2
235 1 58 LYS H 1 58 LYS HB3 . . 4.080 2.402 2.155 2.629 . 0 0 "[ . 1 . 2]" 2
236 1 43 ALA MB 1 58 LYS H . . 4.100 2.910 2.652 3.323 . 0 0 "[ . 1 . 2]" 2
237 1 57 LEU MD2 1 58 LYS H . . 4.990 4.643 4.520 4.783 . 0 0 "[ . 1 . 2]" 2
238 1 15 GLU H 1 16 VAL H . . 4.530 4.371 4.059 4.514 . 0 0 "[ . 1 . 2]" 2
239 1 14 LYS H 1 14 LYS HB2 . . 4.190 2.991 2.174 4.085 . 0 0 "[ . 1 . 2]" 2
240 1 15 GLU H 1 15 GLU QB . . 3.740 2.547 2.156 3.348 . 0 0 "[ . 1 . 2]" 2
241 1 15 GLU H 1 16 VAL MG1 . . 5.390 5.372 5.136 5.408 0.018 15 0 "[ . 1 . 2]" 2
242 1 18 GLN H 1 32 GLN HE21 . . 4.530 4.218 3.993 4.452 . 0 0 "[ . 1 . 2]" 2
243 1 17 TYR QD 1 18 GLN H . . 4.330 4.136 4.076 4.190 . 0 0 "[ . 1 . 2]" 2
244 1 17 TYR HA 1 18 GLN H . . 2.600 2.189 2.153 2.238 . 0 0 "[ . 1 . 2]" 2
245 1 18 GLN H 1 25 LYS HA . . 4.810 4.507 4.455 4.628 . 0 0 "[ . 1 . 2]" 2
246 1 17 TYR HB3 1 18 GLN H . . 3.980 3.859 3.705 3.998 0.018 3 0 "[ . 1 . 2]" 2
247 1 18 GLN H 1 18 GLN HG3 . . 3.980 3.437 3.379 3.513 . 0 0 "[ . 1 . 2]" 2
248 1 18 GLN H 1 18 GLN HB2 . . 3.230 2.230 2.200 2.276 . 0 0 "[ . 1 . 2]" 2
249 1 16 VAL MG1 1 18 GLN H . . 4.790 3.579 3.209 3.823 . 0 0 "[ . 1 . 2]" 2
250 1 43 ALA H 1 52 PHE H . . 4.390 3.374 3.036 3.682 . 0 0 "[ . 1 . 2]" 2
251 1 43 ALA H 1 44 VAL H . . 3.960 3.923 3.748 4.012 0.052 1 0 "[ . 1 . 2]" 2
252 1 42 ALA H 1 43 ALA H . . 3.920 3.065 2.607 3.296 . 0 0 "[ . 1 . 2]" 2
253 1 42 ALA MB 1 43 ALA H . . 3.280 2.268 2.066 2.468 . 0 0 "[ . 1 . 2]" 2
254 1 43 ALA H 1 43 ALA MB . . 3.050 2.550 2.410 2.611 . 0 0 "[ . 1 . 2]" 2
255 1 43 ALA H 1 44 VAL MG2 . . 4.480 3.446 3.265 3.662 . 0 0 "[ . 1 . 2]" 2
256 1 32 GLN HB3 1 33 GLY H . . 3.630 2.389 2.045 2.671 . 0 0 "[ . 1 . 2]" 2
257 1 32 GLN HG2 1 33 GLY H . . 4.470 3.950 3.709 4.249 . 0 0 "[ . 1 . 2]" 2
258 1 32 GLN HG3 1 33 GLY H . . 5.110 4.815 4.584 5.011 . 0 0 "[ . 1 . 2]" 2
259 1 32 GLN HB2 1 33 GLY H . . 4.050 3.628 3.407 3.755 . 0 0 "[ . 1 . 2]" 2
260 1 39 CYS H 1 40 ARG H . . 4.070 2.656 2.463 2.751 . 0 0 "[ . 1 . 2]" 2
261 1 40 ARG H 1 41 ASN H . . 3.580 2.051 1.854 2.434 . 0 0 "[ . 1 . 2]" 2
262 1 39 CYS HA 1 40 ARG H . . 3.310 3.220 3.090 3.399 0.089 12 0 "[ . 1 . 2]" 2
263 1 39 CYS HB2 1 40 ARG H . . 4.530 4.384 4.233 4.497 . 0 0 "[ . 1 . 2]" 2
264 1 40 ARG H 1 42 ALA MB . . 4.680 4.037 3.783 4.354 . 0 0 "[ . 1 . 2]" 2
265 1 40 ARG H 1 42 ALA H . . 4.780 3.285 2.960 4.037 . 0 0 "[ . 1 . 2]" 2
266 1 29 LEU H 1 30 LEU H . . 3.460 2.801 2.639 2.902 . 0 0 "[ . 1 . 2]" 2
267 1 30 LEU H 1 31 GLU H . . 3.420 2.814 2.511 2.966 . 0 0 "[ . 1 . 2]" 2
268 1 28 SER HA 1 30 LEU H . . 4.550 4.327 4.148 4.486 . 0 0 "[ . 1 . 2]" 2
269 1 28 SER HB2 1 30 LEU H . . 4.050 3.671 3.143 4.069 0.019 6 0 "[ . 1 . 2]" 2
270 1 30 LEU H 1 31 GLU HB2 . . 4.990 4.720 4.495 4.832 . 0 0 "[ . 1 . 2]" 2
271 1 30 LEU H 1 30 LEU HB2 . . 2.960 2.216 2.162 2.300 . 0 0 "[ . 1 . 2]" 2
272 1 30 LEU H 1 30 LEU HB3 . . 3.130 2.849 2.741 2.913 . 0 0 "[ . 1 . 2]" 2
273 1 29 LEU HB3 1 30 LEU H . . 3.670 2.700 2.497 3.055 . 0 0 "[ . 1 . 2]" 2
274 1 12 GLU HA 1 13 ASN H . . 3.560 2.318 2.139 2.648 . 0 0 "[ . 1 . 2]" 2
275 1 54 SER HB2 1 57 LEU H . . 4.390 3.403 3.156 4.330 . 0 0 "[ . 1 . 2]" 2
276 1 57 LEU H 1 59 GLN HG3 . . 5.500 5.186 4.581 5.524 0.024 4 0 "[ . 1 . 2]" 2
277 1 56 GLU H 1 57 LEU H . . 3.650 2.472 2.220 2.640 . 0 0 "[ . 1 . 2]" 2
278 1 52 PHE HB3 1 57 LEU H . . 4.900 4.571 4.206 4.761 . 0 0 "[ . 1 . 2]" 2
279 1 56 GLU HB2 1 57 LEU H . . 3.720 3.070 2.718 3.634 . 0 0 "[ . 1 . 2]" 2
280 1 47 TYR H 1 48 CYS H . . 3.240 2.407 2.322 2.468 . 0 0 "[ . 1 . 2]" 2
281 1 47 TYR H 1 49 SER H . . 3.940 2.870 2.808 2.984 . 0 0 "[ . 1 . 2]" 2
282 1 47 TYR H 1 47 TYR QD . . 3.520 3.383 2.642 3.499 . 0 0 "[ . 1 . 2]" 2
283 1 46 PRO HD3 1 47 TYR H . . 4.220 4.088 4.060 4.118 . 0 0 "[ . 1 . 2]" 2
284 1 45 CYS HB3 1 47 TYR H . . 4.290 3.261 3.152 3.360 . 0 0 "[ . 1 . 2]" 2
285 1 47 TYR H 1 47 TYR HB2 . . 3.790 2.541 2.501 2.614 . 0 0 "[ . 1 . 2]" 2
286 1 46 PRO HB2 1 47 TYR H . . 4.320 4.021 3.987 4.056 . 0 0 "[ . 1 . 2]" 2
287 1 46 PRO HG2 1 47 TYR H . . 4.100 3.460 3.390 3.533 . 0 0 "[ . 1 . 2]" 2
288 1 35 HIS H 1 36 GLU H . . 3.430 2.743 2.626 2.809 . 0 0 "[ . 1 . 2]" 2
289 1 35 HIS H 1 37 ARG H . . 4.500 4.204 4.035 4.393 . 0 0 "[ . 1 . 2]" 2
290 1 34 SER QB 1 35 HIS H . . 3.290 2.680 2.210 3.213 . 0 0 "[ . 1 . 2]" 2
291 1 35 HIS H 1 35 HIS HB3 . . 3.150 2.425 2.372 2.482 . 0 0 "[ . 1 . 2]" 2
292 1 35 HIS H 1 35 HIS HB2 . . 3.180 2.647 2.587 2.702 . 0 0 "[ . 1 . 2]" 2
293 1 26 LEU HG 1 35 HIS H . . 4.890 4.670 4.511 4.732 . 0 0 "[ . 1 . 2]" 2
294 1 26 LEU MD1 1 35 HIS H . . 4.350 3.846 3.614 4.044 . 0 0 "[ . 1 . 2]" 2
295 1 26 LEU MD2 1 35 HIS H . . 5.360 5.097 4.955 5.200 . 0 0 "[ . 1 . 2]" 2
296 1 52 PHE H 1 52 PHE QD . . 3.470 2.375 1.920 2.648 . 0 0 "[ . 1 . 2]" 2
297 1 52 PHE H 1 52 PHE QE . . 4.780 4.502 4.165 4.684 . 0 0 "[ . 1 . 2]" 2
298 1 51 ARG HA 1 52 PHE H . . 3.160 2.163 2.155 2.167 . 0 0 "[ . 1 . 2]" 2
299 1 52 PHE H 1 52 PHE HB3 . . 3.830 3.706 3.686 3.725 . 0 0 "[ . 1 . 2]" 2
300 1 52 PHE H 1 52 PHE HB2 . . 3.740 2.548 2.500 2.629 . 0 0 "[ . 1 . 2]" 2
301 1 51 ARG QB 1 52 PHE H . . 3.690 3.560 3.511 3.588 . 0 0 "[ . 1 . 2]" 2
302 1 43 ALA MB 1 52 PHE H . . 3.680 2.433 2.181 2.748 . 0 0 "[ . 1 . 2]" 2
303 1 50 LEU MD2 1 52 PHE H . . 5.320 5.329 5.261 5.356 0.036 11 0 "[ . 1 . 2]" 2
304 1 32 GLN H 1 35 HIS H . . 4.750 4.513 4.380 4.675 . 0 0 "[ . 1 . 2]" 2
305 1 30 LEU H 1 32 GLN H . . 4.310 3.936 3.766 4.013 . 0 0 "[ . 1 . 2]" 2
306 1 32 GLN H 1 34 SER H . . 4.580 3.773 3.605 3.915 . 0 0 "[ . 1 . 2]" 2
307 1 17 TYR HB3 1 32 GLN H . . 5.090 4.949 4.706 5.097 0.007 6 0 "[ . 1 . 2]" 2
308 1 32 GLN H 1 32 GLN HB3 . . 3.270 2.686 2.608 2.759 . 0 0 "[ . 1 . 2]" 2
309 1 31 GLU HB3 1 32 GLN H . . 3.470 3.001 2.874 3.110 . 0 0 "[ . 1 . 2]" 2
310 1 32 GLN H 1 32 GLN HB2 . . 3.210 2.410 2.332 2.471 . 0 0 "[ . 1 . 2]" 2
311 1 26 LEU HG 1 32 GLN H . . 3.910 3.012 2.912 3.130 . 0 0 "[ . 1 . 2]" 2
312 1 29 LEU MD1 1 32 GLN H . . 5.290 5.169 5.057 5.302 0.012 6 0 "[ . 1 . 2]" 2
313 1 28 SER H 1 32 GLN H . . 4.340 4.236 4.092 4.330 . 0 0 "[ . 1 . 2]" 2
314 1 29 LEU HA 1 32 GLN H . . 3.850 3.661 3.561 3.768 . 0 0 "[ . 1 . 2]" 2
315 1 32 GLN H 1 32 GLN HG2 . . 4.560 4.520 4.482 4.562 0.002 16 0 "[ . 1 . 2]" 2
316 1 26 LEU HB3 1 32 GLN H . . 4.670 3.749 3.648 3.894 . 0 0 "[ . 1 . 2]" 2
317 1 29 LEU HB3 1 32 GLN H . . 5.500 5.336 5.239 5.471 . 0 0 "[ . 1 . 2]" 2
318 1 29 LEU HG 1 32 GLN H . . 5.500 5.230 5.093 5.412 . 0 0 "[ . 1 . 2]" 2
319 1 26 LEU MD2 1 32 GLN H . . 4.520 4.344 4.228 4.429 . 0 0 "[ . 1 . 2]" 2
320 1 81 SER H 1 85 ILE H . . 4.440 4.048 3.858 4.326 . 0 0 "[ . 1 . 2]" 2
321 1 79 PHE HB2 1 85 ILE H . . 4.340 3.420 3.030 3.672 . 0 0 "[ . 1 . 2]" 2
322 1 84 SER H 1 85 ILE H . . 3.420 2.825 2.518 3.094 . 0 0 "[ . 1 . 2]" 2
323 1 79 PHE QD 1 85 ILE H . . 4.150 3.619 3.383 3.811 . 0 0 "[ . 1 . 2]" 2
324 1 83 PHE HA 1 85 ILE H . . 5.080 4.910 4.580 5.065 . 0 0 "[ . 1 . 2]" 2
325 1 84 SER QB 1 85 ILE H . . 3.300 2.254 2.065 2.652 . 0 0 "[ . 1 . 2]" 2
326 1 79 PHE HB3 1 85 ILE H . . 4.340 3.386 3.080 3.734 . 0 0 "[ . 1 . 2]" 2
327 1 85 ILE H 1 85 ILE HB . . 3.460 2.577 2.476 2.662 . 0 0 "[ . 1 . 2]" 2
328 1 54 SER HB3 1 57 LEU H . . 4.390 3.259 2.458 4.407 0.017 17 0 "[ . 1 . 2]" 2
329 1 55 PRO HG2 1 57 LEU H . . 5.500 5.127 4.914 5.504 0.004 19 0 "[ . 1 . 2]" 2
330 1 56 GLU HG3 1 57 LEU H . . 5.500 4.934 4.719 5.199 . 0 0 "[ . 1 . 2]" 2
331 1 57 LEU H 1 57 LEU HG . . 3.380 2.903 2.636 3.126 . 0 0 "[ . 1 . 2]" 2
332 1 57 LEU H 1 57 LEU MD2 . . 4.140 3.932 3.706 4.047 . 0 0 "[ . 1 . 2]" 2
333 1 47 TYR H 1 47 TYR QE . . 5.100 4.849 4.634 4.978 . 0 0 "[ . 1 . 2]" 2
334 1 46 PRO HD2 1 47 TYR H . . 3.890 3.112 3.059 3.169 . 0 0 "[ . 1 . 2]" 2
335 1 46 PRO HG3 1 47 TYR H . . 4.820 4.704 4.651 4.761 . 0 0 "[ . 1 . 2]" 2
336 1 25 LYS H 1 26 LEU H . . 4.720 4.546 4.492 4.589 . 0 0 "[ . 1 . 2]" 2
337 1 24 ALA H 1 25 LYS H . . 4.490 4.390 4.294 4.481 . 0 0 "[ . 1 . 2]" 2
338 1 24 ALA HA 1 25 LYS H . . 2.640 2.146 2.140 2.166 . 0 0 "[ . 1 . 2]" 2
339 1 25 LYS H 1 25 LYS QE . . 4.840 4.522 3.860 4.838 . 0 0 "[ . 1 . 2]" 2
340 1 25 LYS H 1 25 LYS HB2 . . 2.950 2.430 2.331 2.561 . 0 0 "[ . 1 . 2]" 2
341 1 25 LYS H 1 25 LYS HG3 . . 3.560 2.340 2.071 2.540 . 0 0 "[ . 1 . 2]" 2
342 1 25 LYS H 1 25 LYS HG2 . . 3.980 3.544 3.201 3.909 . 0 0 "[ . 1 . 2]" 2
343 1 24 ALA MB 1 25 LYS H . . 3.320 3.219 3.056 3.332 0.012 20 0 "[ . 1 . 2]" 2
344 1 97 ASN HB3 1 98 MET H . . 4.430 2.985 2.046 4.228 . 0 0 "[ . 1 . 2]" 2
345 1 97 ASN HB2 1 98 MET H . . 4.430 3.430 2.155 4.225 . 0 0 "[ . 1 . 2]" 2
346 1 98 MET H 1 98 MET HG2 . . 4.260 3.298 1.992 4.183 . 0 0 "[ . 1 . 2]" 2
347 1 98 MET H 1 98 MET ME . . 4.860 3.768 2.379 4.873 0.013 9 0 "[ . 1 . 2]" 2
348 1 98 MET H 1 98 MET HB2 . . 4.110 3.034 2.197 3.943 . 0 0 "[ . 1 . 2]" 2
349 1 10 PRO HA 1 11 VAL H . . 2.790 2.368 2.154 2.605 . 0 0 "[ . 1 . 2]" 2
350 1 10 PRO HB2 1 11 VAL H . . 4.470 2.866 2.141 4.047 . 0 0 "[ . 1 . 2]" 2
351 1 11 VAL H 1 11 VAL HB . . 4.000 3.227 2.501 3.899 . 0 0 "[ . 1 . 2]" 2
352 1 10 PRO HB3 1 11 VAL H . . 4.470 3.624 3.236 4.375 . 0 0 "[ . 1 . 2]" 2
353 1 31 GLU H 1 32 GLN H . . 3.320 2.799 2.646 2.876 . 0 0 "[ . 1 . 2]" 2
354 1 28 SER HB2 1 31 GLU H . . 4.130 3.213 2.855 4.148 0.018 6 0 "[ . 1 . 2]" 2
355 1 31 GLU H 1 31 GLU HB2 . . 3.200 2.150 2.127 2.194 . 0 0 "[ . 1 . 2]" 2
356 1 30 LEU HB2 1 31 GLU H . . 3.510 3.419 3.312 3.525 0.015 2 0 "[ . 1 . 2]" 2
357 1 30 LEU HB3 1 31 GLU H . . 3.590 2.244 2.092 2.554 . 0 0 "[ . 1 . 2]" 2
358 1 51 ARG H 1 51 ARG QD . . 5.200 4.847 4.531 5.096 . 0 0 "[ . 1 . 2]" 2
359 1 51 ARG H 1 51 ARG QB . . 2.900 2.795 2.755 2.844 . 0 0 "[ . 1 . 2]" 2
360 1 51 ARG H 1 51 ARG HG3 . . 3.850 3.378 3.184 3.718 . 0 0 "[ . 1 . 2]" 2
361 1 50 LEU HB3 1 51 ARG H . . 4.190 1.999 1.955 2.056 . 0 0 "[ . 1 . 2]" 2
362 1 55 PRO HA 1 59 GLN H . . 5.140 4.563 4.150 5.005 . 0 0 "[ . 1 . 2]" 2
363 1 56 GLU HA 1 59 GLN H . . 3.750 3.445 3.193 3.706 . 0 0 "[ . 1 . 2]" 2
364 1 59 GLN H 1 59 GLN HG2 . . 3.560 3.180 2.640 3.551 . 0 0 "[ . 1 . 2]" 2
365 1 59 GLN H 1 59 GLN QB . . 3.080 2.431 2.292 2.630 . 0 0 "[ . 1 . 2]" 2
366 1 58 LYS HB2 1 59 GLN H . . 4.160 3.909 3.574 4.187 0.027 4 0 "[ . 1 . 2]" 2
367 1 58 LYS HB3 1 59 GLN H . . 4.160 2.956 2.276 3.905 . 0 0 "[ . 1 . 2]" 2
368 1 59 GLN H 1 62 GLU H . . 4.990 4.840 4.637 4.964 . 0 0 "[ . 1 . 2]" 2
369 1 59 GLN H 1 61 HIS QB . . 5.500 4.865 4.553 5.113 . 0 0 "[ . 1 . 2]" 2
370 1 58 LYS QG 1 59 GLN H . . 4.370 3.328 1.888 4.163 . 0 0 "[ . 1 . 2]" 2
371 1 44 VAL H 1 45 CYS H . . 4.510 4.139 3.963 4.333 . 0 0 "[ . 1 . 2]" 2
372 1 44 VAL H 1 45 CYS HA . . 5.470 4.829 4.680 4.964 . 0 0 "[ . 1 . 2]" 2
373 1 44 VAL H 1 51 ARG HA . . 5.500 4.988 4.871 5.068 . 0 0 "[ . 1 . 2]" 2
374 1 43 ALA HA 1 44 VAL H . . 3.040 2.192 2.161 2.240 . 0 0 "[ . 1 . 2]" 2
375 1 44 VAL H 1 55 PRO HA . . 5.260 5.160 4.861 5.280 0.020 1 0 "[ . 1 . 2]" 2
376 1 44 VAL H 1 58 LYS QE . . 4.160 3.714 2.933 4.183 0.023 20 0 "[ . 1 . 2]" 2
377 1 44 VAL H 1 44 VAL HB . . 3.250 2.623 2.552 2.703 . 0 0 "[ . 1 . 2]" 2
378 1 15 GLU HA 1 16 VAL H . . 2.420 2.153 2.139 2.226 . 0 0 "[ . 1 . 2]" 2
379 1 58 LYS HA 1 60 GLU H . . 4.740 4.411 4.014 4.707 . 0 0 "[ . 1 . 2]" 2
380 1 16 VAL H 1 16 VAL MG1 . . 2.900 2.233 1.971 2.444 . 0 0 "[ . 1 . 2]" 2
381 1 16 VAL H 1 17 TYR QD . . 4.930 4.712 4.111 4.860 . 0 0 "[ . 1 . 2]" 2
382 1 51 ARG H 1 52 PHE QE . . 5.230 3.981 3.694 4.240 . 0 0 "[ . 1 . 2]" 2
383 1 50 LEU HA 1 51 ARG H . . 2.850 2.637 2.605 2.657 . 0 0 "[ . 1 . 2]" 2
384 1 60 GLU H 1 61 HIS QB . . 4.640 4.409 4.264 4.540 . 0 0 "[ . 1 . 2]" 2
385 1 59 GLN QB 1 60 GLU H . . 3.220 2.437 2.249 2.756 . 0 0 "[ . 1 . 2]" 2
386 1 57 LEU MD2 1 60 GLU H . . 5.270 5.124 4.798 5.306 0.036 16 0 "[ . 1 . 2]" 2
387 1 62 GLU H 1 64 LYS H . . 4.620 4.339 4.187 4.521 . 0 0 "[ . 1 . 2]" 2
388 1 61 HIS HD2 1 62 GLU H . . 4.240 2.980 2.884 3.103 . 0 0 "[ . 1 . 2]" 2
389 1 58 LYS HA 1 62 GLU H . . 4.280 3.865 3.582 4.086 . 0 0 "[ . 1 . 2]" 2
390 1 62 GLU H 1 62 GLU QG . . 3.640 2.735 2.659 2.878 . 0 0 "[ . 1 . 2]" 2
391 1 62 GLU H 1 62 GLU HB2 . . 3.360 2.271 2.196 2.318 . 0 0 "[ . 1 . 2]" 2
392 1 73 LEU H 1 74 GLU H . . 3.630 2.864 2.678 3.066 . 0 0 "[ . 1 . 2]" 2
393 1 72 CYS HA 1 74 GLU H . . 4.340 3.434 3.225 3.620 . 0 0 "[ . 1 . 2]" 2
394 1 74 GLU H 1 74 GLU QG . . 3.730 2.762 1.906 3.850 0.120 14 0 "[ . 1 . 2]" 2
395 1 73 LEU HB2 1 74 GLU H . . 3.990 2.748 2.483 3.068 . 0 0 "[ . 1 . 2]" 2
396 1 96 ASN H 1 96 ASN HB2 . . 3.780 3.263 2.202 3.844 0.064 18 0 "[ . 1 . 2]" 2
397 1 96 ASN H 1 96 ASN HB3 . . 3.780 2.959 2.376 3.683 . 0 0 "[ . 1 . 2]" 2
398 1 95 GLN QG 1 96 ASN H . . 4.690 4.407 4.009 4.721 0.031 10 0 "[ . 1 . 2]" 2
399 1 95 GLN HB2 1 96 ASN H . . 4.720 4.081 2.362 4.608 . 0 0 "[ . 1 . 2]" 2
400 1 95 GLN HB3 1 96 ASN H . . 4.720 3.747 2.331 4.337 . 0 0 "[ . 1 . 2]" 2
401 1 89 GLN H 1 90 VAL HA . . 4.870 4.867 4.857 4.892 0.022 2 0 "[ . 1 . 2]" 2
402 1 20 ARG H 1 22 CYS H . . 4.860 4.631 4.596 4.692 . 0 0 "[ . 1 . 2]" 2
403 1 22 CYS H 1 23 ASN H . . 3.070 1.917 1.798 2.268 . 0 0 "[ . 1 . 2]" 2
404 1 22 CYS H 1 22 CYS HB2 . . 3.860 3.758 3.727 3.787 . 0 0 "[ . 1 . 2]" 2
405 1 19 CYS HB3 1 22 CYS H . . 3.820 2.656 2.447 2.723 . 0 0 "[ . 1 . 2]" 2
406 1 22 CYS H 1 22 CYS HB3 . . 3.610 3.177 3.109 3.218 . 0 0 "[ . 1 . 2]" 2
407 1 21 LEU HB2 1 22 CYS H . . 3.490 2.449 2.301 2.522 . 0 0 "[ . 1 . 2]" 2
408 1 21 LEU HG 1 22 CYS H . . 4.260 3.947 3.817 4.010 . 0 0 "[ . 1 . 2]" 2
409 1 21 LEU HB3 1 22 CYS H . . 3.750 3.717 3.587 3.778 0.028 5 0 "[ . 1 . 2]" 2
410 1 89 GLN H 1 90 VAL H . . 3.730 2.165 2.153 2.194 . 0 0 "[ . 1 . 2]" 2
411 1 88 HIS HD2 1 89 GLN H . . 4.250 3.942 3.760 4.112 . 0 0 "[ . 1 . 2]" 2
412 1 86 TRP HA 1 89 GLN H . . 4.340 3.532 3.408 3.687 . 0 0 "[ . 1 . 2]" 2
413 1 85 ILE HA 1 89 GLN H . . 4.680 4.470 4.210 4.612 . 0 0 "[ . 1 . 2]" 2
414 1 88 HIS HB3 1 89 GLN H . . 3.930 3.095 3.034 3.189 . 0 0 "[ . 1 . 2]" 2
415 1 89 GLN H 1 89 GLN HG2 . . 3.690 3.636 3.444 3.701 0.011 10 0 "[ . 1 . 2]" 2
416 1 89 GLN H 1 89 GLN HG3 . . 3.780 2.575 2.270 2.962 . 0 0 "[ . 1 . 2]" 2
417 1 89 GLN H 1 89 GLN HB2 . . 3.640 2.505 2.377 2.647 . 0 0 "[ . 1 . 2]" 2
418 1 89 GLN H 1 89 GLN HB3 . . 3.870 3.660 3.616 3.680 . 0 0 "[ . 1 . 2]" 2
419 1 89 GLN H 1 90 VAL HB . . 4.630 4.347 4.298 4.439 . 0 0 "[ . 1 . 2]" 2
420 1 62 GLU HA 1 64 LYS H . . 4.540 4.313 4.025 4.527 . 0 0 "[ . 1 . 2]" 2
421 1 64 LYS H 1 65 CYS HB3 . . 4.900 4.736 4.473 4.874 . 0 0 "[ . 1 . 2]" 2
422 1 64 LYS H 1 64 LYS HB2 . . 3.780 3.641 2.874 3.721 . 0 0 "[ . 1 . 2]" 2
423 1 64 LYS H 1 65 CYS H . . 2.890 2.511 2.152 2.682 . 0 0 "[ . 1 . 2]" 2
424 1 61 HIS HA 1 64 LYS H . . 3.790 3.268 3.061 3.471 . 0 0 "[ . 1 . 2]" 2
425 1 63 SER QB 1 64 LYS H . . 3.830 2.644 2.482 3.331 . 0 0 "[ . 1 . 2]" 2
426 1 64 LYS H 1 65 CYS HB2 . . 4.540 4.305 4.197 4.475 . 0 0 "[ . 1 . 2]" 2
427 1 64 LYS H 1 64 LYS QG . . 3.360 1.923 1.774 2.360 . 0 0 "[ . 1 . 2]" 2
428 1 52 PHE HA 1 53 PHE H . . 3.490 2.417 2.203 2.647 . 0 0 "[ . 1 . 2]" 2
429 1 54 SER HA 1 56 GLU H . . 4.580 4.046 3.842 4.222 . 0 0 "[ . 1 . 2]" 2
430 1 54 SER HB2 1 56 GLU H . . 4.450 3.660 2.701 4.215 . 0 0 "[ . 1 . 2]" 2
431 1 55 PRO HG2 1 56 GLU H . . 3.800 2.698 2.379 3.292 . 0 0 "[ . 1 . 2]" 2
432 1 56 GLU H 1 56 GLU HB3 . . 3.510 3.399 2.814 3.517 0.007 18 0 "[ . 1 . 2]" 2
433 1 56 GLU H 1 56 GLU HB2 . . 3.260 2.219 2.178 2.290 . 0 0 "[ . 1 . 2]" 2
434 1 97 ASN H 1 97 ASN HB2 . . 3.790 2.707 2.180 3.677 . 0 0 "[ . 1 . 2]" 2
435 1 96 ASN H 1 97 ASN H . . 4.140 3.375 1.823 4.155 0.015 6 0 "[ . 1 . 2]" 2
436 1 95 GLN HA 1 97 ASN H . . 4.980 4.291 3.474 4.945 . 0 0 "[ . 1 . 2]" 2
437 1 97 ASN H 1 97 ASN HB3 . . 3.790 2.871 2.214 3.626 . 0 0 "[ . 1 . 2]" 2
438 1 52 PHE HB3 1 53 PHE H . . 3.730 2.445 1.988 3.019 . 0 0 "[ . 1 . 2]" 2
439 1 55 PRO HB3 1 56 GLU H . . 4.510 4.276 4.146 4.489 . 0 0 "[ . 1 . 2]" 2
440 1 35 HIS HB3 1 36 GLU H . . 3.650 3.049 2.968 3.153 . 0 0 "[ . 1 . 2]" 2
441 1 36 GLU H 1 36 GLU HG2 . . 3.920 3.673 3.173 3.926 0.006 5 0 "[ . 1 . 2]" 2
442 1 36 GLU H 1 36 GLU HG3 . . 3.920 3.101 2.753 4.018 0.098 20 0 "[ . 1 . 2]" 2
443 1 36 GLU H 1 36 GLU HB3 . . 3.580 3.513 3.467 3.545 . 0 0 "[ . 1 . 2]" 2
444 1 36 GLU H 1 36 GLU HB2 . . 3.560 2.220 2.162 2.271 . 0 0 "[ . 1 . 2]" 2
445 1 36 GLU H 1 38 LEU HG . . 5.000 4.603 4.372 4.861 . 0 0 "[ . 1 . 2]" 2
446 1 89 GLN HB2 1 95 GLN H . . 4.980 4.429 4.153 4.747 . 0 0 "[ . 1 . 2]" 2
447 1 95 GLN H 1 96 ASN H . . 4.460 3.637 2.307 4.398 . 0 0 "[ . 1 . 2]" 2
448 1 91 GLU H 1 95 GLN H . . 5.500 5.120 4.818 5.463 . 0 0 "[ . 1 . 2]" 2
449 1 93 HIS H 1 95 GLN H . . 4.830 4.525 4.243 4.660 . 0 0 "[ . 1 . 2]" 2
450 1 93 HIS HA 1 95 GLN H . . 5.110 5.032 4.582 5.151 0.041 8 0 "[ . 1 . 2]" 2
451 1 94 ASN HA 1 95 GLN H . . 3.340 2.650 2.616 2.826 . 0 0 "[ . 1 . 2]" 2
452 1 90 VAL HA 1 95 GLN H . . 3.210 2.320 2.116 2.860 . 0 0 "[ . 1 . 2]" 2
453 1 93 HIS HB2 1 95 GLN H . . 4.610 3.319 3.044 3.438 . 0 0 "[ . 1 . 2]" 2
454 1 94 ASN HB2 1 95 GLN H . . 4.670 4.496 4.290 4.658 . 0 0 "[ . 1 . 2]" 2
455 1 95 GLN H 1 95 GLN QG . . 3.650 3.264 2.106 3.462 . 0 0 "[ . 1 . 2]" 2
456 1 89 GLN HB3 1 95 GLN H . . 4.080 3.720 3.387 3.919 . 0 0 "[ . 1 . 2]" 2
457 1 95 GLN H 1 95 GLN HB3 . . 3.980 3.530 3.041 3.637 . 0 0 "[ . 1 . 2]" 2
458 1 90 VAL MG1 1 95 GLN H . . 4.590 4.169 3.984 4.601 0.011 19 0 "[ . 1 . 2]" 2
459 1 90 VAL MG2 1 95 GLN H . . 4.370 3.418 3.095 3.938 . 0 0 "[ . 1 . 2]" 2
460 1 89 GLN HG2 1 90 VAL H . . 5.240 5.060 4.931 5.144 . 0 0 "[ . 1 . 2]" 2
461 1 89 GLN HB3 1 90 VAL H . . 4.230 4.016 3.670 4.138 . 0 0 "[ . 1 . 2]" 2
462 1 90 VAL H 1 91 GLU H . . 3.700 2.199 2.139 2.347 . 0 0 "[ . 1 . 2]" 2
463 1 87 ARG HA 1 90 VAL H . . 4.230 3.146 3.076 3.248 . 0 0 "[ . 1 . 2]" 2
464 1 89 GLN HG3 1 90 VAL H . . 4.740 4.401 4.130 4.646 . 0 0 "[ . 1 . 2]" 2
465 1 89 GLN HB2 1 90 VAL H . . 3.950 3.069 2.823 3.214 . 0 0 "[ . 1 . 2]" 2
466 1 90 VAL H 1 90 VAL HB . . 3.370 2.453 2.411 2.532 . 0 0 "[ . 1 . 2]" 2
467 1 90 VAL H 1 90 VAL MG1 . . 3.800 3.766 3.746 3.801 0.001 1 0 "[ . 1 . 2]" 2
468 1 69 LYS HB2 1 70 LEU H . . 4.860 3.673 2.203 4.075 . 0 0 "[ . 1 . 2]" 2
469 1 67 TYR HA 1 70 LEU H . . 4.410 3.219 2.833 3.393 . 0 0 "[ . 1 . 2]" 2
470 1 70 LEU H 1 70 LEU MD1 . . 4.570 3.652 3.454 3.932 . 0 0 "[ . 1 . 2]" 2
471 1 67 TYR H 1 68 LYS HA . . 5.230 4.972 4.743 5.151 . 0 0 "[ . 1 . 2]" 2
472 1 66 GLU H 1 67 TYR H . . 3.800 2.585 2.191 2.880 . 0 0 "[ . 1 . 2]" 2
473 1 67 TYR H 1 68 LYS H . . 3.330 2.423 2.220 2.602 . 0 0 "[ . 1 . 2]" 2
474 1 67 TYR H 1 69 LYS H . . 5.020 4.714 4.225 4.945 . 0 0 "[ . 1 . 2]" 2
475 1 67 TYR H 1 67 TYR QD . . 3.370 2.510 2.069 2.804 . 0 0 "[ . 1 . 2]" 2
476 1 65 CYS HA 1 67 TYR H . . 4.300 3.704 3.458 4.102 . 0 0 "[ . 1 . 2]" 2
477 1 67 TYR H 1 67 TYR HB2 . . 3.650 2.244 2.146 2.442 . 0 0 "[ . 1 . 2]" 2
478 1 67 TYR H 1 67 TYR HB3 . . 3.650 3.521 3.453 3.622 . 0 0 "[ . 1 . 2]" 2
479 1 65 CYS HB2 1 67 TYR H . . 5.500 4.558 4.346 4.826 . 0 0 "[ . 1 . 2]" 2
480 1 66 GLU HB2 1 67 TYR H . . 4.150 3.887 3.557 4.147 . 0 0 "[ . 1 . 2]" 2
481 1 67 TYR H 1 68 LYS HB3 . . 5.290 4.628 4.407 4.854 . 0 0 "[ . 1 . 2]" 2
482 1 67 TYR H 1 68 LYS HB2 . . 5.290 4.753 4.504 5.007 . 0 0 "[ . 1 . 2]" 2
483 1 75 CYS H 1 76 MET H . . 3.630 2.588 2.330 2.798 . 0 0 "[ . 1 . 2]" 2
484 1 75 CYS HB3 1 76 MET H . . 4.770 4.587 4.531 4.645 . 0 0 "[ . 1 . 2]" 2
485 1 76 MET H 1 76 MET HG3 . . 4.340 4.041 3.710 4.201 . 0 0 "[ . 1 . 2]" 2
486 1 71 THR MG 1 76 MET H . . 4.990 4.450 4.163 4.758 . 0 0 "[ . 1 . 2]" 2
487 1 61 HIS H 1 62 GLU H . . 3.390 2.819 2.679 3.017 . 0 0 "[ . 1 . 2]" 2
488 1 59 GLN H 1 61 HIS H . . 4.780 4.285 3.895 4.672 . 0 0 "[ . 1 . 2]" 2
489 1 61 HIS H 1 61 HIS HD2 . . 4.930 4.756 4.675 4.880 . 0 0 "[ . 1 . 2]" 2
490 1 52 PHE QE 1 61 HIS H . . 5.390 5.072 4.343 5.400 0.010 13 0 "[ . 1 . 2]" 2
491 1 61 HIS H 1 62 GLU QG . . 5.500 5.192 4.967 5.444 . 0 0 "[ . 1 . 2]" 2
492 1 60 GLU H 1 61 HIS H . . 3.350 2.720 2.546 2.909 . 0 0 "[ . 1 . 2]" 2
493 1 61 HIS H 1 62 GLU HA . . 5.500 5.359 5.242 5.521 0.021 6 0 "[ . 1 . 2]" 2
494 1 58 LYS HA 1 61 HIS H . . 3.710 3.345 3.137 3.572 . 0 0 "[ . 1 . 2]" 2
495 1 60 GLU HG2 1 61 HIS H . . 4.970 3.959 2.833 4.980 0.010 3 0 "[ . 1 . 2]" 2
496 1 61 HIS H 1 62 GLU HB2 . . 5.500 4.541 4.378 4.748 . 0 0 "[ . 1 . 2]" 2
497 1 60 GLU QB 1 61 HIS H . . 3.590 2.773 2.174 3.539 . 0 0 "[ . 1 . 2]" 2
498 1 38 LEU HA 1 41 ASN H . . 4.770 3.306 3.122 3.624 . 0 0 "[ . 1 . 2]" 2
499 1 40 ARG HB2 1 41 ASN H . . 4.410 3.532 2.889 4.224 . 0 0 "[ . 1 . 2]" 2
500 1 40 ARG HB3 1 41 ASN H . . 4.410 3.126 2.551 4.016 . 0 0 "[ . 1 . 2]" 2
501 1 41 ASN H 1 41 ASN HB2 . . 3.940 3.436 2.617 3.870 . 0 0 "[ . 1 . 2]" 2
502 1 41 ASN H 1 41 ASN HB3 . . 3.940 2.968 2.247 3.872 . 0 0 "[ . 1 . 2]" 2
503 1 40 ARG QG 1 41 ASN H . . 4.470 4.014 2.298 4.440 . 0 0 "[ . 1 . 2]" 2
504 1 34 SER H 1 36 GLU H . . 4.460 3.632 3.485 3.775 . 0 0 "[ . 1 . 2]" 2
505 1 34 SER H 1 35 HIS H . . 3.160 2.416 2.274 2.513 . 0 0 "[ . 1 . 2]" 2
506 1 33 GLY H 1 34 SER H . . 3.290 2.610 2.448 2.770 . 0 0 "[ . 1 . 2]" 2
507 1 31 GLU HA 1 34 SER H . . 3.650 3.569 3.351 3.699 0.049 20 0 "[ . 1 . 2]" 2
508 1 33 GLY QA 1 34 SER H . . 3.210 2.837 2.775 2.878 . 0 0 "[ . 1 . 2]" 2
509 1 34 SER H 1 34 SER QB . . 3.310 2.395 2.190 2.930 . 0 0 "[ . 1 . 2]" 2
510 1 34 SER H 1 35 HIS HB3 . . 4.510 4.340 4.235 4.437 . 0 0 "[ . 1 . 2]" 2
511 1 34 SER H 1 35 HIS HB2 . . 5.030 4.937 4.851 5.035 0.005 7 0 "[ . 1 . 2]" 2
512 1 21 LEU HB2 1 23 ASN H . . 4.760 4.279 4.212 4.389 . 0 0 "[ . 1 . 2]" 2
513 1 23 ASN H 1 24 ALA MB . . 4.670 4.234 4.103 4.460 . 0 0 "[ . 1 . 2]" 2
514 1 23 ASN H 1 24 ALA H . . 3.410 2.718 2.592 3.087 . 0 0 "[ . 1 . 2]" 2
515 1 23 ASN H 1 23 ASN HA . . 2.830 2.280 2.274 2.306 . 0 0 "[ . 1 . 2]" 2
516 1 22 CYS HB2 1 23 ASN H . . 4.360 4.198 4.086 4.388 0.028 7 0 "[ . 1 . 2]" 2
517 1 19 CYS HB3 1 23 ASN H . . 3.750 2.615 2.359 2.924 . 0 0 "[ . 1 . 2]" 2
518 1 23 ASN H 1 23 ASN QB . . 3.560 3.332 2.943 3.456 . 0 0 "[ . 1 . 2]" 2
519 1 88 HIS H 1 89 GLN H . . 3.510 2.539 2.483 2.608 . 0 0 "[ . 1 . 2]" 2
520 1 88 HIS H 1 91 GLU H . . 4.730 4.578 4.537 4.631 . 0 0 "[ . 1 . 2]" 2
521 1 87 ARG H 1 88 HIS H . . 3.520 2.590 2.484 2.670 . 0 0 "[ . 1 . 2]" 2
522 1 86 TRP H 1 88 HIS H . . 4.380 4.151 3.999 4.269 . 0 0 "[ . 1 . 2]" 2
523 1 79 PHE QE 1 88 HIS H . . 4.570 4.538 4.404 4.588 0.018 4 0 "[ . 1 . 2]" 2
524 1 86 TRP HA 1 88 HIS H . . 4.730 4.321 4.162 4.509 . 0 0 "[ . 1 . 2]" 2
525 1 86 TRP HB3 1 88 HIS H . . 4.900 4.856 4.763 4.921 0.021 15 0 "[ . 1 . 2]" 2
526 1 85 ILE HA 1 88 HIS H . . 3.620 3.103 3.020 3.162 . 0 0 "[ . 1 . 2]" 2
527 1 88 HIS H 1 88 HIS HB3 . . 3.140 2.260 2.250 2.276 . 0 0 "[ . 1 . 2]" 2
528 1 88 HIS H 1 88 HIS HB2 . . 3.240 2.862 2.822 2.894 . 0 0 "[ . 1 . 2]" 2
529 1 88 HIS H 1 89 GLN HB2 . . 4.870 4.821 4.705 4.943 0.073 18 0 "[ . 1 . 2]" 2
530 1 87 ARG QB 1 88 HIS H . . 3.450 2.701 2.565 2.821 . 0 0 "[ . 1 . 2]" 2
531 1 85 ILE HG12 1 88 HIS H . . 4.730 4.626 4.428 4.725 . 0 0 "[ . 1 . 2]" 2
532 1 85 ILE HG13 1 88 HIS H . . 4.730 4.461 4.316 4.704 . 0 0 "[ . 1 . 2]" 2
533 1 38 LEU H 1 40 ARG H . . 4.510 3.888 3.596 4.051 . 0 0 "[ . 1 . 2]" 2
534 1 38 LEU H 1 39 CYS H . . 3.090 2.323 2.080 2.433 . 0 0 "[ . 1 . 2]" 2
535 1 38 LEU H 1 39 CYS HA . . 5.040 4.992 4.780 5.077 0.037 20 0 "[ . 1 . 2]" 2
536 1 38 LEU H 1 38 LEU HG . . 2.980 1.957 1.872 2.040 . 0 0 "[ . 1 . 2]" 2
537 1 38 LEU H 1 38 LEU HB3 . . 3.500 3.094 3.033 3.255 . 0 0 "[ . 1 . 2]" 2
538 1 38 LEU H 1 38 LEU MD2 . . 3.590 2.062 1.906 2.198 . 0 0 "[ . 1 . 2]" 2
539 1 91 GLU H 1 93 HIS H . . 4.880 4.172 3.935 4.335 . 0 0 "[ . 1 . 2]" 2
540 1 88 HIS HA 1 91 GLU H . . 4.500 3.703 3.657 3.778 . 0 0 "[ . 1 . 2]" 2
541 1 91 GLU H 1 91 GLU HB3 . . 3.860 3.629 3.616 3.641 . 0 0 "[ . 1 . 2]" 2
542 1 90 VAL HB 1 91 GLU H . . 3.600 3.013 2.832 3.093 . 0 0 "[ . 1 . 2]" 2
543 1 90 VAL MG2 1 91 GLU H . . 4.150 4.030 3.903 4.094 . 0 0 "[ . 1 . 2]" 2
544 1 71 THR H 1 71 THR HG1 . . 4.330 3.484 2.587 4.076 . 0 0 "[ . 1 . 2]" 2
545 1 70 LEU MD2 1 71 THR H . . 4.740 4.711 4.611 4.770 0.030 15 0 "[ . 1 . 2]" 2
546 1 70 LEU H 1 71 THR H . . 3.430 2.664 2.345 2.906 . 0 0 "[ . 1 . 2]" 2
547 1 71 THR H 1 71 THR HB . . 3.240 2.585 2.396 2.727 . 0 0 "[ . 1 . 2]" 2
548 1 70 LEU HB2 1 71 THR H . . 4.680 3.562 3.119 4.043 . 0 0 "[ . 1 . 2]" 2
549 1 70 LEU HB3 1 71 THR H . . 4.680 4.213 3.841 4.470 . 0 0 "[ . 1 . 2]" 2
550 1 70 LEU HG 1 71 THR H . . 4.970 4.719 4.201 5.004 0.034 18 0 "[ . 1 . 2]" 2
551 1 91 GLU H 1 94 ASN H . . 4.420 3.747 3.607 3.989 . 0 0 "[ . 1 . 2]" 2
552 1 93 HIS H 1 94 ASN H . . 3.150 2.470 2.357 2.608 . 0 0 "[ . 1 . 2]" 2
553 1 94 ASN H 1 94 ASN HA . . 2.810 2.284 2.273 2.324 . 0 0 "[ . 1 . 2]" 2
554 1 89 GLN HA 1 94 ASN H . . 4.420 3.811 3.640 4.234 . 0 0 "[ . 1 . 2]" 2
555 1 90 VAL HA 1 94 ASN H . . 3.820 3.062 2.808 3.510 . 0 0 "[ . 1 . 2]" 2
556 1 93 HIS HB2 1 94 ASN H . . 4.130 3.098 2.805 3.687 . 0 0 "[ . 1 . 2]" 2
557 1 94 ASN H 1 94 ASN HB2 . . 3.970 3.410 2.937 3.962 . 0 0 "[ . 1 . 2]" 2
558 1 92 VAL HB 1 94 ASN H . . 4.800 4.262 4.187 4.402 . 0 0 "[ . 1 . 2]" 2
559 1 90 VAL MG1 1 94 ASN H . . 4.830 4.561 4.428 4.806 . 0 0 "[ . 1 . 2]" 2
560 1 65 CYS HA 1 66 GLU H . . 3.410 2.162 2.140 2.258 . 0 0 "[ . 1 . 2]" 2
561 1 65 CYS HB3 1 66 GLU H . . 4.870 4.251 3.846 4.464 . 0 0 "[ . 1 . 2]" 2
562 1 65 CYS HB2 1 66 GLU H . . 4.830 4.255 4.032 4.421 . 0 0 "[ . 1 . 2]" 2
563 1 66 GLU H 1 66 GLU HB2 . . 3.720 3.597 3.564 3.669 . 0 0 "[ . 1 . 2]" 2
564 1 69 LYS HA 1 71 THR H . . 4.100 3.621 3.468 3.853 . 0 0 "[ . 1 . 2]" 2
565 1 68 LYS HA 1 71 THR H . . 4.530 3.837 3.430 4.331 . 0 0 "[ . 1 . 2]" 2
566 1 72 CYS HB2 1 73 LEU H . . 4.560 4.616 4.530 4.661 0.101 17 0 "[ . 1 . 2]" 2
567 1 73 LEU H 1 73 LEU HB3 . . 3.920 3.582 3.569 3.595 . 0 0 "[ . 1 . 2]" 2
568 1 71 THR MG 1 73 LEU H . . 4.740 3.572 3.052 4.024 . 0 0 "[ . 1 . 2]" 2
569 1 73 LEU H 1 73 LEU HG . . 3.210 1.947 1.888 2.079 . 0 0 "[ . 1 . 2]" 2
570 1 73 LEU H 1 85 ILE MD . . 4.930 4.474 4.139 4.889 . 0 0 "[ . 1 . 2]" 2
571 1 72 CYS HA 1 73 LEU H . . 3.260 2.311 2.206 2.399 . 0 0 "[ . 1 . 2]" 2
572 1 92 VAL H 1 94 ASN H . . 4.360 3.220 3.005 3.374 . 0 0 "[ . 1 . 2]" 2
573 1 92 VAL H 1 93 HIS H . . 3.230 2.608 2.419 2.686 . 0 0 "[ . 1 . 2]" 2
574 1 92 VAL H 1 93 HIS HD2 . . 4.950 4.384 4.102 4.896 . 0 0 "[ . 1 . 2]" 2
575 1 88 HIS HA 1 92 VAL H . . 4.250 3.503 3.339 3.831 . 0 0 "[ . 1 . 2]" 2
576 1 90 VAL HA 1 92 VAL H . . 4.790 4.691 4.463 4.812 0.022 5 0 "[ . 1 . 2]" 2
577 1 91 GLU HG2 1 92 VAL H . . 4.990 4.829 4.798 4.888 . 0 0 "[ . 1 . 2]" 2
578 1 91 GLU HG3 1 92 VAL H . . 4.630 4.436 4.362 4.575 . 0 0 "[ . 1 . 2]" 2
579 1 91 GLU HB2 1 92 VAL H . . 3.700 2.676 2.569 2.873 . 0 0 "[ . 1 . 2]" 2
580 1 92 VAL H 1 92 VAL HB . . 3.220 2.609 2.566 2.660 . 0 0 "[ . 1 . 2]" 2
581 1 92 VAL H 1 92 VAL MG1 . . 4.020 3.812 3.799 3.836 . 0 0 "[ . 1 . 2]" 2
582 1 90 VAL H 1 92 VAL H . . 4.740 3.781 3.572 3.909 . 0 0 "[ . 1 . 2]" 2
583 1 37 ARG H 1 38 LEU H . . 3.180 2.561 2.432 2.656 . 0 0 "[ . 1 . 2]" 2
584 1 36 GLU HB2 1 37 ARG H . . 3.810 3.123 2.922 3.367 . 0 0 "[ . 1 . 2]" 2
585 1 37 ARG H 1 37 ARG HG3 . . 4.100 3.066 2.728 3.899 . 0 0 "[ . 1 . 2]" 2
586 1 36 GLU H 1 37 ARG H . . 3.330 2.451 2.312 2.541 . 0 0 "[ . 1 . 2]" 2
587 1 37 ARG H 1 40 ARG H . . 5.440 5.059 4.590 5.331 . 0 0 "[ . 1 . 2]" 2
588 1 37 ARG H 1 39 CYS H . . 4.020 3.745 3.555 3.910 . 0 0 "[ . 1 . 2]" 2
589 1 34 SER HA 1 37 ARG H . . 3.890 3.322 3.168 3.454 . 0 0 "[ . 1 . 2]" 2
590 1 35 HIS HA 1 37 ARG H . . 4.360 3.947 3.733 4.123 . 0 0 "[ . 1 . 2]" 2
591 1 35 HIS HB3 1 37 ARG H . . 5.220 5.116 4.971 5.280 0.060 10 0 "[ . 1 . 2]" 2
592 1 36 GLU HB3 1 37 ARG H . . 4.140 3.693 3.487 3.875 . 0 0 "[ . 1 . 2]" 2
593 1 37 ARG H 1 37 ARG HG2 . . 4.100 3.741 2.737 4.147 0.047 6 0 "[ . 1 . 2]" 2
594 1 37 ARG H 1 38 LEU HG . . 4.390 3.862 3.743 3.975 . 0 0 "[ . 1 . 2]" 2
595 1 37 ARG H 1 38 LEU MD2 . . 4.620 3.305 3.121 3.424 . 0 0 "[ . 1 . 2]" 2
596 1 19 CYS H 1 20 ARG H . . 4.760 4.572 4.556 4.592 . 0 0 "[ . 1 . 2]" 2
597 1 20 ARG H 1 21 LEU HG . . 4.630 3.337 3.235 3.551 . 0 0 "[ . 1 . 2]" 2
598 1 19 CYS HA 1 20 ARG H . . 2.990 2.180 2.166 2.215 . 0 0 "[ . 1 . 2]" 2
599 1 20 ARG H 1 36 GLU HG3 . . 5.150 4.167 3.328 4.607 . 0 0 "[ . 1 . 2]" 2
600 1 20 ARG H 1 36 GLU HG2 . . 5.150 3.791 3.088 4.181 . 0 0 "[ . 1 . 2]" 2
601 1 19 CYS HB2 1 20 ARG H . . 4.520 4.111 4.016 4.173 . 0 0 "[ . 1 . 2]" 2
602 1 20 ARG H 1 20 ARG HB3 . . 3.670 3.601 3.581 3.623 . 0 0 "[ . 1 . 2]" 2
603 1 20 ARG H 1 20 ARG HB2 . . 3.260 2.421 2.338 2.716 . 0 0 "[ . 1 . 2]" 2
604 1 20 ARG H 1 21 LEU MD1 . . 5.110 4.531 4.466 4.774 . 0 0 "[ . 1 . 2]" 2
605 1 48 CYS H 1 49 SER H . . 3.170 2.137 1.994 2.300 . 0 0 "[ . 1 . 2]" 2
606 1 47 TYR HB3 1 48 CYS H . . 3.840 3.326 3.245 3.501 . 0 0 "[ . 1 . 2]" 2
607 1 45 CYS HB3 1 48 CYS H . . 3.930 2.829 2.665 2.937 . 0 0 "[ . 1 . 2]" 2
608 1 48 CYS H 1 48 CYS HB2 . . 4.120 3.682 3.648 3.716 . 0 0 "[ . 1 . 2]" 2
609 1 47 TYR HB2 1 48 CYS H . . 3.840 2.199 2.124 2.315 . 0 0 "[ . 1 . 2]" 2
610 1 48 CYS H 1 48 CYS HB3 . . 4.120 3.004 2.913 3.068 . 0 0 "[ . 1 . 2]" 2
611 1 47 TYR QD 1 48 CYS H . . 4.270 4.082 3.898 4.154 . 0 0 "[ . 1 . 2]" 2
612 1 87 ARG H 1 88 HIS HB2 . . 5.500 5.297 5.163 5.389 . 0 0 "[ . 1 . 2]" 2
613 1 86 TRP H 1 87 ARG H . . 3.570 2.930 2.827 2.992 . 0 0 "[ . 1 . 2]" 2
614 1 86 TRP HE3 1 87 ARG H . . 4.170 3.763 3.173 4.106 . 0 0 "[ . 1 . 2]" 2
615 1 84 SER HA 1 87 ARG H . . 4.090 3.943 3.789 4.104 0.014 16 0 "[ . 1 . 2]" 2
616 1 86 TRP HB3 1 87 ARG H . . 3.640 2.506 2.386 2.630 . 0 0 "[ . 1 . 2]" 2
617 1 86 TRP HB2 1 87 ARG H . . 3.950 3.796 3.720 3.871 . 0 0 "[ . 1 . 2]" 2
618 1 87 ARG H 1 87 ARG HD2 . . 4.300 3.919 3.540 4.145 . 0 0 "[ . 1 . 2]" 2
619 1 87 ARG H 1 87 ARG QB . . 3.200 2.441 2.376 2.531 . 0 0 "[ . 1 . 2]" 2
620 1 87 ARG H 1 87 ARG HG2 . . 3.930 2.222 1.998 2.356 . 0 0 "[ . 1 . 2]" 2
621 1 87 ARG H 1 87 ARG HG3 . . 3.930 3.479 3.327 3.631 . 0 0 "[ . 1 . 2]" 2
622 1 87 ARG H 1 87 ARG HD3 . . 4.600 4.449 4.242 4.610 0.010 5 0 "[ . 1 . 2]" 2
623 1 69 LYS H 1 70 LEU H . . 3.840 2.685 2.366 2.861 . 0 0 "[ . 1 . 2]" 2
624 1 68 LYS H 1 69 LYS H . . 3.470 3.011 2.863 3.122 . 0 0 "[ . 1 . 2]" 2
625 1 65 CYS HB3 1 69 LYS H . . 5.500 4.909 4.616 5.135 . 0 0 "[ . 1 . 2]" 2
626 1 68 LYS QE 1 69 LYS H . . 5.500 5.271 4.862 5.522 0.022 13 0 "[ . 1 . 2]" 2
627 1 69 LYS H 1 69 LYS HB3 . . 3.800 2.643 2.258 3.594 . 0 0 "[ . 1 . 2]" 2
628 1 68 LYS HB2 1 69 LYS H . . 4.100 3.751 3.644 4.063 . 0 0 "[ . 1 . 2]" 2
629 1 69 LYS H 1 69 LYS QG . . 3.660 2.189 1.833 2.738 . 0 0 "[ . 1 . 2]" 2
630 1 68 LYS HB3 1 69 LYS H . . 4.100 2.306 2.168 2.784 . 0 0 "[ . 1 . 2]" 2
631 1 79 PHE HB2 1 80 LYS H . . 4.860 3.312 3.215 3.488 . 0 0 "[ . 1 . 2]" 2
632 1 66 GLU HA 1 69 LYS H . . 4.580 4.171 3.886 4.342 . 0 0 "[ . 1 . 2]" 2
633 1 45 CYS H 1 52 PHE QE . . 4.200 3.772 3.129 4.208 0.008 5 0 "[ . 1 . 2]" 2
634 1 44 VAL HB 1 45 CYS H . . 4.450 4.381 4.262 4.445 . 0 0 "[ . 1 . 2]" 2
635 1 45 CYS H 1 51 ARG H . . 5.500 4.790 4.606 4.937 . 0 0 "[ . 1 . 2]" 2
636 1 86 TRP HA 1 86 TRP HE1 . . 4.970 4.814 4.725 4.972 0.002 19 0 "[ . 1 . 2]" 2
637 1 86 TRP HE1 1 96 ASN HB3 . . 5.300 4.740 1.993 5.303 0.003 17 0 "[ . 1 . 2]" 2
638 1 86 TRP HE1 1 90 VAL MG1 . . 5.270 4.731 4.335 5.207 . 0 0 "[ . 1 . 2]" 2
639 1 86 TRP HE1 1 90 VAL MG2 . . 3.350 2.850 2.408 3.205 . 0 0 "[ . 1 . 2]" 2
640 1 86 TRP HE1 1 96 ASN HB2 . . 5.300 4.498 3.323 5.298 . 0 0 "[ . 1 . 2]" 2
641 1 45 CYS H 1 52 PHE QD . . 4.200 3.960 3.783 4.100 . 0 0 "[ . 1 . 2]" 2
642 1 45 CYS H 1 49 SER HA . . 4.410 3.902 3.642 4.173 . 0 0 "[ . 1 . 2]" 2
643 1 45 CYS H 1 45 CYS HB3 . . 3.590 2.633 2.538 2.807 . 0 0 "[ . 1 . 2]" 2
644 1 44 VAL HA 1 45 CYS H . . 3.250 2.164 2.140 2.197 . 0 0 "[ . 1 . 2]" 2
645 1 45 CYS H 1 45 CYS HB2 . . 3.630 2.439 2.278 2.591 . 0 0 "[ . 1 . 2]" 2
646 1 24 ALA H 1 26 LEU MD2 . . 4.560 4.021 3.917 4.179 . 0 0 "[ . 1 . 2]" 2
647 1 17 TYR H 1 18 GLN H . . 4.360 4.175 4.037 4.274 . 0 0 "[ . 1 . 2]" 2
648 1 61 HIS HE1 1 65 CYS H . . 5.500 5.475 5.228 5.544 0.044 4 0 "[ . 1 . 2]" 2
649 1 62 GLU H 1 65 CYS H . . 4.990 4.842 4.306 4.999 0.009 17 0 "[ . 1 . 2]" 2
650 1 94 ASN H 1 95 GLN H . . 3.470 2.907 2.719 3.160 . 0 0 "[ . 1 . 2]" 2
651 1 79 PHE QD 1 80 LYS H . . 4.870 3.502 3.322 3.690 . 0 0 "[ . 1 . 2]" 2
652 1 45 CYS H 1 52 PHE H . . 5.010 4.955 4.750 5.039 0.029 4 0 "[ . 1 . 2]" 2
653 1 86 TRP HE1 1 99 ALA MB . . 4.730 2.757 2.013 3.245 . 0 0 "[ . 1 . 2]" 2
654 1 86 TRP HE1 1 99 ALA HA . . 4.720 4.097 2.760 4.732 0.012 17 0 "[ . 1 . 2]" 2
655 1 86 TRP HB2 1 86 TRP HE1 . . 5.070 4.895 4.823 4.937 . 0 0 "[ . 1 . 2]" 2
656 1 84 SER H 1 85 ILE HB . . 5.500 5.317 5.007 5.503 0.003 19 0 "[ . 1 . 2]" 2
657 1 11 VAL H 1 12 GLU H . . 4.320 4.199 3.872 4.356 0.036 7 0 "[ . 1 . 2]" 2
658 1 14 LYS HB2 1 15 GLU H . . 4.590 3.391 2.137 4.393 . 0 0 "[ . 1 . 2]" 2
659 1 13 ASN HA 1 14 LYS H . . 3.390 2.283 2.139 2.509 . 0 0 "[ . 1 . 2]" 2
660 1 59 GLN H 1 60 GLU H . . 3.100 2.925 2.709 3.113 0.013 14 0 "[ . 1 . 2]" 2
661 1 18 GLN H 1 25 LYS HG2 . . 5.500 5.315 5.043 5.515 0.015 11 0 "[ . 1 . 2]" 2
662 1 18 GLN H 1 26 LEU H . . 4.800 4.680 4.625 4.788 . 0 0 "[ . 1 . 2]" 2
663 1 18 GLN H 1 18 GLN HB3 . . 3.510 3.474 3.451 3.493 . 0 0 "[ . 1 . 2]" 2
664 1 19 CYS H 1 35 HIS HD2 . . 5.500 5.312 4.805 5.524 0.024 7 0 "[ . 1 . 2]" 2
665 1 19 CYS H 1 26 LEU HB2 . . 5.500 5.439 5.293 5.522 0.022 3 0 "[ . 1 . 2]" 2
666 1 20 ARG H 1 21 LEU HB2 . . 5.500 4.897 4.809 4.996 . 0 0 "[ . 1 . 2]" 2
667 1 20 ARG H 1 32 GLN HG2 . . 5.500 4.727 4.468 4.933 . 0 0 "[ . 1 . 2]" 2
668 1 21 LEU H 1 22 CYS HA . . 5.160 4.584 4.556 4.659 . 0 0 "[ . 1 . 2]" 2
669 1 22 CYS H 1 23 ASN HA . . 4.380 4.114 4.054 4.250 . 0 0 "[ . 1 . 2]" 2
670 1 22 CYS H 1 24 ALA H . . 3.820 3.587 3.374 3.674 . 0 0 "[ . 1 . 2]" 2
671 1 18 GLN HB3 1 23 ASN H . . 4.800 4.619 4.530 4.708 . 0 0 "[ . 1 . 2]" 2
672 1 18 GLN HG2 1 23 ASN H . . 5.500 5.505 5.472 5.542 0.042 19 0 "[ . 1 . 2]" 2
673 1 20 ARG HA 1 23 ASN H . . 4.950 4.086 4.009 4.205 . 0 0 "[ . 1 . 2]" 2
674 1 23 ASN H 1 23 ASN HD21 . . 4.840 4.245 3.321 4.733 . 0 0 "[ . 1 . 2]" 2
675 1 23 ASN QB 1 24 ALA H . . 4.070 3.913 3.866 4.040 . 0 0 "[ . 1 . 2]" 2
676 1 24 ALA MB 1 26 LEU H . . 5.420 5.147 4.934 5.296 . 0 0 "[ . 1 . 2]" 2
677 1 16 VAL HA 1 26 LEU H . . 5.500 5.503 5.468 5.541 0.041 11 0 "[ . 1 . 2]" 2
678 1 26 LEU H 1 26 LEU MD1 . . 3.860 3.808 3.716 3.910 0.050 11 0 "[ . 1 . 2]" 2
679 1 26 LEU MD2 1 27 SER H . . 4.630 4.428 4.379 4.498 . 0 0 "[ . 1 . 2]" 2
680 1 27 SER H 1 31 GLU HG3 . . 4.940 4.212 3.758 4.594 . 0 0 "[ . 1 . 2]" 2
681 1 27 SER H 1 32 GLN H . . 5.310 5.144 4.934 5.311 0.001 11 0 "[ . 1 . 2]" 2
682 1 27 SER H 1 31 GLU HB2 . . 4.180 3.052 2.880 3.301 . 0 0 "[ . 1 . 2]" 2
683 1 26 LEU H 1 28 SER H . . 5.240 5.033 4.947 5.112 . 0 0 "[ . 1 . 2]" 2
684 1 28 SER H 1 28 SER HB2 . . 3.770 3.068 2.987 3.258 . 0 0 "[ . 1 . 2]" 2
685 1 28 SER HB3 1 29 LEU H . . 3.460 2.564 2.325 3.020 . 0 0 "[ . 1 . 2]" 2
686 1 29 LEU H 1 31 GLU H . . 4.790 4.624 4.387 4.802 0.012 3 0 "[ . 1 . 2]" 2
687 1 32 GLN H 1 35 HIS HB3 . . 5.030 4.873 4.751 5.057 0.027 20 0 "[ . 1 . 2]" 2
688 1 26 LEU MD1 1 32 GLN H . . 4.340 4.045 3.908 4.303 . 0 0 "[ . 1 . 2]" 2
689 1 33 GLY H 1 35 HIS H . . 4.970 4.413 4.202 4.744 . 0 0 "[ . 1 . 2]" 2
690 1 35 HIS H 1 36 GLU HB2 . . 4.820 4.725 4.586 4.806 . 0 0 "[ . 1 . 2]" 2
691 1 36 GLU H 1 38 LEU H . . 4.960 4.272 4.037 4.373 . 0 0 "[ . 1 . 2]" 2
692 1 33 GLY H 1 36 GLU H . . 5.220 5.008 4.877 5.128 . 0 0 "[ . 1 . 2]" 2
693 1 37 ARG H 1 38 LEU HB3 . . 5.500 5.550 5.462 5.634 0.134 10 0 "[ . 1 . 2]" 2
694 1 39 CYS H 1 41 ASN H . . 4.980 4.351 4.031 4.724 . 0 0 "[ . 1 . 2]" 2
695 1 36 GLU H 1 39 CYS H . . 4.980 4.577 4.497 4.632 . 0 0 "[ . 1 . 2]" 2
696 1 43 ALA H 1 52 PHE HB2 . . 5.030 4.368 3.905 4.831 . 0 0 "[ . 1 . 2]" 2
697 1 45 CYS H 1 46 PRO HD3 . . 5.020 4.608 4.517 4.693 . 0 0 "[ . 1 . 2]" 2
698 1 44 VAL MG2 1 45 CYS H . . 4.280 4.160 4.037 4.227 . 0 0 "[ . 1 . 2]" 2
699 1 47 TYR H 1 47 TYR HB3 . . 3.790 3.690 3.668 3.712 . 0 0 "[ . 1 . 2]" 2
700 1 45 CYS HA 1 47 TYR H . . 4.080 3.500 3.445 3.556 . 0 0 "[ . 1 . 2]" 2
701 1 48 CYS H 1 50 LEU H . . 4.000 3.757 3.593 3.895 . 0 0 "[ . 1 . 2]" 2
702 1 50 LEU H 1 50 LEU HB2 . . 3.500 2.148 2.126 2.174 . 0 0 "[ . 1 . 2]" 2
703 1 50 LEU H 1 51 ARG H . . 4.670 4.498 4.476 4.528 . 0 0 "[ . 1 . 2]" 2
704 1 51 ARG H 1 52 PHE H . . 4.350 3.836 3.806 3.881 . 0 0 "[ . 1 . 2]" 2
705 1 52 PHE HB2 1 53 PHE H . . 4.670 3.577 3.089 3.952 . 0 0 "[ . 1 . 2]" 2
706 1 53 PHE H 1 53 PHE HB2 . . 4.000 2.906 2.650 3.124 . 0 0 "[ . 1 . 2]" 2
707 1 52 PHE QD 1 53 PHE H . . 4.880 3.847 3.620 4.425 . 0 0 "[ . 1 . 2]" 2
708 1 57 LEU H 1 57 LEU HB2 . . 3.560 2.195 2.154 2.287 . 0 0 "[ . 1 . 2]" 2
709 1 56 GLU HB3 1 57 LEU H . . 4.070 3.357 2.612 3.896 . 0 0 "[ . 1 . 2]" 2
710 1 57 LEU H 1 59 GLN H . . 4.530 4.196 3.794 4.512 . 0 0 "[ . 1 . 2]" 2
711 1 57 LEU H 1 58 LYS HA . . 5.500 5.290 5.129 5.428 . 0 0 "[ . 1 . 2]" 2
712 1 58 LYS H 1 59 GLN H . . 3.410 2.652 2.458 2.947 . 0 0 "[ . 1 . 2]" 2
713 1 58 LYS H 1 59 GLN QB . . 4.880 4.551 4.321 4.832 . 0 0 "[ . 1 . 2]" 2
714 1 58 LYS H 1 58 LYS QG . . 4.190 3.524 2.133 4.069 . 0 0 "[ . 1 . 2]" 2
715 1 60 GLU H 1 60 GLU QB . . 2.920 2.539 2.294 2.652 . 0 0 "[ . 1 . 2]" 2
716 1 61 HIS H 1 61 HIS QB . . 2.980 2.191 2.175 2.228 . 0 0 "[ . 1 . 2]" 2
717 1 57 LEU MD2 1 61 HIS H . . 5.340 5.201 4.863 5.354 0.014 11 0 "[ . 1 . 2]" 2
718 1 58 LYS QG 1 61 HIS H . . 5.390 4.878 4.388 5.399 0.009 20 0 "[ . 1 . 2]" 2
719 1 61 HIS QB 1 62 GLU H . . 3.500 2.451 2.365 2.549 . 0 0 "[ . 1 . 2]" 2
720 1 60 GLU H 1 62 GLU H . . 4.640 4.455 4.201 4.676 0.036 9 0 "[ . 1 . 2]" 2
721 1 68 LYS H 1 68 LYS QD . . 4.450 4.351 4.140 4.416 . 0 0 "[ . 1 . 2]" 2
722 1 66 GLU H 1 68 LYS H . . 5.080 4.045 3.652 4.242 . 0 0 "[ . 1 . 2]" 2
723 1 68 LYS HG2 1 69 LYS H . . 4.830 3.417 2.879 4.375 . 0 0 "[ . 1 . 2]" 2
724 1 68 LYS HG3 1 69 LYS H . . 4.830 3.955 2.814 4.626 . 0 0 "[ . 1 . 2]" 2
725 1 71 THR H 1 85 ILE MG . . 5.500 5.165 4.719 5.473 . 0 0 "[ . 1 . 2]" 2
726 1 69 LYS HB2 1 71 THR H . . 5.500 5.010 4.458 5.238 . 0 0 "[ . 1 . 2]" 2
727 1 69 LYS HB3 1 71 THR H . . 5.500 5.363 5.024 5.527 0.027 4 0 "[ . 1 . 2]" 2
728 1 73 LEU HB3 1 74 GLU H . . 3.990 3.882 3.687 4.037 0.047 15 0 "[ . 1 . 2]" 2
729 1 75 CYS HB2 1 76 MET H . . 4.770 4.487 4.453 4.525 . 0 0 "[ . 1 . 2]" 2
730 1 85 ILE MD 1 86 TRP H . . 4.920 4.638 4.511 4.822 . 0 0 "[ . 1 . 2]" 2
731 1 85 ILE MD 1 89 GLN H . . 5.470 5.308 5.182 5.401 . 0 0 "[ . 1 . 2]" 2
732 1 88 HIS H 1 90 VAL H . . 4.870 3.879 3.764 4.090 . 0 0 "[ . 1 . 2]" 2
733 1 91 GLU H 1 91 GLU HB2 . . 3.590 2.418 2.400 2.440 . 0 0 "[ . 1 . 2]" 2
734 1 92 VAL H 1 93 HIS HB2 . . 4.980 4.744 4.633 4.803 . 0 0 "[ . 1 . 2]" 2
735 1 91 GLU HB2 1 94 ASN H . . 5.500 5.435 5.337 5.531 0.031 9 0 "[ . 1 . 2]" 2
736 1 98 MET H 1 98 MET HG3 . . 4.260 3.522 2.471 4.360 0.100 1 0 "[ . 1 . 2]" 2
737 1 33 GLY QA 1 36 GLU H . . 4.810 3.883 3.808 3.957 . 0 0 "[ . 1 . 2]" 2
738 1 33 GLY QA 1 36 GLU HB3 . . 4.680 4.537 4.388 4.658 . 0 0 "[ . 1 . 2]" 2
739 1 33 GLY QA 1 36 GLU HB2 . . 4.620 3.125 3.033 3.211 . 0 0 "[ . 1 . 2]" 2
740 1 86 TRP HZ2 1 99 ALA MB . . 4.450 3.327 2.141 4.303 . 0 0 "[ . 1 . 2]" 2
741 1 86 TRP HD1 1 99 ALA MB . . 4.690 3.895 2.882 4.708 0.018 6 0 "[ . 1 . 2]" 2
742 1 98 MET HA 1 99 ALA MB . . 4.360 3.963 3.717 4.357 . 0 0 "[ . 1 . 2]" 2
743 1 99 ALA MB 1 100 PRO HD2 . . 3.660 2.213 1.969 2.668 . 0 0 "[ . 1 . 2]" 2
744 1 99 ALA MB 1 100 PRO QG . . 4.360 3.653 3.431 3.956 . 0 0 "[ . 1 . 2]" 2
745 1 98 MET HA 1 98 MET ME . . 4.410 3.769 2.080 4.418 0.008 11 0 "[ . 1 . 2]" 2
746 1 84 SER H 1 85 ILE MG . . 4.180 3.754 3.528 4.077 . 0 0 "[ . 1 . 2]" 2
747 1 85 ILE H 1 85 ILE MG . . 2.900 2.026 1.905 2.206 . 0 0 "[ . 1 . 2]" 2
748 1 79 PHE QE 1 85 ILE MG . . 5.500 4.778 4.635 4.937 . 0 0 "[ . 1 . 2]" 2
749 1 70 LEU HA 1 85 ILE MG . . 3.390 2.870 2.405 3.343 . 0 0 "[ . 1 . 2]" 2
750 1 85 ILE MG 1 86 TRP HA . . 3.860 3.119 2.919 3.402 . 0 0 "[ . 1 . 2]" 2
751 1 82 SER HA 1 85 ILE MG . . 2.990 2.076 1.939 2.388 . 0 0 "[ . 1 . 2]" 2
752 1 85 ILE MG 1 86 TRP HB2 . . 4.110 3.317 3.212 3.469 . 0 0 "[ . 1 . 2]" 2
753 1 70 LEU MD2 1 85 ILE MG . . 3.160 2.708 2.551 3.011 . 0 0 "[ . 1 . 2]" 2
754 1 81 SER H 1 85 ILE MG . . 4.660 4.496 4.028 4.664 0.004 17 0 "[ . 1 . 2]" 2
755 1 76 MET H 1 76 MET ME . . 4.210 3.354 2.545 3.925 . 0 0 "[ . 1 . 2]" 2
756 1 47 TYR QD 1 76 MET ME . . 4.170 3.282 2.496 3.894 . 0 0 "[ . 1 . 2]" 2
757 1 47 TYR QE 1 76 MET ME . . 3.760 2.539 2.029 3.571 . 0 0 "[ . 1 . 2]" 2
758 1 47 TYR HA 1 76 MET ME . . 4.770 4.491 3.401 4.765 . 0 0 "[ . 1 . 2]" 2
759 1 73 LEU HA 1 76 MET ME . . 3.770 2.291 1.798 3.489 . 0 0 "[ . 1 . 2]" 2
760 1 76 MET HA 1 76 MET ME . . 3.490 2.032 1.911 2.337 . 0 0 "[ . 1 . 2]" 2
761 1 72 CYS HB3 1 76 MET ME . . 5.440 5.266 5.094 5.434 . 0 0 "[ . 1 . 2]" 2
762 1 46 PRO HB2 1 76 MET ME . . 4.000 3.599 2.432 3.985 . 0 0 "[ . 1 . 2]" 2
763 1 71 THR MG 1 76 MET ME . . 3.320 1.986 1.726 2.802 . 0 0 "[ . 1 . 2]" 2
764 1 73 LEU MD2 1 76 MET ME . . 3.330 2.450 2.048 3.240 . 0 0 "[ . 1 . 2]" 2
765 1 47 TYR QD 1 71 THR HB . . 4.080 3.023 2.264 3.528 . 0 0 "[ . 1 . 2]" 2
766 1 47 TYR HA 1 47 TYR QD . . 3.610 2.107 1.980 2.883 . 0 0 "[ . 1 . 2]" 2
767 1 67 TYR HA 1 67 TYR QD . . 3.760 2.880 2.358 3.098 . 0 0 "[ . 1 . 2]" 2
768 1 48 CYS HB3 1 67 TYR QD . . 4.030 2.651 2.038 3.190 . 0 0 "[ . 1 . 2]" 2
769 1 66 GLU HB2 1 67 TYR QD . . 5.200 4.270 3.426 5.127 . 0 0 "[ . 1 . 2]" 2
770 1 67 TYR QD 1 68 LYS H . . 5.000 4.471 4.115 4.601 . 0 0 "[ . 1 . 2]" 2
771 1 48 CYS HA 1 67 TYR QD . . 4.100 2.989 1.997 3.802 . 0 0 "[ . 1 . 2]" 2
772 1 47 TYR QD 1 62 GLU HA . . 4.480 2.858 2.571 3.690 . 0 0 "[ . 1 . 2]" 2
773 1 47 TYR QD 1 68 LYS QD . . 4.500 3.642 2.909 4.446 . 0 0 "[ . 1 . 2]" 2
774 1 46 PRO HB2 1 47 TYR QD . . 4.730 4.043 3.641 4.641 . 0 0 "[ . 1 . 2]" 2
775 1 17 TYR QD 1 32 GLN HE22 . . 4.840 4.488 4.150 4.845 0.005 17 0 "[ . 1 . 2]" 2
776 1 17 TYR QD 1 32 GLN HB2 . . 4.530 3.772 3.478 3.893 . 0 0 "[ . 1 . 2]" 2
777 1 17 TYR QD 1 26 LEU HB3 . . 4.800 4.100 3.923 4.317 . 0 0 "[ . 1 . 2]" 2
778 1 17 TYR QD 1 26 LEU HB2 . . 4.570 3.882 3.656 4.098 . 0 0 "[ . 1 . 2]" 2
779 1 17 TYR QD 1 29 LEU H . . 4.150 2.786 2.618 3.041 . 0 0 "[ . 1 . 2]" 2
780 1 17 TYR HA 1 17 TYR QD . . 3.500 2.087 2.048 2.137 . 0 0 "[ . 1 . 2]" 2
781 1 16 VAL HA 1 17 TYR QD . . 4.220 4.097 3.815 4.234 0.014 8 0 "[ . 1 . 2]" 2
782 1 16 VAL MG2 1 17 TYR QD . . 5.050 4.387 4.321 4.458 . 0 0 "[ . 1 . 2]" 2
783 1 16 VAL MG1 1 17 TYR QD . . 5.500 4.829 4.559 4.974 . 0 0 "[ . 1 . 2]" 2
784 1 17 TYR QD 1 29 LEU HB3 . . 4.980 4.750 4.571 4.966 . 0 0 "[ . 1 . 2]" 2
785 1 17 TYR QD 1 29 LEU HG . . 5.400 4.822 4.689 4.917 . 0 0 "[ . 1 . 2]" 2
786 1 77 ARG HD3 1 79 PHE QE . . 4.670 3.668 2.153 4.693 0.023 4 0 "[ . 1 . 2]" 2
787 1 77 ARG HD3 1 88 HIS HE1 . . 4.590 3.808 2.534 4.593 0.003 13 0 "[ . 1 . 2]" 2
788 1 77 ARG HD3 1 79 PHE HZ . . 4.610 3.375 2.143 4.631 0.021 4 0 "[ . 1 . 2]" 2
789 1 77 ARG QB 1 77 ARG HD3 . . 3.640 2.943 2.083 3.381 . 0 0 "[ . 1 . 2]" 2
790 1 77 ARG HD2 1 88 HIS HE1 . . 4.590 3.111 2.222 4.067 . 0 0 "[ . 1 . 2]" 2
791 1 77 ARG QB 1 77 ARG HD2 . . 3.640 2.352 2.027 3.241 . 0 0 "[ . 1 . 2]" 2
792 1 77 ARG HD2 1 79 PHE HZ . . 4.610 3.869 2.997 4.628 0.018 11 0 "[ . 1 . 2]" 2
793 1 79 PHE H 1 85 ILE MD . . 4.550 3.599 3.331 3.787 . 0 0 "[ . 1 . 2]" 2
794 1 71 THR HA 1 85 ILE MD . . 4.330 3.382 2.840 3.720 . 0 0 "[ . 1 . 2]" 2
795 1 37 ARG H 1 37 ARG QD . . 4.460 3.935 3.574 4.264 . 0 0 "[ . 1 . 2]" 2
796 1 37 ARG QD 1 38 LEU H . . 5.050 4.630 3.847 4.962 . 0 0 "[ . 1 . 2]" 2
797 1 34 SER HA 1 37 ARG QD . . 3.840 2.873 2.092 3.661 . 0 0 "[ . 1 . 2]" 2
798 1 40 ARG HA 1 40 ARG HD2 . . 4.700 3.964 2.496 4.711 0.011 17 0 "[ . 1 . 2]" 2
799 1 37 ARG HA 1 37 ARG QD . . 4.380 4.076 3.831 4.399 0.019 10 0 "[ . 1 . 2]" 2
800 1 37 ARG QD 1 38 LEU MD2 . . 4.160 3.724 2.500 4.156 . 0 0 "[ . 1 . 2]" 2
801 1 40 ARG HA 1 40 ARG HD3 . . 4.700 4.028 2.381 4.775 0.075 12 0 "[ . 1 . 2]" 2
802 1 21 LEU MD1 1 40 ARG HD3 . . 4.800 3.929 2.656 4.804 0.004 9 0 "[ . 1 . 2]" 2
803 1 51 ARG HA 1 51 ARG QD . . 4.570 4.038 3.640 4.188 . 0 0 "[ . 1 . 2]" 2
804 1 51 ARG QB 1 51 ARG QD . . 3.230 2.219 2.082 2.378 . 0 0 "[ . 1 . 2]" 2
805 1 79 PHE H 1 79 PHE QD . . 3.820 2.661 2.376 2.936 . 0 0 "[ . 1 . 2]" 2
806 1 79 PHE HA 1 79 PHE QD . . 4.030 3.113 3.082 3.138 . 0 0 "[ . 1 . 2]" 2
807 1 79 PHE QD 1 85 ILE HB . . 4.090 2.690 2.344 2.927 . 0 0 "[ . 1 . 2]" 2
808 1 79 PHE QD 1 85 ILE MG . . 4.310 3.855 3.682 4.007 . 0 0 "[ . 1 . 2]" 2
809 1 79 PHE QD 1 85 ILE HG13 . . 4.760 3.153 2.806 3.505 . 0 0 "[ . 1 . 2]" 2
810 1 71 THR HA 1 79 PHE QD . . 4.610 4.104 3.871 4.337 . 0 0 "[ . 1 . 2]" 2
811 1 72 CYS H 1 85 ILE MD . . 3.740 2.481 2.082 2.927 . 0 0 "[ . 1 . 2]" 2
812 1 78 THR H 1 85 ILE MD . . 5.500 5.223 4.955 5.433 . 0 0 "[ . 1 . 2]" 2
813 1 85 ILE H 1 85 ILE MD . . 4.480 4.362 4.332 4.384 . 0 0 "[ . 1 . 2]" 2
814 1 71 THR H 1 85 ILE MD . . 4.250 3.955 3.464 4.241 . 0 0 "[ . 1 . 2]" 2
815 1 77 ARG H 1 85 ILE MD . . 4.840 4.520 4.305 4.814 . 0 0 "[ . 1 . 2]" 2
816 1 79 PHE QD 1 85 ILE MD . . 3.360 2.225 2.022 2.539 . 0 0 "[ . 1 . 2]" 2
817 1 85 ILE MD 1 89 GLN HE21 . . 4.010 2.977 1.883 3.857 . 0 0 "[ . 1 . 2]" 2
818 1 79 PHE QE 1 85 ILE MD . . 3.600 2.825 2.421 3.174 . 0 0 "[ . 1 . 2]" 2
819 1 85 ILE MD 1 89 GLN HE22 . . 4.010 3.006 2.341 3.486 . 0 0 "[ . 1 . 2]" 2
820 1 78 THR HA 1 85 ILE MD . . 4.650 3.498 3.160 3.705 . 0 0 "[ . 1 . 2]" 2
821 1 72 CYS HA 1 85 ILE MD . . 3.480 2.643 2.277 3.100 . 0 0 "[ . 1 . 2]" 2
822 1 70 LEU HA 1 85 ILE MD . . 3.510 2.953 2.448 3.239 . 0 0 "[ . 1 . 2]" 2
823 1 85 ILE HA 1 85 ILE MD . . 3.790 3.737 3.684 3.821 0.031 9 0 "[ . 1 . 2]" 2
824 1 72 CYS HB2 1 85 ILE MD . . 3.700 1.966 1.800 2.142 . 0 0 "[ . 1 . 2]" 2
825 1 85 ILE HB 1 85 ILE MD . . 3.370 2.379 2.314 2.493 . 0 0 "[ . 1 . 2]" 2
826 1 85 ILE MD 1 85 ILE MG . . 2.820 1.983 1.903 2.094 . 0 0 "[ . 1 . 2]" 2
827 1 82 SER HA 1 85 ILE MD . . 4.700 4.444 4.289 4.713 0.013 16 0 "[ . 1 . 2]" 2
828 1 85 ILE MD 1 88 HIS HB3 . . 4.470 4.420 4.285 4.489 0.019 16 0 "[ . 1 . 2]" 2
829 1 85 ILE MD 1 89 GLN HG2 . . 4.050 3.885 3.672 4.060 0.010 15 0 "[ . 1 . 2]" 2
830 1 85 ILE MD 1 89 GLN HG3 . . 4.310 3.400 3.160 3.609 . 0 0 "[ . 1 . 2]" 2
831 1 70 LEU MD2 1 85 ILE MD . . 3.930 3.777 3.375 3.933 0.003 15 0 "[ . 1 . 2]" 2
832 1 21 LEU MD1 1 40 ARG HD2 . . 4.800 3.993 2.919 4.844 0.044 19 0 "[ . 1 . 2]" 2
833 1 52 PHE HB3 1 57 LEU HB3 . . 4.520 2.730 2.504 2.978 . 0 0 "[ . 1 . 2]" 2
834 1 52 PHE HB3 1 57 LEU HG . . 5.060 4.590 4.094 4.883 . 0 0 "[ . 1 . 2]" 2
835 1 52 PHE HB2 1 57 LEU HB3 . . 4.770 3.675 3.313 3.987 . 0 0 "[ . 1 . 2]" 2
836 1 52 PHE HB2 1 57 LEU HB2 . . 4.740 3.182 2.754 3.460 . 0 0 "[ . 1 . 2]" 2
837 1 52 PHE HB2 1 58 LYS QG . . 5.500 4.488 4.096 4.948 . 0 0 "[ . 1 . 2]" 2
838 1 78 THR HA 1 79 PHE QD . . 4.440 2.926 2.712 3.121 . 0 0 "[ . 1 . 2]" 2
839 1 20 ARG H 1 20 ARG HD2 . . 4.610 4.065 1.933 4.626 0.016 11 0 "[ . 1 . 2]" 2
840 1 20 ARG HA 1 20 ARG HD2 . . 4.380 2.553 1.977 4.357 . 0 0 "[ . 1 . 2]" 2
841 1 20 ARG HB3 1 20 ARG HD2 . . 3.810 2.774 2.256 3.818 0.008 4 0 "[ . 1 . 2]" 2
842 1 20 ARG H 1 20 ARG HD3 . . 4.610 4.288 2.734 4.647 0.037 7 0 "[ . 1 . 2]" 2
843 1 50 LEU HB2 1 52 PHE QE . . 4.160 2.466 2.119 2.642 . 0 0 "[ . 1 . 2]" 2
844 1 50 LEU HB2 1 52 PHE HZ . . 4.490 4.076 3.462 4.385 . 0 0 "[ . 1 . 2]" 2
845 1 50 LEU HB2 1 51 ARG H . . 4.190 3.534 3.498 3.578 . 0 0 "[ . 1 . 2]" 2
846 1 50 LEU HB3 1 52 PHE QE . . 4.160 2.356 2.032 2.616 . 0 0 "[ . 1 . 2]" 2
847 1 50 LEU HB3 1 52 PHE HZ . . 4.490 3.667 3.339 3.873 . 0 0 "[ . 1 . 2]" 2
848 1 83 PHE HA 1 83 PHE QE . . 4.910 4.686 4.541 4.817 . 0 0 "[ . 1 . 2]" 2
849 1 83 PHE QE 1 87 ARG HG2 . . 4.890 4.233 3.321 4.862 . 0 0 "[ . 1 . 2]" 2
850 1 83 PHE QE 1 84 SER HA . . 4.900 4.551 4.061 4.892 . 0 0 "[ . 1 . 2]" 2
851 1 83 PHE HA 1 83 PHE QD . . 3.890 2.793 2.464 3.143 . 0 0 "[ . 1 . 2]" 2
852 1 38 LEU HB2 1 39 CYS H . . 4.140 3.534 3.369 3.665 . 0 0 "[ . 1 . 2]" 2
853 1 38 LEU H 1 38 LEU HB2 . . 3.640 3.506 3.489 3.542 . 0 0 "[ . 1 . 2]" 2
854 1 38 LEU HB3 1 39 CYS H . . 4.430 4.204 4.091 4.291 . 0 0 "[ . 1 . 2]" 2
855 1 42 ALA MB 1 53 PHE QE . . 5.240 4.948 4.614 5.115 . 0 0 "[ . 1 . 2]" 2
856 1 53 PHE QE 1 57 LEU MD1 . . 5.220 4.743 4.347 5.074 . 0 0 "[ . 1 . 2]" 2
857 1 53 PHE HA 1 53 PHE QD . . 3.620 2.390 2.178 2.553 . 0 0 "[ . 1 . 2]" 2
858 1 52 PHE HA 1 52 PHE QD . . 4.140 3.066 2.906 3.227 . 0 0 "[ . 1 . 2]" 2
859 1 52 PHE QD 1 57 LEU HB3 . . 4.590 2.587 2.127 2.959 . 0 0 "[ . 1 . 2]" 2
860 1 51 ARG HA 1 52 PHE QD . . 4.760 3.563 3.069 3.897 . 0 0 "[ . 1 . 2]" 2
861 1 53 PHE HA 1 53 PHE QE . . 5.010 4.692 4.525 4.774 . 0 0 "[ . 1 . 2]" 2
862 1 79 PHE HB3 1 80 LYS H . . 4.860 1.973 1.924 2.168 . 0 0 "[ . 1 . 2]" 2
863 1 79 PHE HB3 1 85 ILE HB . . 4.440 3.144 2.977 3.349 . 0 0 "[ . 1 . 2]" 2
864 1 58 LYS QE 1 59 GLN H . . 4.640 4.264 3.532 4.687 0.047 9 0 "[ . 1 . 2]" 2
865 1 47 TYR QE 1 68 LYS QE . . 3.740 3.405 2.744 3.738 . 0 0 "[ . 1 . 2]" 2
866 1 68 LYS QE 1 68 LYS HG3 . . 3.290 2.402 2.178 2.766 . 0 0 "[ . 1 . 2]" 2
867 1 68 LYS QE 1 68 LYS HG2 . . 3.290 2.519 2.225 3.014 . 0 0 "[ . 1 . 2]" 2
868 1 26 LEU HB2 1 32 GLN HA . . 4.970 4.169 4.098 4.255 . 0 0 "[ . 1 . 2]" 2
869 1 52 PHE QE 1 58 LYS HA . . 4.730 3.226 2.867 3.397 . 0 0 "[ . 1 . 2]" 2
870 1 25 LYS QE 1 25 LYS HG3 . . 3.330 2.724 2.232 3.397 0.067 2 0 "[ . 1 . 2]" 2
871 1 25 LYS QE 1 25 LYS HG2 . . 3.330 2.531 2.118 3.253 . 0 0 "[ . 1 . 2]" 2
872 1 69 LYS QE 1 70 LEU HA . . 5.500 4.774 3.540 5.525 0.025 13 0 "[ . 1 . 2]" 2
873 1 67 TYR HA 1 69 LYS QE . . 5.170 4.812 3.951 5.221 0.051 18 0 "[ . 1 . 2]" 2
874 1 69 LYS HA 1 69 LYS QE . . 5.500 5.195 4.397 5.542 0.042 11 0 "[ . 1 . 2]" 2
875 1 69 LYS HB2 1 69 LYS QE . . 4.720 3.538 1.974 4.280 . 0 0 "[ . 1 . 2]" 2
876 1 69 LYS QE 1 69 LYS QG . . 3.410 2.137 2.033 2.295 . 0 0 "[ . 1 . 2]" 2
877 1 69 LYS QE 1 70 LEU MD2 . . 4.450 2.926 1.930 3.901 . 0 0 "[ . 1 . 2]" 2
878 1 46 PRO HD2 1 58 LYS QE . . 3.950 3.393 2.868 3.930 . 0 0 "[ . 1 . 2]" 2
879 1 45 CYS HA 1 58 LYS QE . . 3.820 3.152 2.055 3.896 0.076 19 0 "[ . 1 . 2]" 2
880 1 55 PRO HA 1 58 LYS QE . . 4.590 4.344 3.656 4.635 0.045 14 0 "[ . 1 . 2]" 2
881 1 46 PRO HD3 1 58 LYS QE . . 3.770 3.209 2.652 3.770 . 0 0 "[ . 1 . 2]" 2
882 1 58 LYS QE 1 59 GLN QB . . 5.500 5.224 4.652 5.530 0.030 17 0 "[ . 1 . 2]" 2
883 1 58 LYS QE 1 62 GLU HB3 . . 5.500 5.455 5.060 5.643 0.143 16 0 "[ . 1 . 2]" 2
884 1 58 LYS QE 1 58 LYS QG . . 3.150 2.192 2.016 2.665 . 0 0 "[ . 1 . 2]" 2
885 1 83 PHE QE 1 87 ARG HD3 . . 4.640 3.803 2.666 4.514 . 0 0 "[ . 1 . 2]" 2
886 1 86 TRP HE3 1 87 ARG HD3 . . 4.310 3.161 2.512 3.717 . 0 0 "[ . 1 . 2]" 2
887 1 86 TRP HZ3 1 87 ARG HD3 . . 4.170 3.291 2.336 3.939 . 0 0 "[ . 1 . 2]" 2
888 1 86 TRP HZ3 1 87 ARG HD2 . . 4.540 3.897 2.365 4.505 . 0 0 "[ . 1 . 2]" 2
889 1 87 ARG HA 1 87 ARG HD2 . . 3.530 2.181 1.995 2.389 . 0 0 "[ . 1 . 2]" 2
890 1 87 ARG HD2 1 90 VAL MG2 . . 4.870 4.305 3.910 4.731 . 0 0 "[ . 1 . 2]" 2
891 1 86 TRP HE3 1 87 ARG HD2 . . 4.390 3.495 2.228 4.074 . 0 0 "[ . 1 . 2]" 2
892 1 57 LEU H 1 57 LEU HB3 . . 4.030 3.499 3.470 3.544 . 0 0 "[ . 1 . 2]" 2
893 1 57 LEU HB2 1 57 LEU MD1 . . 3.630 2.285 2.123 2.339 . 0 0 "[ . 1 . 2]" 2
894 1 30 LEU HB3 1 31 GLU HB2 . . 4.550 3.962 3.883 4.055 . 0 0 "[ . 1 . 2]" 2
895 1 28 SER HA 1 29 LEU HB2 . . 4.570 4.444 4.412 4.485 . 0 0 "[ . 1 . 2]" 2
896 1 29 LEU HB3 1 30 LEU HA . . 4.650 3.945 3.883 4.038 . 0 0 "[ . 1 . 2]" 2
897 1 29 LEU HB3 1 29 LEU MD1 . . 3.520 3.180 3.165 3.188 . 0 0 "[ . 1 . 2]" 2
898 1 72 CYS H 1 79 PHE QE . . 4.310 4.033 3.564 4.276 . 0 0 "[ . 1 . 2]" 2
899 1 79 PHE HA 1 79 PHE QE . . 4.700 4.640 4.586 4.674 . 0 0 "[ . 1 . 2]" 2
900 1 72 CYS HB2 1 79 PHE QE . . 4.000 2.949 2.556 3.353 . 0 0 "[ . 1 . 2]" 2
901 1 77 ARG HD2 1 79 PHE QE . . 4.670 3.899 2.957 4.693 0.023 18 0 "[ . 1 . 2]" 2
902 1 79 PHE QE 1 85 ILE HB . . 4.690 3.858 3.587 4.064 . 0 0 "[ . 1 . 2]" 2
903 1 77 ARG QB 1 79 PHE QE . . 3.900 2.249 1.950 2.652 . 0 0 "[ . 1 . 2]" 2
904 1 17 TYR QE 1 29 LEU HB2 . . 4.550 2.475 2.232 2.638 . 0 0 "[ . 1 . 2]" 2
905 1 79 PHE QE 1 85 ILE HG13 . . 5.010 2.768 2.435 3.230 . 0 0 "[ . 1 . 2]" 2
906 1 72 CYS HB3 1 79 PHE QE . . 4.070 3.516 3.193 3.752 . 0 0 "[ . 1 . 2]" 2
907 1 47 TYR QE 1 71 THR HB . . 4.760 3.547 2.974 4.488 . 0 0 "[ . 1 . 2]" 2
908 1 68 LYS HA 1 71 THR HB . . 4.170 2.980 2.564 3.282 . 0 0 "[ . 1 . 2]" 2
909 1 83 PHE HZ 1 87 ARG HD3 . . 4.580 4.023 3.292 4.578 . 0 0 "[ . 1 . 2]" 2
910 1 78 THR HB 1 79 PHE H . . 3.990 3.713 3.377 3.922 . 0 0 "[ . 1 . 2]" 2
911 1 78 THR H 1 78 THR HB . . 3.740 2.714 2.578 2.879 . 0 0 "[ . 1 . 2]" 2
912 1 77 ARG HA 1 78 THR HB . . 5.000 4.866 4.712 5.018 0.018 19 0 "[ . 1 . 2]" 2
913 1 73 LEU H 1 73 LEU HB2 . . 3.920 2.731 2.606 2.838 . 0 0 "[ . 1 . 2]" 2
914 1 71 THR HA 1 78 THR HB . . 4.770 4.545 4.243 4.686 . 0 0 "[ . 1 . 2]" 2
915 1 52 PHE HZ 1 61 HIS QB . . 4.280 2.792 2.453 3.241 . 0 0 "[ . 1 . 2]" 2
916 1 35 HIS HD2 1 36 GLU HA . . 4.540 3.266 2.971 3.740 . 0 0 "[ . 1 . 2]" 2
917 1 41 ASN HB2 1 44 VAL MG2 . . 4.680 3.527 2.431 4.689 0.009 9 0 "[ . 1 . 2]" 2
918 1 61 HIS HD2 1 62 GLU HB2 . . 4.560 4.551 4.452 4.605 0.045 20 0 "[ . 1 . 2]" 2
919 1 53 PHE H 1 53 PHE HB3 . . 4.000 2.248 2.187 2.448 . 0 0 "[ . 1 . 2]" 2
920 1 53 PHE HB3 1 54 SER H . . 4.320 2.681 2.485 2.852 . 0 0 "[ . 1 . 2]" 2
921 1 53 PHE HB3 1 57 LEU MD1 . . 4.310 2.675 2.119 2.888 . 0 0 "[ . 1 . 2]" 2
922 1 79 PHE HZ 1 88 HIS HB3 . . 5.500 2.901 2.723 3.101 . 0 0 "[ . 1 . 2]" 2
923 1 90 VAL MG1 1 96 ASN HB2 . . 5.060 4.035 2.266 5.025 . 0 0 "[ . 1 . 2]" 2
924 1 17 TYR HB3 1 32 GLN HB2 . . 4.200 2.764 2.528 2.930 . 0 0 "[ . 1 . 2]" 2
925 1 17 TYR HB3 1 26 LEU HB2 . . 4.380 3.433 3.220 3.575 . 0 0 "[ . 1 . 2]" 2
926 1 90 VAL MG1 1 96 ASN HB3 . . 5.060 3.721 2.339 5.034 . 0 0 "[ . 1 . 2]" 2
927 1 17 TYR HB2 1 18 GLN H . . 4.440 4.388 4.332 4.430 . 0 0 "[ . 1 . 2]" 2
928 1 17 TYR HB2 1 32 GLN HB2 . . 4.390 3.279 3.189 3.423 . 0 0 "[ . 1 . 2]" 2
929 1 17 TYR HB2 1 26 LEU HB3 . . 4.700 3.463 3.374 3.628 . 0 0 "[ . 1 . 2]" 2
930 1 17 TYR HB2 1 26 LEU HB2 . . 4.360 2.292 2.132 2.462 . 0 0 "[ . 1 . 2]" 2
931 1 77 ARG QB 1 79 PHE HZ . . 4.560 3.763 3.347 4.158 . 0 0 "[ . 1 . 2]" 2
932 1 19 CYS HA 1 36 GLU HG3 . . 4.560 4.155 3.267 4.570 0.010 16 0 "[ . 1 . 2]" 2
933 1 19 CYS HA 1 36 GLU HG2 . . 4.560 4.213 3.557 4.583 0.023 20 0 "[ . 1 . 2]" 2
934 1 86 TRP H 1 86 TRP HD1 . . 4.780 4.689 4.527 4.817 0.037 6 0 "[ . 1 . 2]" 2
935 1 85 ILE MG 1 86 TRP HD1 . . 4.850 4.689 4.418 4.851 0.001 10 0 "[ . 1 . 2]" 2
936 1 86 TRP HA 1 86 TRP HD1 . . 3.560 2.561 2.380 2.944 . 0 0 "[ . 1 . 2]" 2
937 1 86 TRP HD1 1 89 GLN HB2 . . 4.850 4.177 3.686 4.869 0.019 19 0 "[ . 1 . 2]" 2
938 1 72 CYS HB2 1 88 HIS HD2 . . 3.890 3.108 2.754 3.300 . 0 0 "[ . 1 . 2]" 2
939 1 88 HIS HD2 1 89 GLN HA . . 4.450 3.825 3.622 4.082 . 0 0 "[ . 1 . 2]" 2
940 1 72 CYS HB3 1 88 HIS HD2 . . 4.170 3.984 3.645 4.177 0.007 2 0 "[ . 1 . 2]" 2
941 1 88 HIS HD2 1 89 GLN HG2 . . 4.000 2.701 2.411 2.938 . 0 0 "[ . 1 . 2]" 2
942 1 85 ILE MD 1 88 HIS HD2 . . 4.370 3.576 3.337 3.809 . 0 0 "[ . 1 . 2]" 2
943 1 88 HIS HD2 1 93 HIS HD2 . . 3.940 3.578 3.163 3.874 . 0 0 "[ . 1 . 2]" 2
944 1 89 GLN HG3 1 93 HIS HD2 . . 4.430 4.251 3.895 4.436 0.006 18 0 "[ . 1 . 2]" 2
945 1 89 GLN HB3 1 93 HIS HD2 . . 4.880 4.048 3.711 4.311 . 0 0 "[ . 1 . 2]" 2
946 1 92 VAL HB 1 93 HIS HD2 . . 4.690 2.717 2.471 3.284 . 0 0 "[ . 1 . 2]" 2
947 1 85 ILE HG12 1 88 HIS HD2 . . 4.740 3.574 3.214 3.883 . 0 0 "[ . 1 . 2]" 2
948 1 94 ASN HB3 1 95 GLN H . . 4.670 4.432 4.320 4.595 . 0 0 "[ . 1 . 2]" 2
949 1 94 ASN H 1 94 ASN HB3 . . 3.970 3.652 3.013 3.951 . 0 0 "[ . 1 . 2]" 2
950 1 47 TYR QD 1 62 GLU QG . . 4.210 2.361 1.980 2.599 . 0 0 "[ . 1 . 2]" 2
951 1 61 HIS HD2 1 62 GLU QG . . 4.310 2.908 2.815 3.062 . 0 0 "[ . 1 . 2]" 2
952 1 47 TYR QE 1 62 GLU QG . . 3.810 2.116 1.992 2.373 . 0 0 "[ . 1 . 2]" 2
953 1 62 GLU QG 1 63 SER HA . . 5.500 5.572 5.534 5.624 0.124 7 0 "[ . 1 . 2]" 2
954 1 46 PRO HD2 1 62 GLU QG . . 3.690 3.008 2.798 3.260 . 0 0 "[ . 1 . 2]" 2
955 1 62 GLU HA 1 62 GLU QG . . 3.540 2.273 2.252 2.282 . 0 0 "[ . 1 . 2]" 2
956 1 61 HIS QB 1 62 GLU QG . . 5.170 4.142 4.072 4.259 . 0 0 "[ . 1 . 2]" 2
957 1 62 GLU QG 1 68 LYS QE . . 5.500 5.140 4.751 5.448 . 0 0 "[ . 1 . 2]" 2
958 1 58 LYS QD 1 62 GLU QG . . 4.340 2.630 1.928 3.649 . 0 0 "[ . 1 . 2]" 2
959 1 58 LYS QG 1 62 GLU QG . . 4.680 3.497 2.598 4.706 0.026 11 0 "[ . 1 . 2]" 2
960 1 56 GLU H 1 56 GLU HG2 . . 4.570 3.986 2.852 4.532 . 0 0 "[ . 1 . 2]" 2
961 1 56 GLU HG2 1 57 LEU H . . 5.500 5.025 4.345 5.557 0.057 9 0 "[ . 1 . 2]" 2
962 1 56 GLU HA 1 56 GLU HG2 . . 3.750 2.657 2.203 3.645 . 0 0 "[ . 1 . 2]" 2
963 1 27 SER H 1 31 GLU HG2 . . 4.940 3.286 2.563 3.974 . 0 0 "[ . 1 . 2]" 2
964 1 56 GLU H 1 56 GLU HG3 . . 4.570 3.498 2.873 4.525 . 0 0 "[ . 1 . 2]" 2
965 1 56 GLU HA 1 56 GLU HG3 . . 3.750 2.836 2.192 3.642 . 0 0 "[ . 1 . 2]" 2
966 1 46 PRO HG2 1 62 GLU QG . . 4.810 3.994 3.739 4.393 . 0 0 "[ . 1 . 2]" 2
967 1 90 VAL HB 1 91 GLU HG2 . . 4.090 4.095 4.044 4.121 0.031 18 0 "[ . 1 . 2]" 2
968 1 26 LEU MD1 1 31 GLU HG2 . . 4.280 2.062 1.794 2.810 . 0 0 "[ . 1 . 2]" 2
969 1 70 LEU HA 1 85 ILE HB . . 4.800 4.469 3.880 4.804 0.004 19 0 "[ . 1 . 2]" 2
970 1 70 LEU MD2 1 85 ILE HB . . 4.650 4.162 3.771 4.405 . 0 0 "[ . 1 . 2]" 2
971 1 82 SER HA 1 85 ILE HB . . 5.190 4.340 4.121 4.700 . 0 0 "[ . 1 . 2]" 2
972 1 79 PHE HB2 1 85 ILE HB . . 4.440 2.080 1.993 2.293 . 0 0 "[ . 1 . 2]" 2
973 1 91 GLU H 1 91 GLU HG2 . . 3.590 3.435 3.392 3.476 . 0 0 "[ . 1 . 2]" 2
974 1 91 GLU HA 1 91 GLU HG2 . . 3.780 2.334 2.309 2.362 . 0 0 "[ . 1 . 2]" 2
975 1 90 VAL MG2 1 91 GLU HG2 . . 5.500 5.432 5.389 5.459 . 0 0 "[ . 1 . 2]" 2
976 1 91 GLU H 1 91 GLU HG3 . . 3.800 2.848 2.719 2.924 . 0 0 "[ . 1 . 2]" 2
977 1 28 SER HB3 1 31 GLU H . . 4.840 3.516 2.715 4.037 . 0 0 "[ . 1 . 2]" 2
978 1 28 SER HB3 1 30 LEU HB2 . . 4.760 3.750 3.372 4.000 . 0 0 "[ . 1 . 2]" 2
979 1 28 SER HB3 1 29 LEU HB2 . . 4.910 4.436 4.221 4.968 0.058 1 0 "[ . 1 . 2]" 2
980 1 28 SER HB3 1 30 LEU HB3 . . 5.230 3.897 3.326 4.273 . 0 0 "[ . 1 . 2]" 2
981 1 28 SER HB3 1 30 LEU H . . 4.370 2.615 2.334 2.835 . 0 0 "[ . 1 . 2]" 2
982 1 90 VAL HA 1 94 ASN HA . . 4.350 2.145 1.996 2.226 . 0 0 "[ . 1 . 2]" 2
983 1 90 VAL HA 1 94 ASN HB2 . . 5.060 4.736 4.322 5.086 0.026 2 0 "[ . 1 . 2]" 2
984 1 90 VAL HA 1 94 ASN HB3 . . 5.060 4.739 4.358 5.073 0.013 4 0 "[ . 1 . 2]" 2
985 1 89 GLN HB3 1 90 VAL HA . . 4.770 4.617 4.351 4.783 0.013 18 0 "[ . 1 . 2]" 2
986 1 90 VAL HA 1 95 GLN HB3 . . 5.500 5.488 5.116 5.564 0.064 19 0 "[ . 1 . 2]" 2
987 1 15 GLU HA 1 15 GLU HG3 . . 3.970 3.244 2.253 4.189 0.219 17 0 "[ . 1 . 2]" 2
988 1 74 GLU HA 1 74 GLU QG . . 3.480 2.624 2.151 3.135 . 0 0 "[ . 1 . 2]" 2
989 1 57 LEU HA 1 60 GLU HG2 . . 4.410 3.288 2.326 4.330 . 0 0 "[ . 1 . 2]" 2
990 1 60 GLU H 1 60 GLU HG2 . . 3.880 2.513 1.918 3.412 . 0 0 "[ . 1 . 2]" 2
991 1 60 GLU HA 1 60 GLU HG2 . . 4.120 3.428 2.662 4.204 0.084 19 0 "[ . 1 . 2]" 2
992 1 60 GLU H 1 60 GLU HG3 . . 3.880 2.920 1.890 3.697 . 0 0 "[ . 1 . 2]" 2
993 1 60 GLU HG3 1 61 HIS H . . 4.970 3.722 1.944 4.885 . 0 0 "[ . 1 . 2]" 2
994 1 60 GLU HA 1 60 GLU HG3 . . 4.120 3.614 2.962 3.830 . 0 0 "[ . 1 . 2]" 2
995 1 54 SER HB2 1 57 LEU HB2 . . 4.700 3.619 3.223 4.465 . 0 0 "[ . 1 . 2]" 2
996 1 54 SER HB2 1 57 LEU HG . . 4.710 3.402 2.893 4.429 . 0 0 "[ . 1 . 2]" 2
997 1 43 ALA HA 1 55 PRO HA . . 4.070 3.069 2.814 3.250 . 0 0 "[ . 1 . 2]" 2
998 1 54 SER HB3 1 57 LEU HG . . 4.710 4.282 3.088 4.703 . 0 0 "[ . 1 . 2]" 2
999 1 54 SER HB3 1 56 GLU H . . 4.450 2.472 2.196 4.296 . 0 0 "[ . 1 . 2]" 2
1000 1 54 SER HB3 1 57 LEU HB2 . . 4.700 4.252 3.278 4.705 0.005 19 0 "[ . 1 . 2]" 2
1001 1 27 SER H 1 27 SER HB3 . . 3.690 2.600 2.389 2.892 . 0 0 "[ . 1 . 2]" 2
1002 1 27 SER H 1 27 SER HB2 . . 3.690 2.870 2.572 3.676 . 0 0 "[ . 1 . 2]" 2
1003 1 43 ALA HA 1 44 VAL HB . . 4.760 4.746 4.686 4.804 0.044 16 0 "[ . 1 . 2]" 2
1004 1 89 GLN HG2 1 93 HIS HD2 . . 4.770 3.077 2.545 3.434 . 0 0 "[ . 1 . 2]" 2
1005 1 86 TRP HA 1 89 GLN HG2 . . 5.490 5.249 5.067 5.480 . 0 0 "[ . 1 . 2]" 2
1006 1 89 GLN HA 1 89 GLN HG2 . . 4.200 2.537 2.302 2.690 . 0 0 "[ . 1 . 2]" 2
1007 1 88 HIS HD2 1 89 GLN HG3 . . 4.080 2.665 2.412 2.927 . 0 0 "[ . 1 . 2]" 2
1008 1 86 TRP HA 1 89 GLN HG3 . . 4.830 3.771 3.528 4.029 . 0 0 "[ . 1 . 2]" 2
1009 1 18 GLN HG2 1 24 ALA H . . 4.930 4.100 3.748 4.272 . 0 0 "[ . 1 . 2]" 2
1010 1 18 GLN H 1 18 GLN HG2 . . 4.570 4.479 4.443 4.536 . 0 0 "[ . 1 . 2]" 2
1011 1 18 GLN HA 1 18 GLN HG2 . . 4.030 2.793 2.773 2.811 . 0 0 "[ . 1 . 2]" 2
1012 1 18 GLN HG2 1 23 ASN HA . . 3.810 3.463 3.396 3.518 . 0 0 "[ . 1 . 2]" 2
1013 1 18 GLN HG2 1 23 ASN QB . . 4.730 3.573 3.323 3.652 . 0 0 "[ . 1 . 2]" 2
1014 1 18 GLN HA 1 18 GLN HG3 . . 4.070 2.342 2.324 2.360 . 0 0 "[ . 1 . 2]" 2
1015 1 18 GLN HG3 1 25 LYS HA . . 4.490 2.305 2.167 2.383 . 0 0 "[ . 1 . 2]" 2
1016 1 18 GLN HG3 1 23 ASN QB . . 5.150 5.113 4.876 5.192 0.042 1 0 "[ . 1 . 2]" 2
1017 1 18 GLN HG3 1 25 LYS HG2 . . 4.570 2.390 2.085 2.728 . 0 0 "[ . 1 . 2]" 2
1018 1 76 MET H 1 77 ARG QB . . 5.300 4.629 4.540 4.757 . 0 0 "[ . 1 . 2]" 2
1019 1 77 ARG QB 1 78 THR H . . 5.460 3.855 3.552 4.001 . 0 0 "[ . 1 . 2]" 2
1020 1 92 VAL HA 1 92 VAL MG1 . . 3.160 2.269 2.168 2.411 . 0 0 "[ . 1 . 2]" 2
1021 1 59 GLN HG2 1 60 GLU H . . 5.090 4.846 4.569 5.090 0.000 3 0 "[ . 1 . 2]" 2
1022 1 59 GLN HA 1 59 GLN HG2 . . 3.510 2.373 2.235 2.644 . 0 0 "[ . 1 . 2]" 2
1023 1 55 PRO HB2 1 59 GLN HG2 . . 5.500 5.248 4.172 5.495 . 0 0 "[ . 1 . 2]" 2
1024 1 58 LYS QD 1 59 GLN HG2 . . 4.520 3.053 2.011 4.164 . 0 0 "[ . 1 . 2]" 2
1025 1 59 GLN H 1 59 GLN HG3 . . 3.710 2.432 2.027 3.424 . 0 0 "[ . 1 . 2]" 2
1026 1 56 GLU HA 1 59 GLN HG3 . . 3.620 2.670 2.117 3.210 . 0 0 "[ . 1 . 2]" 2
1027 1 59 GLN HG3 1 60 GLU H . . 4.650 4.401 4.086 4.652 0.002 4 0 "[ . 1 . 2]" 2
1028 1 55 PRO HB2 1 59 GLN HG3 . . 5.120 4.119 3.474 4.681 . 0 0 "[ . 1 . 2]" 2
1029 1 58 LYS QD 1 59 GLN HG3 . . 4.190 3.461 2.428 4.163 . 0 0 "[ . 1 . 2]" 2
1030 1 62 GLU HB2 1 63 SER QB . . 5.140 4.469 4.239 5.161 0.021 10 0 "[ . 1 . 2]" 2
1031 1 79 PHE QE 1 85 ILE HA . . 4.640 3.161 3.027 3.277 . 0 0 "[ . 1 . 2]" 2
1032 1 84 SER QB 1 85 ILE HA . . 4.610 3.834 3.783 4.009 . 0 0 "[ . 1 . 2]" 2
1033 1 79 PHE QD 1 85 ILE HA . . 4.650 3.226 3.114 3.369 . 0 0 "[ . 1 . 2]" 2
1034 1 85 ILE HA 1 88 HIS HB3 . . 4.010 2.359 2.243 2.458 . 0 0 "[ . 1 . 2]" 2
1035 1 85 ILE HA 1 88 HIS HB2 . . 4.280 3.453 3.298 3.579 . 0 0 "[ . 1 . 2]" 2
1036 1 93 HIS HB3 1 95 GLN QG . . 4.110 2.880 2.525 3.368 . 0 0 "[ . 1 . 2]" 2
1037 1 93 HIS HB2 1 95 GLN QG . . 4.290 3.559 2.283 4.163 . 0 0 "[ . 1 . 2]" 2
1038 1 61 HIS HA 1 64 LYS HB2 . . 5.190 4.822 3.364 5.102 . 0 0 "[ . 1 . 2]" 2
1039 1 15 GLU HA 1 16 VAL HB . . 4.840 4.569 4.384 4.663 . 0 0 "[ . 1 . 2]" 2
1040 1 16 VAL H 1 16 VAL HB . . 3.380 3.126 2.998 3.284 . 0 0 "[ . 1 . 2]" 2
1041 1 64 LYS HB3 1 65 CYS H . . 4.780 4.558 4.347 4.632 . 0 0 "[ . 1 . 2]" 2
1042 1 64 LYS H 1 64 LYS HB3 . . 3.780 3.079 2.893 3.671 . 0 0 "[ . 1 . 2]" 2
1043 1 61 HIS HA 1 64 LYS HB3 . . 5.190 4.827 4.473 5.192 0.002 4 0 "[ . 1 . 2]" 2
1044 1 79 PHE QD 1 84 SER QB . . 3.520 2.573 2.006 2.891 . 0 0 "[ . 1 . 2]" 2
1045 1 79 PHE QE 1 84 SER QB . . 4.630 4.176 3.714 4.617 . 0 0 "[ . 1 . 2]" 2
1046 1 79 PHE HA 1 84 SER QB . . 5.200 4.907 4.544 5.137 . 0 0 "[ . 1 . 2]" 2
1047 1 79 PHE HB3 1 84 SER QB . . 4.030 2.768 2.488 2.979 . 0 0 "[ . 1 . 2]" 2
1048 1 79 PHE HB2 1 84 SER QB . . 4.030 3.818 3.420 4.016 . 0 0 "[ . 1 . 2]" 2
1049 1 80 LYS H 1 84 SER QB . . 4.610 3.515 3.179 3.753 . 0 0 "[ . 1 . 2]" 2
1050 1 84 SER QB 1 85 ILE HB . . 4.230 3.972 3.836 4.200 . 0 0 "[ . 1 . 2]" 2
1051 1 62 GLU HB3 1 63 SER QB . . 5.220 4.582 4.397 5.244 0.024 10 0 "[ . 1 . 2]" 2
1052 1 19 CYS HA 1 32 GLN HG2 . . 4.780 3.924 3.534 4.125 . 0 0 "[ . 1 . 2]" 2
1053 1 99 ALA MB 1 100 PRO HA . . 5.180 4.438 4.349 4.503 . 0 0 "[ . 1 . 2]" 2
1054 1 100 PRO HA 1 101 THR MG . . 5.500 4.430 3.436 5.500 . 0 0 "[ . 1 . 2]" 2
1055 1 39 CYS HA 1 53 PHE QE . . 5.360 5.088 4.501 5.363 0.003 13 0 "[ . 1 . 2]" 2
1056 1 39 CYS HA 1 41 ASN H . . 4.500 4.388 4.021 4.512 0.012 4 0 "[ . 1 . 2]" 2
1057 1 38 LEU HB2 1 39 CYS HA . . 4.810 4.168 4.081 4.244 . 0 0 "[ . 1 . 2]" 2
1058 1 38 LEU HG 1 39 CYS HA . . 5.350 4.413 4.268 4.538 . 0 0 "[ . 1 . 2]" 2
1059 1 48 CYS HB2 1 67 TYR QD . . 4.030 3.661 3.423 3.916 . 0 0 "[ . 1 . 2]" 2
1060 1 32 GLN HG2 1 36 GLU HG3 . . 4.840 3.371 3.103 4.589 . 0 0 "[ . 1 . 2]" 2
1061 1 32 GLN HG2 1 36 GLU HG2 . . 4.840 4.660 3.346 4.848 0.008 8 0 "[ . 1 . 2]" 2
1062 1 26 LEU MD1 1 32 GLN HG2 . . 5.500 5.469 5.385 5.522 0.022 7 0 "[ . 1 . 2]" 2
1063 1 26 LEU MD1 1 32 GLN HG3 . . 4.840 4.529 4.379 4.653 . 0 0 "[ . 1 . 2]" 2
1064 1 98 MET H 1 98 MET HB3 . . 4.110 3.290 2.162 3.809 . 0 0 "[ . 1 . 2]" 2
1065 1 14 LYS H 1 14 LYS HB3 . . 4.190 3.194 2.364 3.925 . 0 0 "[ . 1 . 2]" 2
1066 1 14 LYS HB3 1 15 GLU H . . 4.590 3.175 2.096 4.342 . 0 0 "[ . 1 . 2]" 2
1067 1 30 LEU MD1 1 34 SER QB . . 5.400 4.569 2.585 5.352 . 0 0 "[ . 1 . 2]" 2
1068 1 32 GLN H 1 34 SER QB . . 5.450 4.996 4.603 5.483 0.033 12 0 "[ . 1 . 2]" 2
1069 1 33 GLY H 1 34 SER QB . . 5.500 4.571 4.251 5.059 . 0 0 "[ . 1 . 2]" 2
1070 1 30 LEU HG 1 34 SER QB . . 5.360 4.147 3.418 5.354 . 0 0 "[ . 1 . 2]" 2
1071 1 34 SER QB 1 38 LEU HG . . 5.500 5.123 4.910 5.335 . 0 0 "[ . 1 . 2]" 2
1072 1 22 CYS HB3 1 23 ASN H . . 4.650 4.363 4.275 4.528 . 0 0 "[ . 1 . 2]" 2
1073 1 98 MET HB3 1 99 ALA H . . 4.570 3.807 2.545 4.657 0.087 14 0 "[ . 1 . 2]" 2
1074 1 25 LYS HB2 1 26 LEU H . . 4.500 4.272 4.143 4.368 . 0 0 "[ . 1 . 2]" 2
1075 1 25 LYS HB3 1 26 LEU H . . 4.280 3.299 3.149 3.459 . 0 0 "[ . 1 . 2]" 2
1076 1 25 LYS H 1 25 LYS HB3 . . 3.660 3.581 3.560 3.597 . 0 0 "[ . 1 . 2]" 2
1077 1 83 PHE QE 1 86 TRP HZ3 . . 4.060 3.492 3.076 4.051 . 0 0 "[ . 1 . 2]" 2
1078 1 76 MET H 1 76 MET HG2 . . 4.340 2.838 2.204 4.344 0.004 15 0 "[ . 1 . 2]" 2
1079 1 11 VAL HB 1 12 GLU H . . 4.860 3.998 2.899 4.483 . 0 0 "[ . 1 . 2]" 2
1080 1 16 VAL MG2 1 25 LYS HB2 . . 4.700 3.635 3.466 3.786 . 0 0 "[ . 1 . 2]" 2
1081 1 71 THR HA 1 78 THR HA . . 4.230 2.012 1.987 2.094 . 0 0 "[ . 1 . 2]" 2
1082 1 44 VAL MG1 1 49 SER HB3 . . 4.920 4.007 3.297 4.638 . 0 0 "[ . 1 . 2]" 2
1083 1 44 VAL MG1 1 49 SER HB2 . . 4.920 4.295 2.996 4.753 . 0 0 "[ . 1 . 2]" 2
1084 1 76 MET HA 1 76 MET HG2 . . 4.040 2.751 2.359 3.616 . 0 0 "[ . 1 . 2]" 2
1085 1 76 MET HA 1 76 MET HG3 . . 4.040 3.544 2.430 3.790 . 0 0 "[ . 1 . 2]" 2
1086 1 47 TYR QD 1 68 LYS HB2 . . 4.710 2.829 2.199 3.673 . 0 0 "[ . 1 . 2]" 2
1087 1 65 CYS HB3 1 68 LYS HB2 . . 4.380 2.060 1.973 2.552 . 0 0 "[ . 1 . 2]" 2
1088 1 47 TYR QD 1 68 LYS HB3 . . 4.710 4.421 3.815 4.731 0.021 5 0 "[ . 1 . 2]" 2
1089 1 65 CYS HB3 1 68 LYS HB3 . . 4.380 2.968 2.539 3.297 . 0 0 "[ . 1 . 2]" 2
1090 1 83 PHE QD 1 84 SER HA . . 4.470 3.420 2.879 3.860 . 0 0 "[ . 1 . 2]" 2
1091 1 84 SER HA 1 87 ARG QB . . 4.180 3.892 3.659 4.092 . 0 0 "[ . 1 . 2]" 2
1092 1 65 CYS HA 1 66 GLU HA . . 4.510 4.381 4.339 4.440 . 0 0 "[ . 1 . 2]" 2
1093 1 64 LYS H 1 65 CYS HA . . 4.720 4.554 4.399 4.690 . 0 0 "[ . 1 . 2]" 2
1094 1 55 PRO HB2 1 56 GLU H . . 4.140 3.566 3.342 3.936 . 0 0 "[ . 1 . 2]" 2
1095 1 55 PRO HB2 1 56 GLU HA . . 4.860 4.173 4.075 4.338 . 0 0 "[ . 1 . 2]" 2
1096 1 69 LYS HB3 1 70 LEU H . . 4.860 3.920 3.413 4.215 . 0 0 "[ . 1 . 2]" 2
1097 1 69 LYS HB3 1 69 LYS QE . . 4.720 3.850 3.195 4.329 . 0 0 "[ . 1 . 2]" 2
1098 1 69 LYS H 1 69 LYS HB2 . . 3.800 3.482 2.587 3.607 . 0 0 "[ . 1 . 2]" 2
1099 1 50 LEU HA 1 51 ARG QB . . 4.340 4.257 4.142 4.348 0.008 3 0 "[ . 1 . 2]" 2
1100 1 44 VAL MG2 1 51 ARG QB . . 3.910 3.823 3.498 3.922 0.012 15 0 "[ . 1 . 2]" 2
1101 1 83 PHE HA 1 86 TRP H . . 4.560 3.658 3.409 3.881 . 0 0 "[ . 1 . 2]" 2
1102 1 101 THR HA 1 101 THR MG . . 3.510 2.714 2.199 3.207 . 0 0 "[ . 1 . 2]" 2
1103 1 44 VAL HA 1 45 CYS HB3 . . 5.000 4.695 4.625 4.859 . 0 0 "[ . 1 . 2]" 2
1104 1 45 CYS HB3 1 61 HIS HD2 . . 4.110 3.847 3.612 4.080 . 0 0 "[ . 1 . 2]" 2
1105 1 45 CYS HB3 1 52 PHE QE . . 4.440 4.048 3.559 4.269 . 0 0 "[ . 1 . 2]" 2
1106 1 45 CYS HB3 1 46 PRO HD2 . . 5.250 4.313 4.251 4.367 . 0 0 "[ . 1 . 2]" 2
1107 1 45 CYS HB3 1 49 SER HA . . 5.470 3.770 3.621 3.867 . 0 0 "[ . 1 . 2]" 2
1108 1 45 CYS HB2 1 52 PHE QE . . 4.130 2.998 2.640 3.361 . 0 0 "[ . 1 . 2]" 2
1109 1 45 CYS HB2 1 49 SER H . . 4.780 4.549 4.283 4.796 0.016 9 0 "[ . 1 . 2]" 2
1110 1 45 CYS HB2 1 61 HIS HD2 . . 3.910 2.822 2.590 3.119 . 0 0 "[ . 1 . 2]" 2
1111 1 45 CYS HB2 1 46 PRO HD2 . . 4.680 4.060 3.965 4.264 . 0 0 "[ . 1 . 2]" 2
1112 1 58 LYS H 1 58 LYS HB2 . . 4.080 2.966 2.418 3.600 . 0 0 "[ . 1 . 2]" 2
1113 1 18 GLN HB3 1 25 LYS HA . . 4.910 4.511 4.427 4.592 . 0 0 "[ . 1 . 2]" 2
1114 1 18 GLN HB3 1 23 ASN HA . . 3.860 2.541 2.314 2.684 . 0 0 "[ . 1 . 2]" 2
1115 1 16 VAL MG1 1 18 GLN HB3 . . 5.180 4.820 4.596 5.054 . 0 0 "[ . 1 . 2]" 2
1116 1 18 GLN HB2 1 25 LYS HA . . 4.550 4.557 4.512 4.574 0.024 2 0 "[ . 1 . 2]" 2
1117 1 16 VAL MG1 1 18 GLN HB2 . . 4.220 3.674 3.345 3.899 . 0 0 "[ . 1 . 2]" 2
1118 1 18 GLN HB2 1 19 CYS H . . 4.280 4.125 4.018 4.195 . 0 0 "[ . 1 . 2]" 2
1119 1 17 TYR HA 1 18 GLN HB2 . . 4.760 4.367 4.322 4.417 . 0 0 "[ . 1 . 2]" 2
1120 1 18 GLN HB2 1 23 ASN HA . . 5.020 4.274 4.024 4.429 . 0 0 "[ . 1 . 2]" 2
1121 1 86 TRP HE3 1 87 ARG HG3 . . 4.720 4.338 3.749 4.592 . 0 0 "[ . 1 . 2]" 2
1122 1 83 PHE HA 1 86 TRP HE3 . . 4.280 3.826 3.331 4.275 . 0 0 "[ . 1 . 2]" 2
1123 1 86 TRP HB3 1 86 TRP HE3 . . 4.150 2.410 2.399 2.469 . 0 0 "[ . 1 . 2]" 2
1124 1 83 PHE HA 1 86 TRP HB3 . . 4.100 2.803 2.438 3.055 . 0 0 "[ . 1 . 2]" 2
1125 1 16 VAL HA 1 17 TYR HA . . 4.420 4.357 4.349 4.365 . 0 0 "[ . 1 . 2]" 2
1126 1 16 VAL HA 1 16 VAL MG2 . . 2.930 2.218 2.141 2.271 . 0 0 "[ . 1 . 2]" 2
1127 1 19 CYS HB3 1 35 HIS HD2 . . 4.450 3.838 3.364 4.055 . 0 0 "[ . 1 . 2]" 2
1128 1 18 GLN HA 1 19 CYS HB3 . . 5.070 4.695 4.672 4.772 . 0 0 "[ . 1 . 2]" 2
1129 1 19 CYS HB3 1 23 ASN HA . . 4.570 3.485 3.387 3.593 . 0 0 "[ . 1 . 2]" 2
1130 1 19 CYS HB3 1 26 LEU MD1 . . 5.290 5.185 5.042 5.305 0.015 11 0 "[ . 1 . 2]" 2
1131 1 19 CYS HB2 1 35 HIS HD2 . . 4.030 2.640 2.143 2.867 . 0 0 "[ . 1 . 2]" 2
1132 1 18 GLN HA 1 19 CYS HB2 . . 4.530 4.548 4.507 4.573 0.043 12 0 "[ . 1 . 2]" 2
1133 1 19 CYS HB2 1 23 ASN H . . 4.590 4.322 4.082 4.621 0.031 7 0 "[ . 1 . 2]" 2
1134 1 86 TRP HA 1 89 GLN HB3 . . 5.110 4.725 4.541 4.936 . 0 0 "[ . 1 . 2]" 2
1135 1 44 VAL HB 1 49 SER HA . . 5.400 5.184 4.914 5.366 . 0 0 "[ . 1 . 2]" 2
1136 1 48 CYS H 1 49 SER HA . . 4.390 4.352 4.257 4.401 0.011 4 0 "[ . 1 . 2]" 2
1137 1 36 GLU HA 1 40 ARG H . . 5.010 4.541 3.889 4.897 . 0 0 "[ . 1 . 2]" 2
1138 1 36 GLU HA 1 36 GLU HG3 . . 3.870 3.133 2.638 3.593 . 0 0 "[ . 1 . 2]" 2
1139 1 36 GLU HA 1 36 GLU HG2 . . 3.870 2.288 2.158 3.686 . 0 0 "[ . 1 . 2]" 2
1140 1 36 GLU HA 1 39 CYS HB2 . . 3.890 3.724 3.583 3.875 . 0 0 "[ . 1 . 2]" 2
1141 1 62 GLU HA 1 65 CYS H . . 3.940 3.348 2.925 3.484 . 0 0 "[ . 1 . 2]" 2
1142 1 61 HIS HD2 1 62 GLU HA . . 3.870 3.065 2.896 3.277 . 0 0 "[ . 1 . 2]" 2
1143 1 62 GLU HA 1 65 CYS HB2 . . 3.440 2.066 1.976 2.252 . 0 0 "[ . 1 . 2]" 2
1144 1 32 GLN HA 1 32 GLN HG2 . . 3.900 2.902 2.766 2.967 . 0 0 "[ . 1 . 2]" 2
1145 1 62 GLU HA 1 65 CYS HB3 . . 3.830 2.644 2.271 2.963 . 0 0 "[ . 1 . 2]" 2
1146 1 35 HIS HA 1 39 CYS H . . 4.720 3.894 3.589 4.048 . 0 0 "[ . 1 . 2]" 2
1147 1 35 HIS HA 1 38 LEU H . . 4.240 3.526 3.371 3.704 . 0 0 "[ . 1 . 2]" 2
1148 1 35 HIS HA 1 38 LEU HG . . 3.770 2.373 2.163 2.581 . 0 0 "[ . 1 . 2]" 2
1149 1 35 HIS HA 1 38 LEU HB3 . . 5.500 5.029 4.764 5.320 . 0 0 "[ . 1 . 2]" 2
1150 1 67 TYR HA 1 69 LYS QG . . 5.500 4.172 3.653 5.485 . 0 0 "[ . 1 . 2]" 2
1151 1 67 TYR HA 1 70 LEU MD2 . . 5.370 4.658 4.368 4.977 . 0 0 "[ . 1 . 2]" 2
1152 1 35 HIS HA 1 38 LEU MD1 . . 4.120 2.605 2.203 2.957 . 0 0 "[ . 1 . 2]" 2
1153 1 26 LEU HB3 1 32 GLN HA . . 4.580 4.223 4.183 4.298 . 0 0 "[ . 1 . 2]" 2
1154 1 26 LEU HG 1 32 GLN HA . . 3.600 2.017 1.991 2.138 . 0 0 "[ . 1 . 2]" 2
1155 1 32 GLN HA 1 35 HIS HB3 . . 4.170 2.825 2.661 3.014 . 0 0 "[ . 1 . 2]" 2
1156 1 58 LYS QD 1 62 GLU HB2 . . 4.540 3.299 2.856 3.649 . 0 0 "[ . 1 . 2]" 2
1157 1 61 HIS HD2 1 62 GLU HB3 . . 5.340 5.212 5.149 5.302 . 0 0 "[ . 1 . 2]" 2
1158 1 62 GLU H 1 62 GLU HB3 . . 3.600 3.546 3.499 3.570 . 0 0 "[ . 1 . 2]" 2
1159 1 59 GLN HA 1 62 GLU HB3 . . 4.720 4.326 4.046 4.611 . 0 0 "[ . 1 . 2]" 2
1160 1 31 GLU H 1 31 GLU HB3 . . 3.610 3.019 2.914 3.094 . 0 0 "[ . 1 . 2]" 2
1161 1 26 LEU HG 1 31 GLU HB3 . . 4.040 2.616 2.531 2.687 . 0 0 "[ . 1 . 2]" 2
1162 1 26 LEU HB3 1 31 GLU HB3 . . 3.920 2.112 2.001 2.267 . 0 0 "[ . 1 . 2]" 2
1163 1 28 SER H 1 31 GLU HB2 . . 3.770 2.888 2.745 3.092 . 0 0 "[ . 1 . 2]" 2
1164 1 26 LEU MD1 1 31 GLU HB2 . . 4.390 3.534 3.446 3.716 . 0 0 "[ . 1 . 2]" 2
1165 1 26 LEU MD2 1 31 GLU HB2 . . 5.500 5.508 5.465 5.542 0.042 12 0 "[ . 1 . 2]" 2
1166 1 91 GLU HB2 1 92 VAL MG2 . . 4.130 2.801 2.709 2.894 . 0 0 "[ . 1 . 2]" 2
1167 1 37 ARG HB3 1 38 LEU H . . 4.110 3.383 3.235 3.609 . 0 0 "[ . 1 . 2]" 2
1168 1 91 GLU HB3 1 92 VAL MG2 . . 3.670 3.437 3.345 3.553 . 0 0 "[ . 1 . 2]" 2
1169 1 15 GLU QB 1 16 VAL H . . 3.450 3.339 2.976 3.494 0.044 2 0 "[ . 1 . 2]" 2
1170 1 15 GLU QB 1 17 TYR QE . . 3.990 3.799 3.460 3.978 . 0 0 "[ . 1 . 2]" 2
1171 1 40 ARG H 1 40 ARG HB2 . . 3.650 2.697 2.246 3.695 0.045 19 0 "[ . 1 . 2]" 2
1172 1 40 ARG H 1 40 ARG HB3 . . 3.650 3.020 2.504 3.604 . 0 0 "[ . 1 . 2]" 2
1173 1 79 PHE QD 1 85 ILE HG12 . . 4.760 4.371 4.141 4.623 . 0 0 "[ . 1 . 2]" 2
1174 1 79 PHE QE 1 85 ILE HG12 . . 5.010 4.357 4.094 4.739 . 0 0 "[ . 1 . 2]" 2
1175 1 85 ILE HG12 1 89 GLN HG2 . . 4.500 3.650 3.392 3.856 . 0 0 "[ . 1 . 2]" 2
1176 1 85 ILE HA 1 85 ILE HG12 . . 4.100 3.202 3.020 3.315 . 0 0 "[ . 1 . 2]" 2
1177 1 85 ILE HG13 1 88 HIS HD2 . . 4.740 2.710 2.508 2.999 . 0 0 "[ . 1 . 2]" 2
1178 1 85 ILE HA 1 85 ILE HG13 . . 4.100 2.433 2.337 2.526 . 0 0 "[ . 1 . 2]" 2
1179 1 85 ILE HG13 1 89 GLN HG2 . . 4.500 4.059 3.761 4.391 . 0 0 "[ . 1 . 2]" 2
1180 1 89 GLN HA 1 91 GLU H . . 5.250 4.265 4.144 4.442 . 0 0 "[ . 1 . 2]" 2
1181 1 89 GLN HA 1 92 VAL H . . 5.480 3.808 3.557 3.979 . 0 0 "[ . 1 . 2]" 2
1182 1 89 GLN HA 1 93 HIS HD2 . . 3.530 2.112 1.984 2.237 . 0 0 "[ . 1 . 2]" 2
1183 1 89 GLN HA 1 93 HIS HB3 . . 4.180 4.079 3.820 4.214 0.034 2 0 "[ . 1 . 2]" 2
1184 1 89 GLN HA 1 93 HIS HB2 . . 4.060 2.381 2.104 2.513 . 0 0 "[ . 1 . 2]" 2
1185 1 89 GLN HA 1 89 GLN HG3 . . 3.910 3.163 3.067 3.364 . 0 0 "[ . 1 . 2]" 2
1186 1 47 TYR QD 1 68 LYS HA . . 3.960 3.013 1.967 3.384 . 0 0 "[ . 1 . 2]" 2
1187 1 67 TYR HA 1 68 LYS HA . . 5.440 4.915 4.855 4.992 . 0 0 "[ . 1 . 2]" 2
1188 1 68 LYS HA 1 69 LYS HA . . 5.500 4.768 4.678 4.851 . 0 0 "[ . 1 . 2]" 2
1189 1 47 TYR HB3 1 68 LYS HA . . 4.550 2.798 2.285 3.484 . 0 0 "[ . 1 . 2]" 2
1190 1 47 TYR HB2 1 68 LYS HA . . 4.550 3.902 3.575 4.318 . 0 0 "[ . 1 . 2]" 2
1191 1 68 LYS HA 1 71 THR MG . . 4.730 4.119 3.808 4.423 . 0 0 "[ . 1 . 2]" 2
1192 1 68 LYS HA 1 68 LYS HG3 . . 3.920 2.728 2.508 3.176 . 0 0 "[ . 1 . 2]" 2
1193 1 68 LYS HA 1 68 LYS HG2 . . 3.920 3.460 2.922 3.913 . 0 0 "[ . 1 . 2]" 2
1194 1 58 LYS HA 1 61 HIS HA . . 5.500 5.277 5.102 5.505 0.005 20 0 "[ . 1 . 2]" 2
1195 1 58 LYS HA 1 61 HIS QB . . 3.670 2.445 2.265 2.639 . 0 0 "[ . 1 . 2]" 2
1196 1 58 LYS HA 1 58 LYS QG . . 3.690 2.797 2.303 3.462 . 0 0 "[ . 1 . 2]" 2
1197 1 72 CYS HB3 1 85 ILE MD . . 4.840 3.309 3.070 3.537 . 0 0 "[ . 1 . 2]" 2
1198 1 19 CYS HA 1 20 ARG HB2 . . 4.860 4.572 4.477 4.886 0.026 7 0 "[ . 1 . 2]" 2
1199 1 58 LYS QD 1 59 GLN H . . 4.530 2.688 2.165 3.076 . 0 0 "[ . 1 . 2]" 2
1200 1 55 PRO HA 1 58 LYS QD . . 5.210 4.668 3.497 5.241 0.031 16 0 "[ . 1 . 2]" 2
1201 1 58 LYS H 1 58 LYS QD . . 4.880 4.011 3.520 4.451 . 0 0 "[ . 1 . 2]" 2
1202 1 45 CYS HA 1 58 LYS QD . . 4.750 3.438 2.335 4.757 0.007 2 0 "[ . 1 . 2]" 2
1203 1 58 LYS QD 1 59 GLN HA . . 4.030 2.357 1.994 2.661 . 0 0 "[ . 1 . 2]" 2
1204 1 58 LYS HA 1 58 LYS QD . . 4.620 3.549 3.346 3.795 . 0 0 "[ . 1 . 2]" 2
1205 1 43 ALA HA 1 58 LYS QD . . 5.340 4.890 4.182 5.297 . 0 0 "[ . 1 . 2]" 2
1206 1 58 LYS QD 1 59 GLN QB . . 4.560 3.886 3.473 4.348 . 0 0 "[ . 1 . 2]" 2
1207 1 58 LYS QD 1 62 GLU HB3 . . 5.120 4.439 3.965 4.982 . 0 0 "[ . 1 . 2]" 2
1208 1 68 LYS HA 1 68 LYS QD . . 4.860 3.481 2.357 4.100 . 0 0 "[ . 1 . 2]" 2
1209 1 67 TYR H 1 67 TYR QE . . 5.060 4.751 4.179 5.037 . 0 0 "[ . 1 . 2]" 2
1210 1 79 PHE QE 1 88 HIS HA . . 5.160 4.959 4.765 5.089 . 0 0 "[ . 1 . 2]" 2
1211 1 52 PHE QD 1 58 LYS HA . . 4.260 3.382 3.139 3.783 . 0 0 "[ . 1 . 2]" 2
1212 1 57 LEU HA 1 60 GLU QB . . 4.050 3.847 3.399 4.090 0.040 16 0 "[ . 1 . 2]" 2
1213 1 57 LEU MD2 1 60 GLU QB . . 4.690 4.187 3.686 4.656 . 0 0 "[ . 1 . 2]" 2
1214 1 66 GLU H 1 66 GLU HB3 . . 3.870 2.648 2.374 2.808 . 0 0 "[ . 1 . 2]" 2
1215 1 66 GLU HB3 1 67 TYR QD . . 5.000 4.760 4.236 5.012 0.012 2 0 "[ . 1 . 2]" 2
1216 1 65 CYS HA 1 66 GLU HB3 . . 4.910 4.629 4.395 4.890 . 0 0 "[ . 1 . 2]" 2
1217 1 66 GLU HB3 1 67 TYR H . . 4.410 4.096 3.894 4.344 . 0 0 "[ . 1 . 2]" 2
1218 1 62 GLU QG 1 68 LYS QD . . 4.510 4.003 3.423 4.518 0.008 2 0 "[ . 1 . 2]" 2
1219 1 67 TYR HA 1 67 TYR QE . . 4.870 4.498 4.260 4.682 . 0 0 "[ . 1 . 2]" 2
1220 1 48 CYS HB2 1 67 TYR QE . . 4.320 3.921 3.467 4.312 . 0 0 "[ . 1 . 2]" 2
1221 1 48 CYS HB3 1 67 TYR QE . . 4.320 3.810 3.217 4.186 . 0 0 "[ . 1 . 2]" 2
1222 1 67 TYR QE 1 70 LEU MD1 . . 4.130 3.991 3.650 4.175 0.045 19 0 "[ . 1 . 2]" 2
1223 1 47 TYR HA 1 47 TYR QE . . 4.720 4.388 4.328 4.639 . 0 0 "[ . 1 . 2]" 2
1224 1 46 PRO HD2 1 47 TYR QE . . 4.820 4.379 3.415 4.612 . 0 0 "[ . 1 . 2]" 2
1225 1 47 TYR QE 1 62 GLU HA . . 4.550 3.408 3.033 4.223 . 0 0 "[ . 1 . 2]" 2
1226 1 47 TYR QE 1 62 GLU HB2 . . 4.590 4.091 3.746 4.438 . 0 0 "[ . 1 . 2]" 2
1227 1 47 TYR QE 1 62 GLU HB3 . . 4.720 2.583 2.210 3.145 . 0 0 "[ . 1 . 2]" 2
1228 1 46 PRO HG3 1 47 TYR QE . . 4.830 4.694 4.097 4.855 0.025 4 0 "[ . 1 . 2]" 2
1229 1 47 TYR QE 1 68 LYS QD . . 3.950 2.511 1.977 3.853 . 0 0 "[ . 1 . 2]" 2
1230 1 46 PRO HB2 1 47 TYR QE . . 5.500 4.329 3.958 4.892 . 0 0 "[ . 1 . 2]" 2
1231 1 47 TYR QE 1 68 LYS HA . . 4.760 3.676 3.301 4.177 . 0 0 "[ . 1 . 2]" 2
1232 1 17 TYR QE 1 29 LEU HA . . 4.500 3.255 2.979 3.399 . 0 0 "[ . 1 . 2]" 2
1233 1 95 GLN H 1 95 GLN HB2 . . 3.980 2.433 2.145 3.669 . 0 0 "[ . 1 . 2]" 2
1234 1 90 VAL HA 1 95 GLN HB2 . . 5.500 4.516 4.206 5.443 . 0 0 "[ . 1 . 2]" 2
1235 1 17 TYR QE 1 29 LEU H . . 4.220 2.078 1.897 2.285 . 0 0 "[ . 1 . 2]" 2
1236 1 17 TYR HA 1 17 TYR QE . . 4.450 4.430 4.403 4.464 0.014 16 0 "[ . 1 . 2]" 2
1237 1 17 TYR QE 1 28 SER HA . . 3.760 2.955 2.753 3.172 . 0 0 "[ . 1 . 2]" 2
1238 1 16 VAL HA 1 17 TYR QE . . 4.960 4.811 4.626 4.925 . 0 0 "[ . 1 . 2]" 2
1239 1 17 TYR QE 1 29 LEU HB3 . . 4.170 4.054 3.831 4.190 0.020 16 0 "[ . 1 . 2]" 2
1240 1 16 VAL MG2 1 17 TYR QE . . 5.500 5.524 5.498 5.546 0.046 16 0 "[ . 1 . 2]" 2
1241 1 59 GLN HA 1 62 GLU QG . . 4.180 4.127 3.948 4.215 0.035 16 0 "[ . 1 . 2]" 2
1242 1 59 GLN HA 1 59 GLN HG3 . . 3.530 3.218 2.925 3.664 0.134 4 0 "[ . 1 . 2]" 2
1243 1 59 GLN HA 1 62 GLU H . . 4.050 3.803 3.612 3.930 . 0 0 "[ . 1 . 2]" 2
1244 1 58 LYS QG 1 59 GLN HA . . 4.870 4.050 3.490 4.618 . 0 0 "[ . 1 . 2]" 2
1245 1 66 GLU HA 1 69 LYS QE . . 4.580 3.445 2.099 4.564 . 0 0 "[ . 1 . 2]" 2
1246 1 59 GLN HA 1 62 GLU HB2 . . 3.500 2.820 2.540 3.011 . 0 0 "[ . 1 . 2]" 2
1247 1 66 GLU HA 1 69 LYS QG . . 4.480 3.530 2.686 4.382 . 0 0 "[ . 1 . 2]" 2
1248 1 37 ARG HA 1 37 ARG HG2 . . 3.990 2.758 2.293 3.866 . 0 0 "[ . 1 . 2]" 2
1249 1 91 GLU HA 1 91 GLU HG3 . . 3.510 3.365 3.324 3.387 . 0 0 "[ . 1 . 2]" 2
1250 1 90 VAL HB 1 91 GLU HA . . 4.840 4.521 4.382 4.590 . 0 0 "[ . 1 . 2]" 2
1251 1 35 HIS HD2 1 39 CYS HB2 . . 4.460 3.339 2.950 3.690 . 0 0 "[ . 1 . 2]" 2
1252 1 35 HIS HE1 1 39 CYS HB2 . . 5.410 3.681 3.433 4.002 . 0 0 "[ . 1 . 2]" 2
1253 1 38 LEU H 1 39 CYS HB2 . . 4.940 4.692 4.476 4.829 . 0 0 "[ . 1 . 2]" 2
1254 1 39 CYS HB3 1 40 ARG H . . 4.530 3.619 3.203 3.866 . 0 0 "[ . 1 . 2]" 2
1255 1 35 HIS HD2 1 39 CYS HB3 . . 4.460 3.330 3.108 3.811 . 0 0 "[ . 1 . 2]" 2
1256 1 38 LEU H 1 39 CYS HB3 . . 4.940 4.572 4.269 4.686 . 0 0 "[ . 1 . 2]" 2
1257 1 64 LYS QG 1 65 CYS HB2 . . 5.500 4.653 4.267 5.519 0.019 19 0 "[ . 1 . 2]" 2
1258 1 69 LYS H 1 69 LYS QD . . 4.010 3.591 1.846 3.970 . 0 0 "[ . 1 . 2]" 2
1259 1 69 LYS HA 1 69 LYS QD . . 4.480 4.201 3.773 4.403 . 0 0 "[ . 1 . 2]" 2
1260 1 66 GLU HA 1 69 LYS QD . . 4.210 3.732 2.629 4.273 0.063 19 0 "[ . 1 . 2]" 2
1261 1 69 LYS QD 1 70 LEU MD2 . . 4.700 3.966 2.408 4.609 . 0 0 "[ . 1 . 2]" 2
1262 1 25 LYS HA 1 25 LYS QD . . 4.150 4.020 3.799 4.201 0.051 9 0 "[ . 1 . 2]" 2
1263 1 25 LYS H 1 25 LYS QD . . 4.300 3.754 3.238 4.298 . 0 0 "[ . 1 . 2]" 2
1264 1 16 VAL MG2 1 25 LYS QD . . 3.620 2.802 2.057 3.571 . 0 0 "[ . 1 . 2]" 2
1265 1 31 GLU HA 1 35 HIS H . . 4.510 3.377 3.268 3.551 . 0 0 "[ . 1 . 2]" 2
1266 1 80 LYS H 1 80 LYS QD . . 4.700 3.635 1.905 4.559 . 0 0 "[ . 1 . 2]" 2
1267 1 80 LYS HA 1 80 LYS QD . . 3.990 2.907 1.971 3.988 . 0 0 "[ . 1 . 2]" 2
1268 1 14 LYS HA 1 14 LYS QD . . 4.460 3.446 2.023 4.399 . 0 0 "[ . 1 . 2]" 2
1269 1 17 TYR HB3 1 32 GLN HB3 . . 4.720 3.879 3.694 4.130 . 0 0 "[ . 1 . 2]" 2
1270 1 26 LEU HG 1 35 HIS HB3 . . 4.700 3.502 3.381 3.607 . 0 0 "[ . 1 . 2]" 2
1271 1 35 HIS HB2 1 36 GLU H . . 4.280 4.194 4.143 4.258 . 0 0 "[ . 1 . 2]" 2
1272 1 32 GLN HA 1 35 HIS HB2 . . 4.500 4.174 3.965 4.505 0.005 9 0 "[ . 1 . 2]" 2
1273 1 26 LEU HG 1 35 HIS HB2 . . 4.560 4.178 3.922 4.410 . 0 0 "[ . 1 . 2]" 2
1274 1 79 PHE QE 1 88 HIS HB3 . . 5.080 3.314 3.201 3.435 . 0 0 "[ . 1 . 2]" 2
1275 1 52 PHE QE 1 61 HIS QB . . 4.710 3.121 2.389 3.381 . 0 0 "[ . 1 . 2]" 2
1276 1 88 HIS HB2 1 89 GLN H . . 4.590 4.250 4.217 4.298 . 0 0 "[ . 1 . 2]" 2
1277 1 79 PHE QE 1 88 HIS HB2 . . 4.410 2.875 2.685 2.992 . 0 0 "[ . 1 . 2]" 2
1278 1 56 GLU HA 1 59 GLN QB . . 3.600 2.826 2.391 3.300 . 0 0 "[ . 1 . 2]" 2
1279 1 51 ARG HG2 1 52 PHE H . . 4.910 4.601 4.369 4.793 . 0 0 "[ . 1 . 2]" 2
1280 1 51 ARG H 1 51 ARG HG2 . . 4.610 4.349 4.057 4.472 . 0 0 "[ . 1 . 2]" 2
1281 1 51 ARG HA 1 51 ARG HG2 . . 4.090 2.580 2.279 2.775 . 0 0 "[ . 1 . 2]" 2
1282 1 50 LEU HA 1 51 ARG HG2 . . 5.270 5.022 4.695 5.173 . 0 0 "[ . 1 . 2]" 2
1283 1 51 ARG HA 1 51 ARG HG3 . . 4.160 2.974 2.807 3.308 . 0 0 "[ . 1 . 2]" 2
1284 1 51 ARG HG3 1 52 PHE H . . 5.480 5.089 4.936 5.401 . 0 0 "[ . 1 . 2]" 2
1285 1 30 LEU HA 1 32 GLN H . . 4.110 3.870 3.758 4.008 . 0 0 "[ . 1 . 2]" 2
1286 1 43 ALA MB 1 55 PRO HG2 . . 5.250 4.957 4.754 5.248 . 0 0 "[ . 1 . 2]" 2
1287 1 43 ALA MB 1 55 PRO HG3 . . 5.340 4.935 4.691 5.227 . 0 0 "[ . 1 . 2]" 2
1288 1 20 ARG H 1 20 ARG HG3 . . 4.190 3.642 2.276 3.856 . 0 0 "[ . 1 . 2]" 2
1289 1 20 ARG HA 1 20 ARG HG3 . . 3.850 3.602 2.324 3.803 . 0 0 "[ . 1 . 2]" 2
1290 1 20 ARG H 1 20 ARG HG2 . . 4.190 2.664 2.237 4.083 . 0 0 "[ . 1 . 2]" 2
1291 1 20 ARG HA 1 20 ARG HG2 . . 3.850 2.983 2.627 3.576 . 0 0 "[ . 1 . 2]" 2
1292 1 87 ARG QB 1 88 HIS HA . . 4.570 3.909 3.869 3.941 . 0 0 "[ . 1 . 2]" 2
1293 1 69 LYS HA 1 69 LYS QG . . 3.660 3.261 2.549 3.412 . 0 0 "[ . 1 . 2]" 2
1294 1 40 ARG HA 1 40 ARG QG . . 3.370 2.436 2.149 3.320 . 0 0 "[ . 1 . 2]" 2
1295 1 54 SER HA 1 55 PRO HG3 . . 4.560 4.490 4.429 4.527 . 0 0 "[ . 1 . 2]" 2
1296 1 37 ARG HA 1 37 ARG HG3 . . 3.990 2.923 2.552 3.599 . 0 0 "[ . 1 . 2]" 2
1297 1 21 LEU HA 1 21 LEU HG . . 3.680 3.250 3.215 3.302 . 0 0 "[ . 1 . 2]" 2
1298 1 56 GLU HB3 1 57 LEU HA . . 4.690 4.104 3.922 4.326 . 0 0 "[ . 1 . 2]" 2
1299 1 57 LEU HA 1 60 GLU HG3 . . 4.410 3.548 2.431 4.320 . 0 0 "[ . 1 . 2]" 2
1300 1 17 TYR QD 1 29 LEU HA . . 4.190 2.446 2.113 2.697 . 0 0 "[ . 1 . 2]" 2
1301 1 29 LEU HA 1 32 GLN HB3 . . 3.630 3.332 3.197 3.505 . 0 0 "[ . 1 . 2]" 2
1302 1 29 LEU HA 1 32 GLN HG2 . . 5.500 5.505 5.439 5.535 0.035 16 0 "[ . 1 . 2]" 2
1303 1 29 LEU HA 1 32 GLN HG3 . . 5.500 5.376 5.190 5.479 . 0 0 "[ . 1 . 2]" 2
1304 1 29 LEU HA 1 32 GLN HB2 . . 3.940 3.196 3.082 3.379 . 0 0 "[ . 1 . 2]" 2
1305 1 29 LEU HA 1 29 LEU MD2 . . 3.850 3.831 3.820 3.847 . 0 0 "[ . 1 . 2]" 2
1306 1 86 TRP HE3 1 87 ARG HA . . 4.890 4.105 3.196 4.684 . 0 0 "[ . 1 . 2]" 2
1307 1 87 ARG HA 1 87 ARG HD3 . . 4.340 3.690 3.453 3.848 . 0 0 "[ . 1 . 2]" 2
1308 1 87 ARG HA 1 91 GLU H . . 4.720 3.552 3.465 3.649 . 0 0 "[ . 1 . 2]" 2
1309 1 86 TRP HB2 1 86 TRP HE3 . . 4.170 3.823 3.702 4.024 . 0 0 "[ . 1 . 2]" 2
1310 1 83 PHE HA 1 86 TRP HB2 . . 4.060 2.886 2.681 3.244 . 0 0 "[ . 1 . 2]" 2
1311 1 26 LEU HG 1 27 SER H . . 4.520 4.021 3.866 4.185 . 0 0 "[ . 1 . 2]" 2
1312 1 26 LEU H 1 26 LEU HG . . 4.480 4.334 4.275 4.411 . 0 0 "[ . 1 . 2]" 2
1313 1 73 LEU HA 1 76 MET H . . 4.520 3.253 3.060 3.543 . 0 0 "[ . 1 . 2]" 2
1314 1 86 TRP HA 1 89 GLN HB2 . . 4.440 3.040 2.873 3.274 . 0 0 "[ . 1 . 2]" 2
1315 1 73 LEU HG 1 74 GLU H . . 4.770 4.162 4.046 4.429 . 0 0 "[ . 1 . 2]" 2
1316 1 72 CYS HA 1 73 LEU HG . . 4.530 4.018 3.922 4.186 . 0 0 "[ . 1 . 2]" 2
1317 1 73 LEU HA 1 73 LEU HG . . 4.020 3.248 3.176 3.350 . 0 0 "[ . 1 . 2]" 2
1318 1 17 TYR QD 1 28 SER HA . . 4.000 2.775 2.647 2.966 . 0 0 "[ . 1 . 2]" 2
1319 1 40 ARG H 1 40 ARG QG . . 4.170 3.636 2.416 4.158 . 0 0 "[ . 1 . 2]" 2
1320 1 30 LEU HA 1 30 LEU HG . . 3.600 2.760 2.319 3.691 0.091 13 0 "[ . 1 . 2]" 2
1321 1 30 LEU HG 1 31 GLU H . . 4.820 4.291 4.005 4.805 . 0 0 "[ . 1 . 2]" 2
1322 1 50 LEU HG 1 51 ARG H . . 4.400 4.180 4.117 4.239 . 0 0 "[ . 1 . 2]" 2
1323 1 50 LEU HA 1 50 LEU HG . . 4.030 2.579 2.494 2.653 . 0 0 "[ . 1 . 2]" 2
1324 1 38 LEU HA 1 38 LEU HG . . 3.760 3.661 3.633 3.681 . 0 0 "[ . 1 . 2]" 2
1325 1 67 TYR HA 1 70 LEU HG . . 4.270 3.501 2.894 3.989 . 0 0 "[ . 1 . 2]" 2
1326 1 29 LEU H 1 29 LEU HG . . 4.720 4.516 4.504 4.536 . 0 0 "[ . 1 . 2]" 2
1327 1 17 TYR QE 1 29 LEU HG . . 4.760 4.758 4.586 4.780 0.020 9 0 "[ . 1 . 2]" 2
1328 1 15 GLU HA 1 15 GLU HG2 . . 3.970 3.312 2.566 3.748 . 0 0 "[ . 1 . 2]" 2
1329 1 70 LEU H 1 70 LEU HG . . 4.090 2.472 1.918 2.942 . 0 0 "[ . 1 . 2]" 2
1330 1 70 LEU HA 1 70 LEU HG . . 4.180 3.046 2.818 3.251 . 0 0 "[ . 1 . 2]" 2
1331 1 14 LYS HA 1 15 GLU H . . 3.100 2.378 2.141 2.576 . 0 0 "[ . 1 . 2]" 2
1332 1 14 LYS HA 1 14 LYS QG . . 3.770 2.794 2.169 3.426 . 0 0 "[ . 1 . 2]" 2
1333 1 95 GLN HA 1 95 GLN QG . . 3.490 2.493 2.106 3.330 . 0 0 "[ . 1 . 2]" 2
1334 1 46 PRO HG3 1 47 TYR QD . . 5.420 5.105 4.517 5.229 . 0 0 "[ . 1 . 2]" 2
1335 1 45 CYS HA 1 46 PRO HG3 . . 4.410 4.318 4.314 4.328 . 0 0 "[ . 1 . 2]" 2
1336 1 53 PHE H 1 57 LEU MD1 . . 4.560 2.788 2.160 3.303 . 0 0 "[ . 1 . 2]" 2
1337 1 57 LEU H 1 57 LEU MD1 . . 3.770 3.650 3.452 3.772 0.002 7 0 "[ . 1 . 2]" 2
1338 1 53 PHE QD 1 57 LEU MD1 . . 4.190 3.147 2.698 3.509 . 0 0 "[ . 1 . 2]" 2
1339 1 52 PHE QD 1 57 LEU MD1 . . 4.190 2.833 2.338 3.393 . 0 0 "[ . 1 . 2]" 2
1340 1 52 PHE HA 1 57 LEU MD1 . . 4.210 3.998 3.453 4.232 0.022 14 0 "[ . 1 . 2]" 2
1341 1 54 SER HB2 1 57 LEU MD1 . . 4.390 2.815 2.394 4.148 . 0 0 "[ . 1 . 2]" 2
1342 1 57 LEU HA 1 57 LEU MD1 . . 3.990 3.822 3.813 3.842 . 0 0 "[ . 1 . 2]" 2
1343 1 54 SER HB3 1 57 LEU MD1 . . 4.390 4.060 3.149 4.388 . 0 0 "[ . 1 . 2]" 2
1344 1 53 PHE HB2 1 57 LEU MD1 . . 4.310 4.092 3.524 4.339 0.029 14 0 "[ . 1 . 2]" 2
1345 1 52 PHE HB3 1 57 LEU MD1 . . 3.500 2.495 1.957 2.933 . 0 0 "[ . 1 . 2]" 2
1346 1 52 PHE HB2 1 57 LEU MD1 . . 4.460 3.890 3.458 4.155 . 0 0 "[ . 1 . 2]" 2
1347 1 57 LEU HB3 1 57 LEU MD1 . . 3.140 2.413 2.346 2.562 . 0 0 "[ . 1 . 2]" 2
1348 1 46 PRO HG2 1 47 TYR QE . . 4.430 3.466 2.951 3.676 . 0 0 "[ . 1 . 2]" 2
1349 1 45 CYS HA 1 46 PRO HG2 . . 4.550 4.170 4.143 4.196 . 0 0 "[ . 1 . 2]" 2
1350 1 38 LEU HA 1 38 LEU MD2 . . 3.280 3.330 3.297 3.358 0.078 9 0 "[ . 1 . 2]" 2
1351 1 25 LYS HG3 1 26 LEU H . . 5.210 4.970 4.624 5.203 . 0 0 "[ . 1 . 2]" 2
1352 1 24 ALA HA 1 25 LYS HG3 . . 4.450 4.111 3.903 4.253 . 0 0 "[ . 1 . 2]" 2
1353 1 25 LYS HA 1 25 LYS HG2 . . 3.800 2.543 2.346 2.803 . 0 0 "[ . 1 . 2]" 2
1354 1 18 GLN HG2 1 25 LYS HG2 . . 4.510 3.498 3.097 3.927 . 0 0 "[ . 1 . 2]" 2
1355 1 47 TYR QE 1 73 LEU MD1 . . 4.780 4.443 3.854 4.783 0.003 8 0 "[ . 1 . 2]" 2
1356 1 21 LEU H 1 21 LEU MD1 . . 3.940 3.933 3.892 4.003 0.063 12 0 "[ . 1 . 2]" 2
1357 1 21 LEU MD1 1 22 CYS H . . 4.270 4.231 4.071 4.283 0.013 9 0 "[ . 1 . 2]" 2
1358 1 21 LEU MD1 1 40 ARG H . . 4.090 3.790 3.039 4.080 . 0 0 "[ . 1 . 2]" 2
1359 1 21 LEU MD1 1 39 CYS H . . 4.540 3.919 3.682 4.119 . 0 0 "[ . 1 . 2]" 2
1360 1 21 LEU MD1 1 41 ASN H . . 5.500 5.241 4.470 5.444 . 0 0 "[ . 1 . 2]" 2
1361 1 21 LEU MD1 1 37 ARG H . . 5.330 4.995 4.736 5.317 . 0 0 "[ . 1 . 2]" 2
1362 1 21 LEU HA 1 21 LEU MD1 . . 3.890 3.939 3.901 3.959 0.069 16 0 "[ . 1 . 2]" 2
1363 1 21 LEU MD1 1 40 ARG HA . . 3.330 3.076 2.443 3.310 . 0 0 "[ . 1 . 2]" 2
1364 1 21 LEU MD1 1 36 GLU HA . . 3.820 2.279 2.054 2.501 . 0 0 "[ . 1 . 2]" 2
1365 1 21 LEU MD1 1 39 CYS HA . . 4.680 4.014 3.757 4.280 . 0 0 "[ . 1 . 2]" 2
1366 1 21 LEU MD1 1 36 GLU HG3 . . 4.370 3.936 2.739 4.245 . 0 0 "[ . 1 . 2]" 2
1367 1 21 LEU MD1 1 36 GLU HG2 . . 4.370 2.656 2.389 4.158 . 0 0 "[ . 1 . 2]" 2
1368 1 21 LEU MD1 1 39 CYS HB2 . . 3.740 3.395 3.248 3.595 . 0 0 "[ . 1 . 2]" 2
1369 1 21 LEU MD1 1 39 CYS HB3 . . 3.740 2.046 1.919 2.286 . 0 0 "[ . 1 . 2]" 2
1370 1 21 LEU HB2 1 21 LEU MD1 . . 3.190 2.326 2.296 2.345 . 0 0 "[ . 1 . 2]" 2
1371 1 21 LEU MD1 1 36 GLU HB2 . . 4.830 4.336 3.992 4.642 . 0 0 "[ . 1 . 2]" 2
1372 1 18 GLN HG2 1 25 LYS HG3 . . 3.910 3.116 2.739 3.467 . 0 0 "[ . 1 . 2]" 2
1373 1 25 LYS HA 1 25 LYS HG3 . . 4.070 2.937 2.599 3.221 . 0 0 "[ . 1 . 2]" 2
1374 1 25 LYS HB2 1 25 LYS HG3 . . 2.880 2.470 2.331 2.634 . 0 0 "[ . 1 . 2]" 2
1375 1 73 LEU HA 1 73 LEU MD1 . . 4.140 3.896 3.815 3.929 . 0 0 "[ . 1 . 2]" 2
1376 1 73 LEU H 1 73 LEU MD1 . . 3.930 3.557 3.487 3.692 . 0 0 "[ . 1 . 2]" 2
1377 1 68 LYS QE 1 73 LEU MD1 . . 3.770 3.241 1.960 3.749 . 0 0 "[ . 1 . 2]" 2
1378 1 73 LEU HB2 1 73 LEU MD1 . . 3.080 2.311 2.216 2.431 . 0 0 "[ . 1 . 2]" 2
1379 1 73 LEU HB3 1 73 LEU MD1 . . 3.080 2.356 2.186 2.452 . 0 0 "[ . 1 . 2]" 2
1380 1 38 LEU MD1 1 53 PHE QD . . 5.500 5.172 3.350 5.507 0.007 12 0 "[ . 1 . 2]" 2
1381 1 38 LEU H 1 38 LEU MD1 . . 3.950 3.590 3.548 3.657 . 0 0 "[ . 1 . 2]" 2
1382 1 38 LEU HA 1 38 LEU MD1 . . 4.340 4.118 4.104 4.129 . 0 0 "[ . 1 . 2]" 2
1383 1 34 SER QB 1 38 LEU MD1 . . 4.710 4.587 4.379 4.736 0.026 4 0 "[ . 1 . 2]" 2
1384 1 35 HIS HB2 1 38 LEU MD1 . . 4.750 3.889 3.372 4.360 . 0 0 "[ . 1 . 2]" 2
1385 1 38 LEU HB2 1 38 LEU MD1 . . 2.970 2.123 1.971 2.185 . 0 0 "[ . 1 . 2]" 2
1386 1 38 LEU HB3 1 38 LEU MD1 . . 3.110 2.648 2.590 2.728 . 0 0 "[ . 1 . 2]" 2
1387 1 67 TYR QD 1 70 LEU MD1 . . 3.770 3.517 3.174 3.772 0.002 10 0 "[ . 1 . 2]" 2
1388 1 70 LEU MD1 1 81 SER HA . . 4.300 2.985 2.321 3.910 . 0 0 "[ . 1 . 2]" 2
1389 1 70 LEU HA 1 70 LEU MD1 . . 4.450 3.885 3.777 3.946 . 0 0 "[ . 1 . 2]" 2
1390 1 70 LEU MD1 1 80 LYS HA . . 4.790 3.827 3.174 4.278 . 0 0 "[ . 1 . 2]" 2
1391 1 67 TYR HA 1 70 LEU MD1 . . 3.600 2.615 2.208 3.100 . 0 0 "[ . 1 . 2]" 2
1392 1 70 LEU HB2 1 70 LEU MD1 . . 3.300 2.234 2.129 2.448 . 0 0 "[ . 1 . 2]" 2
1393 1 66 GLU HB2 1 70 LEU MD1 . . 4.560 3.827 3.160 4.601 0.041 18 0 "[ . 1 . 2]" 2
1394 1 70 LEU HB3 1 70 LEU MD1 . . 3.300 2.423 2.241 2.520 . 0 0 "[ . 1 . 2]" 2
1395 1 54 SER HA 1 55 PRO HD3 . . 3.460 2.311 2.273 2.337 . 0 0 "[ . 1 . 2]" 2
1396 1 54 SER HA 1 55 PRO HG2 . . 4.580 4.537 4.453 4.585 0.005 11 0 "[ . 1 . 2]" 2
1397 1 47 TYR QE 1 68 LYS HG3 . . 4.710 3.455 2.080 4.740 0.030 17 0 "[ . 1 . 2]" 2
1398 1 17 TYR QE 1 29 LEU MD2 . . 4.190 4.151 3.987 4.200 0.010 1 0 "[ . 1 . 2]" 2
1399 1 29 LEU HB3 1 29 LEU MD2 . . 3.030 2.254 2.109 2.329 . 0 0 "[ . 1 . 2]" 2
1400 1 29 LEU HB2 1 29 LEU MD2 . . 3.190 2.457 2.370 2.534 . 0 0 "[ . 1 . 2]" 2
1401 1 50 LEU MD1 1 52 PHE QE . . 3.880 2.434 1.969 2.743 . 0 0 "[ . 1 . 2]" 2
1402 1 50 LEU MD1 1 61 HIS HE1 . . 3.570 2.729 2.538 2.827 . 0 0 "[ . 1 . 2]" 2
1403 1 50 LEU H 1 50 LEU MD1 . . 3.880 3.678 3.531 3.849 . 0 0 "[ . 1 . 2]" 2
1404 1 50 LEU MD1 1 51 ARG H . . 4.210 4.008 3.863 4.131 . 0 0 "[ . 1 . 2]" 2
1405 1 50 LEU MD1 1 52 PHE HZ . . 3.650 1.996 1.918 2.149 . 0 0 "[ . 1 . 2]" 2
1406 1 50 LEU HA 1 50 LEU MD1 . . 3.970 3.802 3.785 3.810 . 0 0 "[ . 1 . 2]" 2
1407 1 87 ARG HA 1 87 ARG HG2 . . 4.180 2.888 2.760 3.055 . 0 0 "[ . 1 . 2]" 2
1408 1 86 TRP HE3 1 87 ARG HG2 . . 4.720 2.824 2.208 3.202 . 0 0 "[ . 1 . 2]" 2
1409 1 83 PHE QE 1 87 ARG HG3 . . 4.890 4.030 2.686 4.688 . 0 0 "[ . 1 . 2]" 2
1410 1 87 ARG HA 1 87 ARG HG3 . . 4.180 3.783 3.750 3.830 . 0 0 "[ . 1 . 2]" 2
1411 1 47 TYR QE 1 68 LYS HG2 . . 4.710 4.369 3.735 4.710 0.000 6 0 "[ . 1 . 2]" 2
1412 1 30 LEU HA 1 30 LEU MD2 . . 3.960 3.483 2.054 3.861 . 0 0 "[ . 1 . 2]" 2
1413 1 30 LEU MD2 1 34 SER QB . . 5.400 4.141 2.755 4.924 . 0 0 "[ . 1 . 2]" 2
1414 1 30 LEU H 1 30 LEU MD2 . . 4.570 4.164 3.478 4.328 . 0 0 "[ . 1 . 2]" 2
1415 1 64 LYS QG 1 65 CYS H . . 4.550 3.530 3.257 3.846 . 0 0 "[ . 1 . 2]" 2
1416 1 64 LYS HA 1 64 LYS QG . . 3.360 3.327 2.779 3.436 0.076 17 0 "[ . 1 . 2]" 2
1417 1 61 HIS HA 1 64 LYS QG . . 4.070 2.225 1.958 3.176 . 0 0 "[ . 1 . 2]" 2
1418 1 63 SER QB 1 64 LYS QG . . 4.230 3.602 2.590 4.275 0.045 11 0 "[ . 1 . 2]" 2
1419 1 26 LEU MD2 1 36 GLU H . . 5.460 5.388 5.157 5.470 0.010 3 0 "[ . 1 . 2]" 2
1420 1 19 CYS H 1 26 LEU MD2 . . 3.400 2.851 2.754 2.970 . 0 0 "[ . 1 . 2]" 2
1421 1 26 LEU MD2 1 35 HIS HD2 . . 4.020 3.557 3.080 3.914 . 0 0 "[ . 1 . 2]" 2
1422 1 18 GLN HA 1 26 LEU MD2 . . 3.870 2.723 2.574 2.836 . 0 0 "[ . 1 . 2]" 2
1423 1 19 CYS HA 1 26 LEU MD2 . . 4.130 3.091 2.977 3.198 . 0 0 "[ . 1 . 2]" 2
1424 1 25 LYS HA 1 26 LEU MD2 . . 3.870 3.304 3.113 3.619 . 0 0 "[ . 1 . 2]" 2
1425 1 24 ALA HA 1 26 LEU MD2 . . 5.070 4.889 4.664 5.003 . 0 0 "[ . 1 . 2]" 2
1426 1 26 LEU MD2 1 32 GLN HA . . 3.470 2.550 2.401 2.732 . 0 0 "[ . 1 . 2]" 2
1427 1 26 LEU MD2 1 35 HIS HB3 . . 3.930 3.330 3.139 3.443 . 0 0 "[ . 1 . 2]" 2
1428 1 26 LEU MD2 1 35 HIS HB2 . . 4.320 4.109 3.949 4.305 . 0 0 "[ . 1 . 2]" 2
1429 1 19 CYS HB3 1 26 LEU MD2 . . 3.910 3.644 3.543 3.758 . 0 0 "[ . 1 . 2]" 2
1430 1 19 CYS HB2 1 26 LEU MD2 . . 3.540 2.413 2.290 2.501 . 0 0 "[ . 1 . 2]" 2
1431 1 26 LEU MD2 1 32 GLN HG2 . . 4.140 3.693 3.442 3.886 . 0 0 "[ . 1 . 2]" 2
1432 1 26 LEU MD2 1 32 GLN HG3 . . 3.670 2.255 2.049 2.557 . 0 0 "[ . 1 . 2]" 2
1433 1 26 LEU HB3 1 26 LEU MD2 . . 3.360 3.164 3.151 3.179 . 0 0 "[ . 1 . 2]" 2
1434 1 26 LEU HB2 1 26 LEU MD2 . . 3.190 2.217 2.088 2.306 . 0 0 "[ . 1 . 2]" 2
1435 1 24 ALA MB 1 26 LEU MD2 . . 3.490 3.308 2.946 3.486 . 0 0 "[ . 1 . 2]" 2
1436 1 17 TYR HA 1 18 GLN HA . . 5.230 4.427 4.405 4.447 . 0 0 "[ . 1 . 2]" 2
1437 1 18 GLN HA 1 19 CYS HA . . 5.500 4.323 4.321 4.326 . 0 0 "[ . 1 . 2]" 2
1438 1 18 GLN HA 1 23 ASN HA . . 5.500 4.342 4.256 4.428 . 0 0 "[ . 1 . 2]" 2
1439 1 18 GLN HA 1 25 LYS HA . . 3.760 2.415 2.326 2.540 . 0 0 "[ . 1 . 2]" 2
1440 1 17 TYR HB3 1 26 LEU MD2 . . 4.740 3.768 3.480 4.012 . 0 0 "[ . 1 . 2]" 2
1441 1 26 LEU MD2 1 32 GLN HB2 . . 3.980 3.201 3.013 3.379 . 0 0 "[ . 1 . 2]" 2
1442 1 25 LYS H 1 26 LEU MD2 . . 4.700 4.602 4.448 4.704 0.004 19 0 "[ . 1 . 2]" 2
1443 1 24 ALA HA 1 25 LYS HB2 . . 4.620 4.488 4.426 4.574 . 0 0 "[ . 1 . 2]" 2
1444 1 52 PHE QD 1 58 LYS QG . . 4.430 3.499 2.781 4.389 . 0 0 "[ . 1 . 2]" 2
1445 1 29 LEU H 1 29 LEU MD1 . . 4.000 3.580 3.518 3.642 . 0 0 "[ . 1 . 2]" 2
1446 1 17 TYR QD 1 29 LEU MD1 . . 3.720 3.047 2.866 3.162 . 0 0 "[ . 1 . 2]" 2
1447 1 17 TYR QE 1 29 LEU MD1 . . 3.640 2.692 2.602 2.805 . 0 0 "[ . 1 . 2]" 2
1448 1 29 LEU HA 1 29 LEU MD1 . . 3.210 2.147 2.037 2.312 . 0 0 "[ . 1 . 2]" 2
1449 1 29 LEU MD1 1 32 GLN HB3 . . 4.280 3.996 3.801 4.184 . 0 0 "[ . 1 . 2]" 2
1450 1 29 LEU MD1 1 32 GLN HB2 . . 4.250 4.176 4.086 4.256 0.006 6 0 "[ . 1 . 2]" 2
1451 1 30 LEU H 1 30 LEU MD1 . . 4.570 3.796 3.512 4.273 . 0 0 "[ . 1 . 2]" 2
1452 1 30 LEU HA 1 30 LEU MD1 . . 3.960 2.530 2.187 3.660 . 0 0 "[ . 1 . 2]" 2
1453 1 21 LEU MD2 1 36 GLU HA . . 5.500 4.562 4.333 4.875 . 0 0 "[ . 1 . 2]" 2
1454 1 21 LEU MD2 1 22 CYS H . . 4.680 4.597 4.533 4.638 . 0 0 "[ . 1 . 2]" 2
1455 1 20 ARG HB3 1 21 LEU MD2 . . 4.020 3.764 3.629 4.011 . 0 0 "[ . 1 . 2]" 2
1456 1 21 LEU H 1 21 LEU MD2 . . 3.810 3.608 3.489 3.683 . 0 0 "[ . 1 . 2]" 2
1457 1 21 LEU HA 1 21 LEU MD2 . . 2.950 2.363 2.097 2.439 . 0 0 "[ . 1 . 2]" 2
1458 1 21 LEU HB2 1 21 LEU MD2 . . 3.480 3.184 3.180 3.191 . 0 0 "[ . 1 . 2]" 2
1459 1 42 ALA HA 1 43 ALA HA . . 4.690 4.557 4.550 4.570 . 0 0 "[ . 1 . 2]" 2
1460 1 50 LEU MD2 1 61 HIS HE1 . . 4.950 4.847 4.663 4.960 0.010 4 0 "[ . 1 . 2]" 2
1461 1 50 LEU H 1 50 LEU MD2 . . 4.290 4.195 4.122 4.268 . 0 0 "[ . 1 . 2]" 2
1462 1 50 LEU MD2 1 51 ARG H . . 3.470 2.212 2.131 2.289 . 0 0 "[ . 1 . 2]" 2
1463 1 50 LEU MD2 1 52 PHE QE . . 4.050 3.583 3.277 3.746 . 0 0 "[ . 1 . 2]" 2
1464 1 50 LEU MD2 1 52 PHE HZ . . 3.910 3.589 3.224 3.818 . 0 0 "[ . 1 . 2]" 2
1465 1 50 LEU HA 1 50 LEU MD2 . . 2.980 2.387 2.280 2.528 . 0 0 "[ . 1 . 2]" 2
1466 1 50 LEU MD2 1 61 HIS QB . . 5.500 5.405 5.309 5.516 0.016 5 0 "[ . 1 . 2]" 2
1467 1 26 LEU MD1 1 27 SER H . . 3.570 2.570 2.504 2.650 . 0 0 "[ . 1 . 2]" 2
1468 1 26 LEU MD1 1 35 HIS HD2 . . 4.760 4.108 3.766 4.472 . 0 0 "[ . 1 . 2]" 2
1469 1 26 LEU MD1 1 35 HIS HA . . 4.690 4.463 4.284 4.657 . 0 0 "[ . 1 . 2]" 2
1470 1 26 LEU MD1 1 32 GLN HA . . 3.320 3.144 3.019 3.326 0.006 19 0 "[ . 1 . 2]" 2
1471 1 26 LEU MD1 1 35 HIS HB3 . . 3.750 2.555 2.277 2.799 . 0 0 "[ . 1 . 2]" 2
1472 1 26 LEU MD1 1 35 HIS HB2 . . 3.670 2.346 2.118 2.559 . 0 0 "[ . 1 . 2]" 2
1473 1 19 CYS HB2 1 26 LEU MD1 . . 4.180 3.989 3.847 4.169 . 0 0 "[ . 1 . 2]" 2
1474 1 26 LEU MD1 1 31 GLU HG3 . . 4.280 2.902 1.949 3.522 . 0 0 "[ . 1 . 2]" 2
1475 1 26 LEU MD1 1 31 GLU HB3 . . 3.660 2.277 2.145 2.442 . 0 0 "[ . 1 . 2]" 2
1476 1 26 LEU MD1 1 32 GLN HB2 . . 4.670 4.385 4.251 4.514 . 0 0 "[ . 1 . 2]" 2
1477 1 26 LEU HB3 1 26 LEU MD1 . . 3.310 2.437 2.391 2.476 . 0 0 "[ . 1 . 2]" 2
1478 1 18 GLN HA 1 26 LEU MD1 . . 5.110 5.057 4.976 5.123 0.013 17 0 "[ . 1 . 2]" 2
1479 1 19 CYS HA 1 26 LEU MD1 . . 5.500 5.300 5.118 5.495 . 0 0 "[ . 1 . 2]" 2
1480 1 57 LEU MD2 1 60 GLU HG3 . . 4.730 4.112 3.608 4.625 . 0 0 "[ . 1 . 2]" 2
1481 1 52 PHE QD 1 57 LEU MD2 . . 4.330 3.485 2.787 3.790 . 0 0 "[ . 1 . 2]" 2
1482 1 57 LEU HA 1 57 LEU MD2 . . 2.770 2.047 1.959 2.322 . 0 0 "[ . 1 . 2]" 2
1483 1 52 PHE HB3 1 57 LEU MD2 . . 4.360 4.207 3.814 4.395 0.035 16 0 "[ . 1 . 2]" 2
1484 1 52 PHE HB2 1 57 LEU MD2 . . 5.500 5.311 4.922 5.482 . 0 0 "[ . 1 . 2]" 2
1485 1 57 LEU MD2 1 60 GLU HG2 . . 4.730 4.103 3.026 4.746 0.016 12 0 "[ . 1 . 2]" 2
1486 1 57 LEU HB3 1 57 LEU MD2 . . 3.270 2.327 2.191 2.367 . 0 0 "[ . 1 . 2]" 2
1487 1 73 LEU H 1 73 LEU MD2 . . 3.700 2.850 2.519 3.108 . 0 0 "[ . 1 . 2]" 2
1488 1 73 LEU MD2 1 76 MET H . . 5.170 4.902 4.690 5.078 . 0 0 "[ . 1 . 2]" 2
1489 1 47 TYR QD 1 73 LEU MD2 . . 4.510 3.836 3.114 4.236 . 0 0 "[ . 1 . 2]" 2
1490 1 47 TYR QE 1 73 LEU MD2 . . 3.660 2.425 1.973 2.679 . 0 0 "[ . 1 . 2]" 2
1491 1 72 CYS HA 1 73 LEU MD2 . . 4.670 4.628 4.464 4.684 0.014 15 0 "[ . 1 . 2]" 2
1492 1 73 LEU HA 1 73 LEU MD2 . . 2.870 2.173 1.974 2.314 . 0 0 "[ . 1 . 2]" 2
1493 1 68 LYS QE 1 73 LEU MD2 . . 3.940 3.398 2.094 3.931 . 0 0 "[ . 1 . 2]" 2
1494 1 73 LEU MD2 1 74 GLU H . . 4.720 4.619 4.508 4.708 . 0 0 "[ . 1 . 2]" 2
1495 1 71 THR HB 1 73 LEU MD2 . . 4.030 2.914 2.695 3.265 . 0 0 "[ . 1 . 2]" 2
1496 1 37 ARG HB2 1 38 LEU MD2 . . 4.740 2.962 2.402 4.256 . 0 0 "[ . 1 . 2]" 2
1497 1 37 ARG HB3 1 38 LEU MD2 . . 4.740 3.366 3.072 3.795 . 0 0 "[ . 1 . 2]" 2
1498 1 38 LEU MD2 1 39 CYS H . . 4.570 3.700 3.575 3.812 . 0 0 "[ . 1 . 2]" 2
1499 1 38 LEU HB3 1 38 LEU MD2 . . 3.120 2.153 2.034 2.223 . 0 0 "[ . 1 . 2]" 2
1500 1 92 VAL MG2 1 93 HIS HD2 . . 4.650 3.997 3.831 4.396 . 0 0 "[ . 1 . 2]" 2
1501 1 88 HIS HA 1 92 VAL MG2 . . 3.840 2.717 2.528 2.962 . 0 0 "[ . 1 . 2]" 2
1502 1 89 GLN H 1 92 VAL MG2 . . 5.020 4.885 4.733 5.032 0.012 8 0 "[ . 1 . 2]" 2
1503 1 92 VAL H 1 92 VAL MG2 . . 2.900 2.240 2.097 2.379 . 0 0 "[ . 1 . 2]" 2
1504 1 88 HIS HD2 1 92 VAL MG2 . . 5.050 4.881 4.738 5.030 . 0 0 "[ . 1 . 2]" 2
1505 1 92 VAL HA 1 92 VAL MG2 . . 2.940 2.495 2.452 2.543 . 0 0 "[ . 1 . 2]" 2
1506 1 88 HIS HB3 1 92 VAL MG2 . . 4.960 4.692 4.480 4.945 . 0 0 "[ . 1 . 2]" 2
1507 1 88 HIS HB2 1 92 VAL MG2 . . 4.670 3.968 3.722 4.294 . 0 0 "[ . 1 . 2]" 2
1508 1 91 GLU HG2 1 92 VAL MG2 . . 5.500 5.319 5.255 5.392 . 0 0 "[ . 1 . 2]" 2
1509 1 92 VAL MG2 1 93 HIS H . . 4.000 3.539 3.478 3.584 . 0 0 "[ . 1 . 2]" 2
1510 1 91 GLU HG3 1 92 VAL MG2 . . 4.900 4.804 4.709 4.870 . 0 0 "[ . 1 . 2]" 2
1511 1 78 THR MG 1 79 PHE H . . 3.380 2.105 1.896 2.457 . 0 0 "[ . 1 . 2]" 2
1512 1 78 THR H 1 78 THR MG . . 4.100 3.788 3.737 3.815 . 0 0 "[ . 1 . 2]" 2
1513 1 71 THR H 1 78 THR MG . . 4.730 3.991 3.506 4.389 . 0 0 "[ . 1 . 2]" 2
1514 1 67 TYR QD 1 78 THR MG . . 3.760 2.398 1.906 3.084 . 0 0 "[ . 1 . 2]" 2
1515 1 67 TYR QE 1 78 THR MG . . 4.650 3.515 2.601 4.630 . 0 0 "[ . 1 . 2]" 2
1516 1 71 THR HA 1 78 THR MG . . 3.840 2.817 2.475 3.038 . 0 0 "[ . 1 . 2]" 2
1517 1 78 THR HA 1 78 THR MG . . 3.330 2.173 2.035 2.312 . 0 0 "[ . 1 . 2]" 2
1518 1 70 LEU HA 1 78 THR MG . . 4.990 4.545 4.223 4.865 . 0 0 "[ . 1 . 2]" 2
1519 1 67 TYR HA 1 78 THR MG . . 4.510 3.888 3.532 4.291 . 0 0 "[ . 1 . 2]" 2
1520 1 71 THR HB 1 78 THR MG . . 4.570 4.310 3.941 4.575 0.005 1 0 "[ . 1 . 2]" 2
1521 1 67 TYR HB2 1 78 THR MG . . 4.570 4.446 3.699 4.584 0.014 18 0 "[ . 1 . 2]" 2
1522 1 67 TYR HB3 1 78 THR MG . . 4.570 2.985 2.209 3.131 . 0 0 "[ . 1 . 2]" 2
1523 1 70 LEU H 1 70 LEU MD2 . . 4.180 3.580 3.084 3.969 . 0 0 "[ . 1 . 2]" 2
1524 1 70 LEU HB3 1 70 LEU MD2 . . 3.500 2.322 2.253 2.375 . 0 0 "[ . 1 . 2]" 2
1525 1 70 LEU MD2 1 85 ILE H . . 4.600 4.415 4.202 4.595 . 0 0 "[ . 1 . 2]" 2
1526 1 70 LEU MD2 1 81 SER HA . . 4.070 2.501 1.970 3.403 . 0 0 "[ . 1 . 2]" 2
1527 1 70 LEU HA 1 70 LEU MD2 . . 3.060 2.030 1.962 2.190 . 0 0 "[ . 1 . 2]" 2
1528 1 70 LEU MD2 1 82 SER HA . . 3.320 2.250 1.885 2.595 . 0 0 "[ . 1 . 2]" 2
1529 1 70 LEU HB2 1 70 LEU MD2 . . 3.500 3.178 3.169 3.185 . 0 0 "[ . 1 . 2]" 2
1530 1 46 PRO HD2 1 58 LYS QG . . 5.320 4.620 3.883 5.470 0.150 19 0 "[ . 1 . 2]" 2
1531 1 46 PRO HD3 1 58 LYS QG . . 5.500 4.688 4.036 5.265 . 0 0 "[ . 1 . 2]" 2
1532 1 45 CYS HA 1 46 PRO HD3 . . 3.710 2.332 2.301 2.374 . 0 0 "[ . 1 . 2]" 2
1533 1 45 CYS HA 1 46 PRO HD2 . . 3.680 1.971 1.940 2.002 . 0 0 "[ . 1 . 2]" 2
1534 1 54 SER HA 1 55 PRO HD2 . . 3.460 2.431 2.328 2.490 . 0 0 "[ . 1 . 2]" 2
1535 1 88 HIS HE1 1 92 VAL HB . . 4.660 4.349 4.061 4.570 . 0 0 "[ . 1 . 2]" 2
1536 1 88 HIS HE1 1 92 VAL MG2 . . 3.680 3.367 3.233 3.536 . 0 0 "[ . 1 . 2]" 2
1537 1 88 HIS HE1 1 92 VAL MG1 . . 3.970 3.656 3.372 3.901 . 0 0 "[ . 1 . 2]" 2
1538 1 74 GLU QG 1 93 HIS HE1 . . 4.590 3.437 2.307 4.352 . 0 0 "[ . 1 . 2]" 2
1539 1 93 HIS HB2 1 93 HIS HE1 . . 5.260 5.298 5.280 5.333 0.073 19 0 "[ . 1 . 2]" 2
1540 1 44 VAL MG2 1 52 PHE H . . 4.340 4.249 3.940 4.350 0.010 14 0 "[ . 1 . 2]" 2
1541 1 44 VAL H 1 44 VAL MG2 . . 3.350 2.738 2.611 2.928 . 0 0 "[ . 1 . 2]" 2
1542 1 44 VAL MG2 1 51 ARG HA . . 3.620 3.059 2.685 3.221 . 0 0 "[ . 1 . 2]" 2
1543 1 43 ALA HA 1 44 VAL MG2 . . 4.080 3.914 3.751 4.043 . 0 0 "[ . 1 . 2]" 2
1544 1 42 ALA HA 1 44 VAL MG2 . . 5.450 5.023 4.857 5.238 . 0 0 "[ . 1 . 2]" 2
1545 1 44 VAL MG2 1 51 ARG QD . . 3.950 3.678 3.138 3.981 0.031 13 0 "[ . 1 . 2]" 2
1546 1 41 ASN HB3 1 44 VAL MG2 . . 4.680 3.804 2.672 4.328 . 0 0 "[ . 1 . 2]" 2
1547 1 90 VAL MG2 1 99 ALA MB . . 4.950 4.498 3.910 4.957 0.007 2 0 "[ . 1 . 2]" 2
1548 1 89 GLN H 1 90 VAL MG2 . . 4.340 3.841 3.618 4.011 . 0 0 "[ . 1 . 2]" 2
1549 1 90 VAL H 1 90 VAL MG2 . . 3.060 2.594 2.456 2.738 . 0 0 "[ . 1 . 2]" 2
1550 1 86 TRP HZ2 1 90 VAL MG2 . . 3.790 3.327 3.094 3.666 . 0 0 "[ . 1 . 2]" 2
1551 1 86 TRP HD1 1 90 VAL MG2 . . 3.800 3.234 2.784 3.672 . 0 0 "[ . 1 . 2]" 2
1552 1 86 TRP HA 1 90 VAL MG2 . . 4.490 3.514 3.182 3.789 . 0 0 "[ . 1 . 2]" 2
1553 1 90 VAL HA 1 90 VAL MG2 . . 3.080 2.325 2.199 2.426 . 0 0 "[ . 1 . 2]" 2
1554 1 87 ARG HA 1 90 VAL MG2 . . 3.680 3.433 3.221 3.593 . 0 0 "[ . 1 . 2]" 2
1555 1 90 VAL MG2 1 96 ASN HB2 . . 4.340 3.550 1.919 4.346 0.006 18 0 "[ . 1 . 2]" 2
1556 1 90 VAL MG2 1 96 ASN HB3 . . 4.340 3.442 2.030 4.349 0.009 1 0 "[ . 1 . 2]" 2
1557 1 89 GLN HB2 1 90 VAL MG2 . . 4.010 3.164 2.993 3.333 . 0 0 "[ . 1 . 2]" 2
1558 1 90 VAL MG2 1 91 GLU HG3 . . 5.320 5.071 4.898 5.163 . 0 0 "[ . 1 . 2]" 2
1559 1 89 GLN HB3 1 90 VAL MG2 . . 4.330 4.032 3.814 4.235 . 0 0 "[ . 1 . 2]" 2
1560 1 52 PHE HZ 1 61 HIS HE1 . . 4.710 4.592 4.258 4.721 0.011 17 0 "[ . 1 . 2]" 2
1561 1 61 HIS HE1 1 65 CYS HA . . 3.860 2.995 2.864 3.433 . 0 0 "[ . 1 . 2]" 2
1562 1 61 HIS HE1 1 65 CYS HB3 . . 5.450 5.231 4.995 5.442 . 0 0 "[ . 1 . 2]" 2
1563 1 92 VAL MG1 1 93 HIS HE1 . . 4.540 4.444 4.176 4.555 0.015 19 0 "[ . 1 . 2]" 2
1564 1 16 VAL MG2 1 25 LYS HA . . 4.310 2.644 2.376 2.810 . 0 0 "[ . 1 . 2]" 2
1565 1 16 VAL MG2 1 25 LYS QE . . 3.860 3.052 1.789 3.871 0.011 16 0 "[ . 1 . 2]" 2
1566 1 16 VAL MG2 1 18 GLN HG2 . . 4.630 4.418 4.207 4.579 . 0 0 "[ . 1 . 2]" 2
1567 1 16 VAL MG2 1 18 GLN HG3 . . 3.970 2.915 2.699 3.116 . 0 0 "[ . 1 . 2]" 2
1568 1 16 VAL MG2 1 18 GLN H . . 4.530 4.080 3.886 4.233 . 0 0 "[ . 1 . 2]" 2
1569 1 16 VAL H 1 16 VAL MG2 . . 4.170 3.918 3.884 3.965 . 0 0 "[ . 1 . 2]" 2
1570 1 16 VAL MG2 1 18 GLN HA . . 4.830 3.900 3.769 3.996 . 0 0 "[ . 1 . 2]" 2
1571 1 61 HIS HE1 1 66 GLU H . . 5.040 3.802 3.387 4.683 . 0 0 "[ . 1 . 2]" 2
1572 1 61 HIS HE1 1 65 CYS HB2 . . 4.800 3.912 3.573 4.207 . 0 0 "[ . 1 . 2]" 2
1573 1 90 VAL MG1 1 91 GLU H . . 3.620 3.636 3.572 3.701 0.081 8 0 "[ . 1 . 2]" 2
1574 1 90 VAL MG1 1 91 GLU HA . . 3.830 3.520 3.402 3.690 . 0 0 "[ . 1 . 2]" 2
1575 1 90 VAL HA 1 90 VAL MG1 . . 3.140 2.428 2.370 2.493 . 0 0 "[ . 1 . 2]" 2
1576 1 87 ARG HA 1 90 VAL MG1 . . 4.050 3.869 3.781 3.989 . 0 0 "[ . 1 . 2]" 2
1577 1 87 ARG HD2 1 90 VAL MG1 . . 4.610 4.072 3.844 4.344 . 0 0 "[ . 1 . 2]" 2
1578 1 90 VAL MG1 1 91 GLU HG2 . . 3.840 3.498 3.367 3.794 . 0 0 "[ . 1 . 2]" 2
1579 1 90 VAL MG1 1 91 GLU HG3 . . 4.150 4.004 3.849 4.141 . 0 0 "[ . 1 . 2]" 2
1580 1 90 VAL MG1 1 91 GLU HB2 . . 5.200 5.042 4.964 5.167 . 0 0 "[ . 1 . 2]" 2
1581 1 92 VAL MG1 1 93 HIS HD2 . . 4.660 3.549 3.304 4.060 . 0 0 "[ . 1 . 2]" 2
1582 1 99 ALA HA 1 100 PRO QG . . 4.410 3.964 3.855 4.110 . 0 0 "[ . 1 . 2]" 2
1583 1 35 HIS HE1 1 39 CYS HB3 . . 5.410 5.222 4.956 5.395 . 0 0 "[ . 1 . 2]" 2
1584 1 24 ALA MB 1 35 HIS HE1 . . 3.820 3.696 3.486 3.842 0.022 20 0 "[ . 1 . 2]" 2
1585 1 44 VAL MG1 1 45 CYS H . . 3.450 2.980 2.620 3.155 . 0 0 "[ . 1 . 2]" 2
1586 1 44 VAL H 1 44 VAL MG1 . . 4.060 3.840 3.812 3.875 . 0 0 "[ . 1 . 2]" 2
1587 1 44 VAL HA 1 44 VAL MG1 . . 3.270 2.435 2.333 2.476 . 0 0 "[ . 1 . 2]" 2
1588 1 44 VAL MG1 1 45 CYS HA . . 4.780 4.176 3.906 4.291 . 0 0 "[ . 1 . 2]" 2
1589 1 44 VAL MG1 1 51 ARG HA . . 5.110 4.209 4.012 4.340 . 0 0 "[ . 1 . 2]" 2
1590 1 44 VAL MG1 1 46 PRO HA . . 4.030 3.842 3.724 3.964 . 0 0 "[ . 1 . 2]" 2
1591 1 44 VAL MG1 1 49 SER HA . . 3.050 2.437 2.227 2.573 . 0 0 "[ . 1 . 2]" 2
1592 1 44 VAL MG1 1 45 CYS HB3 . . 4.440 4.303 4.142 4.403 . 0 0 "[ . 1 . 2]" 2
1593 1 44 VAL MG1 1 51 ARG QD . . 4.670 4.381 4.190 4.650 . 0 0 "[ . 1 . 2]" 2
1594 1 44 VAL MG1 1 45 CYS HB2 . . 5.030 4.871 4.693 5.012 . 0 0 "[ . 1 . 2]" 2
1595 1 44 VAL MG1 1 51 ARG HG2 . . 3.620 3.456 3.103 3.662 0.042 16 0 "[ . 1 . 2]" 2
1596 1 44 VAL MG1 1 51 ARG HG3 . . 3.820 3.634 3.447 3.821 0.001 20 0 "[ . 1 . 2]" 2
1597 1 99 ALA HA 1 100 PRO HD2 . . 2.980 2.334 2.144 2.565 . 0 0 "[ . 1 . 2]" 2
1598 1 99 ALA HA 1 100 PRO HD3 . . 2.980 2.289 2.253 2.378 . 0 0 "[ . 1 . 2]" 2
1599 1 71 THR MG 1 72 CYS H . . 3.240 2.809 2.302 3.155 . 0 0 "[ . 1 . 2]" 2
1600 1 71 THR H 1 71 THR MG . . 3.930 3.822 3.739 3.897 . 0 0 "[ . 1 . 2]" 2
1601 1 71 THR MG 1 77 ARG H . . 4.060 3.441 3.227 3.863 . 0 0 "[ . 1 . 2]" 2
1602 1 47 TYR QD 1 71 THR MG . . 3.480 2.200 1.975 2.720 . 0 0 "[ . 1 . 2]" 2
1603 1 47 TYR QE 1 71 THR MG . . 3.660 2.770 2.203 3.608 . 0 0 "[ . 1 . 2]" 2
1604 1 71 THR HA 1 71 THR MG . . 3.360 2.355 2.203 2.484 . 0 0 "[ . 1 . 2]" 2
1605 1 71 THR MG 1 78 THR HA . . 4.030 3.379 3.160 3.661 . 0 0 "[ . 1 . 2]" 2
1606 1 47 TYR HA 1 71 THR MG . . 4.160 3.006 2.179 3.405 . 0 0 "[ . 1 . 2]" 2
1607 1 71 THR MG 1 73 LEU HA . . 3.780 3.233 2.979 3.460 . 0 0 "[ . 1 . 2]" 2
1608 1 71 THR MG 1 76 MET HA . . 3.630 2.826 2.460 3.111 . 0 0 "[ . 1 . 2]" 2
1609 1 71 THR MG 1 72 CYS HB3 . . 4.760 4.284 4.119 4.590 . 0 0 "[ . 1 . 2]" 2
1610 1 71 THR MG 1 72 CYS HB2 . . 5.110 4.810 4.476 5.120 0.010 13 0 "[ . 1 . 2]" 2
1611 1 71 THR MG 1 73 LEU HG . . 4.450 4.070 3.746 4.315 . 0 0 "[ . 1 . 2]" 2
1612 1 71 THR MG 1 78 THR MG . . 3.660 3.442 3.155 3.646 . 0 0 "[ . 1 . 2]" 2
1613 1 71 THR MG 1 73 LEU MD2 . . 3.270 2.468 2.003 2.844 . 0 0 "[ . 1 . 2]" 2
1614 1 47 TYR H 1 71 THR MG . . 5.500 5.220 4.510 5.528 0.028 19 0 "[ . 1 . 2]" 2
1615 1 71 THR MG 1 79 PHE H . . 5.500 5.156 4.965 5.355 . 0 0 "[ . 1 . 2]" 2
1616 1 71 THR MG 1 78 THR H . . 4.070 3.812 3.560 4.066 . 0 0 "[ . 1 . 2]" 2
1617 1 16 VAL MG1 1 17 TYR H . . 3.780 3.616 3.447 3.747 . 0 0 "[ . 1 . 2]" 2
1618 1 15 GLU HA 1 16 VAL MG1 . . 4.020 3.819 3.666 4.014 . 0 0 "[ . 1 . 2]" 2
1619 1 16 VAL HA 1 16 VAL MG1 . . 3.370 3.198 3.181 3.204 . 0 0 "[ . 1 . 2]" 2
1620 1 16 VAL MG1 1 25 LYS QE . . 4.090 2.805 1.981 4.090 . 19 0 "[ . 1 . 2]" 2
1621 1 16 VAL MG1 1 18 GLN HG2 . . 4.630 4.124 3.913 4.367 . 0 0 "[ . 1 . 2]" 2
1622 1 16 VAL MG1 1 18 GLN HG3 . . 4.460 2.797 2.477 3.079 . 0 0 "[ . 1 . 2]" 2
1623 1 16 VAL MG1 1 25 LYS QD . . 3.650 3.075 2.201 3.652 0.002 3 0 "[ . 1 . 2]" 2
1624 1 16 VAL MG1 1 25 LYS HG3 . . 4.610 3.666 3.296 4.159 . 0 0 "[ . 1 . 2]" 2
1625 1 16 VAL MG1 1 25 LYS HG2 . . 4.540 2.348 2.009 2.850 . 0 0 "[ . 1 . 2]" 2
1626 1 42 ALA MB 1 51 ARG HA . . 5.500 5.471 5.063 5.577 0.077 16 0 "[ . 1 . 2]" 2
1627 1 43 ALA MB 1 55 PRO HA . . 3.400 1.849 1.794 1.947 . 0 0 "[ . 1 . 2]" 2
1628 1 43 ALA MB 1 55 PRO HD3 . . 4.750 3.889 3.521 4.154 . 0 0 "[ . 1 . 2]" 2
1629 1 43 ALA MB 1 44 VAL H . . 3.560 3.489 3.423 3.571 0.011 12 0 "[ . 1 . 2]" 2
1630 1 43 ALA MB 1 57 LEU H . . 4.740 4.113 3.620 4.381 . 0 0 "[ . 1 . 2]" 2
1631 1 43 ALA MB 1 52 PHE QD . . 4.270 2.531 2.008 3.019 . 0 0 "[ . 1 . 2]" 2
1632 1 43 ALA MB 1 54 SER HA . . 4.490 3.821 3.426 3.996 . 0 0 "[ . 1 . 2]" 2
1633 1 43 ALA MB 1 51 ARG HA . . 4.450 3.975 3.764 4.251 . 0 0 "[ . 1 . 2]" 2
1634 1 43 ALA MB 1 55 PRO HD2 . . 4.750 4.567 4.245 4.801 0.051 15 0 "[ . 1 . 2]" 2
1635 1 43 ALA MB 1 52 PHE HB3 . . 4.090 3.415 3.107 3.516 . 0 0 "[ . 1 . 2]" 2
1636 1 43 ALA MB 1 58 LYS QE . . 3.700 3.443 2.664 3.808 0.108 5 0 "[ . 1 . 2]" 2
1637 1 43 ALA MB 1 52 PHE HB2 . . 3.830 1.941 1.781 2.013 . 0 0 "[ . 1 . 2]" 2
1638 1 43 ALA MB 1 55 PRO HB3 . . 4.330 3.465 3.276 3.740 . 0 0 "[ . 1 . 2]" 2
1639 1 43 ALA MB 1 44 VAL MG2 . . 4.400 4.250 4.152 4.398 . 0 0 "[ . 1 . 2]" 2
1640 1 42 ALA MB 1 52 PHE H . . 4.840 4.590 4.148 4.856 0.016 3 0 "[ . 1 . 2]" 2
1641 1 8 ALA MB 1 9 SER H . . 3.760 2.632 2.237 3.320 . 0 0 "[ . 1 . 2]" 2
1642 1 41 ASN H 1 42 ALA MB . . 4.110 3.859 3.700 4.058 . 0 0 "[ . 1 . 2]" 2
1643 1 42 ALA MB 1 53 PHE QD . . 4.240 4.048 3.633 4.249 0.009 12 0 "[ . 1 . 2]" 2
1644 1 42 ALA MB 1 43 ALA HA . . 4.650 4.100 4.045 4.149 . 0 0 "[ . 1 . 2]" 2
1645 1 42 ALA MB 1 53 PHE HA . . 4.800 3.689 3.234 4.136 . 0 0 "[ . 1 . 2]" 2
1646 1 39 CYS HA 1 42 ALA MB . . 3.650 2.671 2.187 2.859 . 0 0 "[ . 1 . 2]" 2
1647 1 42 ALA MB 1 55 PRO HB3 . . 4.440 4.115 3.607 4.403 . 0 0 "[ . 1 . 2]" 2
1648 1 42 ALA MB 1 55 PRO HG3 . . 4.710 4.498 4.019 4.780 0.070 16 0 "[ . 1 . 2]" 2
1649 1 24 ALA H 1 24 ALA MB . . 2.830 2.335 2.170 2.396 . 0 0 "[ . 1 . 2]" 2
1650 1 23 ASN HA 1 24 ALA MB . . 4.700 4.543 4.480 4.593 . 0 0 "[ . 1 . 2]" 2
1651 1 24 ALA MB 1 25 LYS HA . . 4.580 4.552 4.445 4.624 0.044 20 0 "[ . 1 . 2]" 2
1652 1 19 CYS HB3 1 24 ALA MB . . 3.690 3.167 2.849 3.285 . 0 0 "[ . 1 . 2]" 2
1653 1 19 CYS HB2 1 24 ALA MB . . 3.670 3.485 3.236 3.661 . 0 0 "[ . 1 . 2]" 2
1654 1 24 ALA MB 1 25 LYS HB2 . . 4.860 4.736 4.687 4.789 . 0 0 "[ . 1 . 2]" 2
1655 1 24 ALA MB 1 26 LEU MD1 . . 3.640 3.620 3.549 3.656 0.016 19 0 "[ . 1 . 2]" 2
1656 1 76 MET ME 1 76 MET HG3 . . 3.540 3.057 2.212 3.380 . 0 0 "[ . 1 . 2]" 2
1657 1 76 MET ME 1 76 MET HG2 . . 3.540 2.539 2.125 3.388 . 0 0 "[ . 1 . 2]" 2
1658 1 37 ARG HB2 1 38 LEU H . . 4.110 2.978 2.636 3.983 . 0 0 "[ . 1 . 2]" 2
1659 1 16 VAL HA 1 17 TYR HB2 . . 4.810 4.763 4.742 4.782 . 0 0 "[ . 1 . 2]" 2
1660 1 16 VAL MG2 1 25 LYS HG2 . . 3.730 2.073 1.896 2.195 . 0 0 "[ . 1 . 2]" 2
1661 1 16 VAL MG2 1 25 LYS HB3 . . 3.450 2.303 2.075 2.553 . 0 0 "[ . 1 . 2]" 2
1662 1 18 GLN HG2 1 25 LYS HA . . 4.480 3.205 3.049 3.322 . 0 0 "[ . 1 . 2]" 2
1663 1 20 ARG HB3 1 20 ARG HD3 . . 3.810 3.418 2.309 3.699 . 0 0 "[ . 1 . 2]" 2
1664 1 20 ARG HA 1 20 ARG HD3 . . 4.380 3.269 2.355 4.318 . 0 0 "[ . 1 . 2]" 2
1665 1 21 LEU HB3 1 21 LEU MD1 . . 3.210 2.378 2.307 2.418 . 0 0 "[ . 1 . 2]" 2
1666 1 21 LEU HB3 1 21 LEU MD2 . . 3.250 2.238 2.210 2.392 . 0 0 "[ . 1 . 2]" 2
1667 1 20 ARG HA 1 21 LEU MD2 . . 4.640 4.575 4.447 4.646 0.006 9 0 "[ . 1 . 2]" 2
1668 1 20 ARG HB2 1 21 LEU MD2 . . 3.520 3.361 3.016 3.488 . 0 0 "[ . 1 . 2]" 2
1669 1 29 LEU HA 1 29 LEU HG . . 3.770 2.693 2.636 2.752 . 0 0 "[ . 1 . 2]" 2
1670 1 32 GLN HA 1 35 HIS H . . 4.690 3.754 3.531 3.937 . 0 0 "[ . 1 . 2]" 2
1671 1 32 GLN HA 1 32 GLN HG3 . . 3.870 2.496 2.379 2.617 . 0 0 "[ . 1 . 2]" 2
1672 1 36 GLU HA 1 39 CYS HB3 . . 3.890 2.362 2.241 2.476 . 0 0 "[ . 1 . 2]" 2
1673 1 44 VAL MG2 1 51 ARG HG2 . . 3.190 2.356 2.086 2.712 . 0 0 "[ . 1 . 2]" 2
1674 1 44 VAL MG2 1 51 ARG HG3 . . 3.570 3.452 3.251 3.588 0.018 20 0 "[ . 1 . 2]" 2
1675 1 43 ALA H 1 55 PRO HA . . 5.050 4.583 4.150 4.931 . 0 0 "[ . 1 . 2]" 2
1676 1 70 LEU MD1 1 78 THR MG . . 4.070 3.842 3.333 4.071 0.001 20 0 "[ . 1 . 2]" 2
1677 1 84 SER QB 1 85 ILE MG . . 4.430 3.748 3.532 4.315 . 0 0 "[ . 1 . 2]" 2
1678 1 99 ALA MB 1 100 PRO HD3 . . 3.660 3.347 3.041 3.639 . 0 0 "[ . 1 . 2]" 2
1679 1 43 ALA HA 1 58 LYS QG . . 4.750 3.672 2.764 4.179 . 0 0 "[ . 1 . 2]" 2
1680 1 87 ARG HA 1 90 VAL HB . . 3.940 2.450 2.350 2.558 . 0 0 "[ . 1 . 2]" 2
1681 1 57 LEU HA 1 57 LEU HG . . 3.900 2.707 2.624 2.810 . 0 0 "[ . 1 . 2]" 2
1682 1 10 PRO QB 1 11 VAL H . . 3.880 2.743 2.112 3.732 . 0 0 "[ . 1 . 2]" 2
1683 1 11 VAL H 1 11 VAL QG . . 3.460 2.425 1.980 3.027 . 0 0 "[ . 1 . 2]" 2
1684 1 11 VAL QG 1 12 GLU H . . 3.980 2.702 2.025 3.569 . 0 0 "[ . 1 . 2]" 2
1685 1 12 GLU H 1 12 GLU QB . . 3.300 2.558 2.222 3.076 . 0 0 "[ . 1 . 2]" 2
1686 1 12 GLU H 1 12 GLU QG . . 4.140 2.811 2.045 4.036 . 0 0 "[ . 1 . 2]" 2
1687 1 13 ASN QB 1 14 LYS HA . . 5.340 4.513 3.810 5.006 . 0 0 "[ . 1 . 2]" 2
1688 1 14 LYS H 1 14 LYS QB . . 3.360 2.557 2.154 3.239 . 0 0 "[ . 1 . 2]" 2
1689 1 14 LYS QB 1 15 GLU H . . 3.890 2.654 2.078 3.828 . 0 0 "[ . 1 . 2]" 2
1690 1 15 GLU H 1 15 GLU QG . . 3.490 2.743 1.900 3.493 0.003 10 0 "[ . 1 . 2]" 2
1691 1 15 GLU HA 1 15 GLU QG . . 3.470 2.828 2.228 3.359 . 0 0 "[ . 1 . 2]" 2
1692 1 15 GLU QG 1 16 VAL H . . 4.280 4.112 3.381 4.326 0.046 9 0 "[ . 1 . 2]" 2
1693 1 15 GLU QG 1 17 TYR QE . . 5.330 4.593 2.872 5.334 0.004 8 0 "[ . 1 . 2]" 2
1694 1 20 ARG H 1 20 ARG QD . . 4.050 3.665 1.907 4.084 0.034 7 0 "[ . 1 . 2]" 2
1695 1 20 ARG H 1 36 GLU QG . . 4.420 3.506 2.844 3.820 . 0 0 "[ . 1 . 2]" 2
1696 1 20 ARG HA 1 20 ARG QG . . 3.380 2.768 2.296 2.981 . 0 0 "[ . 1 . 2]" 2
1697 1 20 ARG QG 1 32 GLN HE21 . . 4.470 3.354 2.996 4.179 . 0 0 "[ . 1 . 2]" 2
1698 1 20 ARG QG 1 32 GLN HE22 . . 4.640 4.090 3.715 4.632 . 0 0 "[ . 1 . 2]" 2
1699 1 20 ARG QD 1 32 GLN HE22 . . 5.080 4.707 3.172 5.087 0.007 16 0 "[ . 1 . 2]" 2
1700 1 21 LEU MD1 1 36 GLU QG . . 3.600 2.554 2.367 3.043 . 0 0 "[ . 1 . 2]" 2
1701 1 21 LEU MD1 1 39 CYS QB . . 3.240 2.030 1.905 2.262 . 0 0 "[ . 1 . 2]" 2
1702 1 21 LEU MD1 1 40 ARG QB . . 4.070 3.183 1.934 3.798 . 0 0 "[ . 1 . 2]" 2
1703 1 21 LEU MD1 1 40 ARG QD . . 4.210 3.409 2.499 4.217 0.007 9 0 "[ . 1 . 2]" 2
1704 1 21 LEU MD2 1 36 GLU QG . . 4.010 3.862 3.583 4.033 0.023 16 0 "[ . 1 . 2]" 2
1705 1 26 LEU HB3 1 31 GLU QG . . 4.230 3.625 3.345 3.928 . 0 0 "[ . 1 . 2]" 2
1706 1 26 LEU HG 1 31 GLU QG . . 4.070 3.579 3.407 3.703 . 0 0 "[ . 1 . 2]" 2
1707 1 26 LEU MD1 1 31 GLU QG . . 3.470 1.905 1.785 2.081 . 0 0 "[ . 1 . 2]" 2
1708 1 26 LEU MD2 1 31 GLU QG . . 4.560 4.286 4.204 4.390 . 0 0 "[ . 1 . 2]" 2
1709 1 27 SER QB 1 28 SER H . . 3.570 3.183 3.073 3.650 0.080 9 0 "[ . 1 . 2]" 2
1710 1 28 SER H 1 31 GLU QG . . 4.550 4.217 3.871 4.488 . 0 0 "[ . 1 . 2]" 2
1711 1 30 LEU H 1 30 LEU QD . . 4.000 3.481 3.324 3.685 . 0 0 "[ . 1 . 2]" 2
1712 1 30 LEU HA 1 30 LEU QD . . 3.060 2.349 1.975 2.930 . 0 0 "[ . 1 . 2]" 2
1713 1 30 LEU HB2 1 30 LEU QD . . 2.920 2.066 1.983 2.264 . 0 0 "[ . 1 . 2]" 2
1714 1 30 LEU HB3 1 31 GLU QG . . 5.340 5.206 4.991 5.421 0.081 18 0 "[ . 1 . 2]" 2
1715 1 30 LEU QD 1 31 GLU H . . 4.590 3.643 3.055 4.010 . 0 0 "[ . 1 . 2]" 2
1716 1 30 LEU QD 1 33 GLY QA . . 5.220 4.464 3.749 4.812 . 0 0 "[ . 1 . 2]" 2
1717 1 30 LEU QD 1 34 SER H . . 4.890 4.428 3.191 4.901 0.011 20 0 "[ . 1 . 2]" 2
1718 1 30 LEU QD 1 34 SER QB . . 4.480 3.648 2.566 4.272 . 0 0 "[ . 1 . 2]" 2
1719 1 31 GLU H 1 31 GLU QG . . 3.840 3.876 3.775 3.990 0.150 6 0 "[ . 1 . 2]" 2
1720 1 31 GLU HA 1 31 GLU QG . . 3.440 2.333 2.141 2.847 . 0 0 "[ . 1 . 2]" 2
1721 1 31 GLU QG 1 34 SER H . . 5.340 5.105 4.888 5.353 0.013 6 0 "[ . 1 . 2]" 2
1722 1 31 GLU QG 1 35 HIS H . . 4.360 3.944 3.757 4.141 . 0 0 "[ . 1 . 2]" 2
1723 1 32 GLN HG2 1 36 GLU QG . . 4.010 3.244 3.059 3.456 . 0 0 "[ . 1 . 2]" 2
1724 1 32 GLN HG3 1 36 GLU QG . . 4.290 4.085 3.569 4.294 0.004 20 0 "[ . 1 . 2]" 2
1725 1 34 SER HA 1 37 ARG QB . . 3.760 2.969 2.517 3.169 . 0 0 "[ . 1 . 2]" 2
1726 1 34 SER HA 1 37 ARG QG . . 5.080 3.338 2.930 3.802 . 0 0 "[ . 1 . 2]" 2
1727 1 35 HIS HA 1 39 CYS QB . . 4.690 4.069 3.952 4.219 . 0 0 "[ . 1 . 2]" 2
1728 1 35 HIS HD2 1 36 GLU QG . . 4.310 3.282 2.910 4.275 . 0 0 "[ . 1 . 2]" 2
1729 1 35 HIS HD2 1 39 CYS QB . . 3.920 2.966 2.726 3.302 . 0 0 "[ . 1 . 2]" 2
1730 1 35 HIS HE1 1 39 CYS QB . . 4.540 3.610 3.373 3.901 . 0 0 "[ . 1 . 2]" 2
1731 1 36 GLU H 1 36 GLU QG . . 3.310 2.919 2.702 3.453 0.143 20 0 "[ . 1 . 2]" 2
1732 1 36 GLU H 1 37 ARG QB . . 4.550 4.298 4.154 4.420 . 0 0 "[ . 1 . 2]" 2
1733 1 36 GLU HA 1 36 GLU QG . . 3.320 2.190 2.122 2.583 . 0 0 "[ . 1 . 2]" 2
1734 1 36 GLU HA 1 39 CYS QB . . 3.330 2.337 2.220 2.445 . 0 0 "[ . 1 . 2]" 2
1735 1 36 GLU QG 1 37 ARG H . . 4.820 4.446 4.367 4.698 . 0 0 "[ . 1 . 2]" 2
1736 1 37 ARG H 1 37 ARG QB . . 2.790 2.205 2.148 2.252 . 0 0 "[ . 1 . 2]" 2
1737 1 37 ARG H 1 37 ARG QG . . 3.330 2.793 2.686 2.947 . 0 0 "[ . 1 . 2]" 2
1738 1 37 ARG HA 1 37 ARG QG . . 3.310 2.491 2.216 3.281 . 0 0 "[ . 1 . 2]" 2
1739 1 37 ARG QB 1 38 LEU H . . 3.540 2.755 2.538 3.339 . 0 0 "[ . 1 . 2]" 2
1740 1 37 ARG QB 1 38 LEU MD2 . . 4.150 2.730 2.329 3.546 . 0 0 "[ . 1 . 2]" 2
1741 1 37 ARG QG 1 38 LEU H . . 4.780 3.852 1.924 4.426 . 0 0 "[ . 1 . 2]" 2
1742 1 38 LEU H 1 39 CYS QB . . 4.280 4.123 3.888 4.203 . 0 0 "[ . 1 . 2]" 2
1743 1 38 LEU HA 1 41 ASN QB . . 4.540 4.120 2.953 4.555 0.015 10 0 "[ . 1 . 2]" 2
1744 1 38 LEU HA 1 41 ASN QD . . 4.150 3.128 2.009 4.084 . 0 0 "[ . 1 . 2]" 2
1745 1 38 LEU HG 1 39 CYS QB . . 4.560 3.547 3.429 3.741 . 0 0 "[ . 1 . 2]" 2
1746 1 39 CYS H 1 39 CYS QB . . 3.040 2.272 2.243 2.292 . 0 0 "[ . 1 . 2]" 2
1747 1 39 CYS H 1 40 ARG QB . . 4.690 4.220 4.050 4.476 . 0 0 "[ . 1 . 2]" 2
1748 1 39 CYS HA 1 40 ARG QB . . 5.340 5.056 4.903 5.253 . 0 0 "[ . 1 . 2]" 2
1749 1 39 CYS QB 1 40 ARG H . . 3.760 3.454 3.113 3.653 . 0 0 "[ . 1 . 2]" 2
1750 1 39 CYS QB 1 42 ALA MB . . 4.860 4.331 3.992 4.498 . 0 0 "[ . 1 . 2]" 2
1751 1 39 CYS QB 1 53 PHE QD . . 4.880 3.736 2.888 4.135 . 0 0 "[ . 1 . 2]" 2
1752 1 40 ARG H 1 40 ARG QB . . 2.980 2.401 2.214 2.598 . 0 0 "[ . 1 . 2]" 2
1753 1 40 ARG H 1 40 ARG QD . . 5.070 4.478 4.205 4.886 . 0 0 "[ . 1 . 2]" 2
1754 1 40 ARG HA 1 40 ARG QD . . 4.100 3.481 2.356 4.175 0.075 19 0 "[ . 1 . 2]" 2
1755 1 40 ARG QB 1 40 ARG QD . . 3.280 2.178 2.065 2.509 . 0 0 "[ . 1 . 2]" 2
1756 1 40 ARG QB 1 41 ASN H . . 3.810 2.822 2.486 3.662 . 0 0 "[ . 1 . 2]" 2
1757 1 41 ASN H 1 41 ASN QB . . 3.260 2.644 2.208 2.890 . 0 0 "[ . 1 . 2]" 2
1758 1 41 ASN H 1 41 ASN QD . . 4.390 3.211 2.155 4.268 . 0 0 "[ . 1 . 2]" 2
1759 1 41 ASN QB 1 41 ASN QD . . 3.010 2.166 2.064 2.361 . 0 0 "[ . 1 . 2]" 2
1760 1 41 ASN QB 1 44 VAL HB . . 5.140 4.972 4.487 5.198 0.058 3 0 "[ . 1 . 2]" 2
1761 1 43 ALA HA 1 58 LYS QB . . 4.780 3.643 3.394 4.168 . 0 0 "[ . 1 . 2]" 2
1762 1 43 ALA MB 1 55 PRO QD . . 3.950 3.684 3.359 3.918 . 0 0 "[ . 1 . 2]" 2
1763 1 43 ALA MB 1 58 LYS QB . . 3.460 1.866 1.680 2.309 . 0 0 "[ . 1 . 2]" 2
1764 1 44 VAL MG1 1 49 SER QB . . 4.040 3.583 2.907 3.972 . 0 0 "[ . 1 . 2]" 2
1765 1 45 CYS H 1 50 LEU QB . . 4.450 2.867 2.769 3.038 . 0 0 "[ . 1 . 2]" 2
1766 1 45 CYS HB2 1 50 LEU QB . . 4.690 2.637 2.105 2.932 . 0 0 "[ . 1 . 2]" 2
1767 1 47 TYR QB 1 67 TYR H . . 4.820 4.023 3.586 4.459 . 0 0 "[ . 1 . 2]" 2
1768 1 47 TYR QB 1 67 TYR QB . . 4.410 2.202 1.835 2.624 . 0 0 "[ . 1 . 2]" 2
1769 1 47 TYR QB 1 68 LYS H . . 4.560 3.165 2.743 3.628 . 0 0 "[ . 1 . 2]" 2
1770 1 47 TYR QB 1 68 LYS HA . . 3.910 2.735 2.260 3.337 . 0 0 "[ . 1 . 2]" 2
1771 1 47 TYR QB 1 71 THR MG . . 4.700 3.986 3.414 4.310 . 0 0 "[ . 1 . 2]" 2
1772 1 47 TYR QD 1 68 LYS QG . . 4.890 3.943 3.277 4.736 . 0 0 "[ . 1 . 2]" 2
1773 1 47 TYR QE 1 68 LYS QB . . 5.340 3.202 2.554 3.956 . 0 0 "[ . 1 . 2]" 2
1774 1 48 CYS H 1 48 CYS QB . . 3.510 2.877 2.813 2.927 . 0 0 "[ . 1 . 2]" 2
1775 1 48 CYS QB 1 49 SER H . . 4.430 3.804 3.696 3.919 . 0 0 "[ . 1 . 2]" 2
1776 1 48 CYS QB 1 67 TYR H . . 4.960 3.880 3.422 4.279 . 0 0 "[ . 1 . 2]" 2
1777 1 48 CYS QB 1 67 TYR QB . . 3.700 2.336 1.950 2.955 . 0 0 "[ . 1 . 2]" 2
1778 1 48 CYS QB 1 67 TYR QD . . 3.380 2.584 2.023 3.047 . 0 0 "[ . 1 . 2]" 2
1779 1 50 LEU H 1 50 LEU QB . . 2.980 2.128 2.107 2.152 . 0 0 "[ . 1 . 2]" 2
1780 1 50 LEU QB 1 50 LEU MD2 . . 3.260 2.101 2.028 2.178 . 0 0 "[ . 1 . 2]" 2
1781 1 50 LEU QB 1 51 ARG H . . 3.410 1.988 1.945 2.044 . 0 0 "[ . 1 . 2]" 2
1782 1 50 LEU QB 1 52 PHE QD . . 4.750 3.187 2.922 3.339 . 0 0 "[ . 1 . 2]" 2
1783 1 52 PHE H 1 58 LYS QB . . 4.420 3.915 3.515 4.310 . 0 0 "[ . 1 . 2]" 2
1784 1 52 PHE HB2 1 58 LYS QB . . 4.920 2.921 2.414 3.396 . 0 0 "[ . 1 . 2]" 2
1785 1 52 PHE HB3 1 58 LYS QB . . 4.690 4.232 3.811 4.706 0.016 20 0 "[ . 1 . 2]" 2
1786 1 52 PHE QD 1 58 LYS QB . . 4.190 2.365 2.093 2.750 . 0 0 "[ . 1 . 2]" 2
1787 1 53 PHE QB 1 54 SER H . . 3.650 2.643 2.458 2.803 . 0 0 "[ . 1 . 2]" 2
1788 1 53 PHE QB 1 57 LEU MD1 . . 3.440 2.641 2.103 2.848 . 0 0 "[ . 1 . 2]" 2
1789 1 53 PHE QD 1 54 SER QB . . 4.630 3.737 3.350 4.170 . 0 0 "[ . 1 . 2]" 2
1790 1 54 SER H 1 54 SER QB . . 3.450 2.429 2.358 2.864 . 0 0 "[ . 1 . 2]" 2
1791 1 54 SER HA 1 55 PRO QD . . 3.010 2.107 2.049 2.143 . 0 0 "[ . 1 . 2]" 2
1792 1 54 SER QB 1 55 PRO HG2 . . 4.390 3.790 3.635 4.522 0.132 18 0 "[ . 1 . 2]" 2
1793 1 54 SER QB 1 55 PRO QD . . 3.390 2.167 1.961 2.951 . 0 0 "[ . 1 . 2]" 2
1794 1 54 SER QB 1 56 GLU H . . 3.660 2.366 2.172 2.674 . 0 0 "[ . 1 . 2]" 2
1795 1 54 SER QB 1 56 GLU HB2 . . 3.800 2.997 2.720 3.573 . 0 0 "[ . 1 . 2]" 2
1796 1 54 SER QB 1 57 LEU HB2 . . 4.100 3.384 3.115 3.987 . 0 0 "[ . 1 . 2]" 2
1797 1 54 SER QB 1 57 LEU HG . . 4.050 3.226 2.819 3.852 . 0 0 "[ . 1 . 2]" 2
1798 1 54 SER QB 1 57 LEU MD1 . . 3.640 2.717 2.372 3.157 . 0 0 "[ . 1 . 2]" 2
1799 1 55 PRO HA 1 58 LYS QB . . 4.140 3.331 2.840 4.045 . 0 0 "[ . 1 . 2]" 2
1800 1 55 PRO HB2 1 59 GLN QE . . 4.320 3.662 2.676 4.312 . 0 0 "[ . 1 . 2]" 2
1801 1 55 PRO QD 1 56 GLU H . . 3.430 2.677 2.603 2.913 . 0 0 "[ . 1 . 2]" 2
1802 1 56 GLU H 1 56 GLU QG . . 3.950 3.191 2.783 3.882 . 0 0 "[ . 1 . 2]" 2
1803 1 56 GLU HA 1 56 GLU QG . . 3.130 2.317 2.156 2.784 . 0 0 "[ . 1 . 2]" 2
1804 1 56 GLU QG 1 57 LEU H . . 4.790 4.414 4.099 4.729 . 0 0 "[ . 1 . 2]" 2
1805 1 57 LEU MD2 1 60 GLU QG . . 4.010 3.587 2.879 4.014 0.004 2 0 "[ . 1 . 2]" 2
1806 1 58 LYS H 1 58 LYS QB . . 3.510 2.255 2.108 2.471 . 0 0 "[ . 1 . 2]" 2
1807 1 58 LYS QB 1 58 LYS QE . . 3.720 2.899 1.973 3.650 . 0 0 "[ . 1 . 2]" 2
1808 1 58 LYS QB 1 59 GLN HG2 . . 5.340 4.738 4.186 5.353 0.013 7 0 "[ . 1 . 2]" 2
1809 1 58 LYS QB 1 59 GLN HG3 . . 5.340 4.288 3.595 5.361 0.021 4 0 "[ . 1 . 2]" 2
1810 1 58 LYS QB 1 61 HIS H . . 5.340 4.924 4.572 5.155 . 0 0 "[ . 1 . 2]" 2
1811 1 60 GLU HA 1 60 GLU QG . . 3.510 3.070 2.563 3.414 . 0 0 "[ . 1 . 2]" 2
1812 1 60 GLU QG 1 61 HIS H . . 4.110 3.248 1.935 3.966 . 0 0 "[ . 1 . 2]" 2
1813 1 61 HIS H 1 64 LYS QD . . 5.340 4.519 3.761 4.765 . 0 0 "[ . 1 . 2]" 2
1814 1 61 HIS HA 1 64 LYS QB . . 4.570 4.268 3.310 4.518 . 0 0 "[ . 1 . 2]" 2
1815 1 63 SER H 1 64 LYS QD . . 5.340 4.970 3.476 5.401 0.061 10 0 "[ . 1 . 2]" 2
1816 1 63 SER QB 1 64 LYS QD . . 4.770 4.006 1.964 4.815 0.045 14 0 "[ . 1 . 2]" 2
1817 1 64 LYS H 1 64 LYS QD . . 4.350 3.269 1.866 3.874 . 0 0 "[ . 1 . 2]" 2
1818 1 64 LYS HA 1 64 LYS QE . . 5.340 4.492 3.853 5.404 0.064 15 0 "[ . 1 . 2]" 2
1819 1 64 LYS QB 1 64 LYS QE . . 4.070 2.354 1.941 3.744 . 0 0 "[ . 1 . 2]" 2
1820 1 64 LYS QB 1 65 CYS H . . 4.030 3.950 3.205 4.022 . 0 0 "[ . 1 . 2]" 2
1821 1 64 LYS QB 1 65 CYS HA . . 4.720 4.585 3.927 4.729 0.009 15 0 "[ . 1 . 2]" 2
1822 1 64 LYS QE 1 64 LYS QG . . 3.150 2.301 2.063 2.684 . 0 0 "[ . 1 . 2]" 2
1823 1 64 LYS QD 1 65 CYS H . . 5.340 4.889 3.708 5.360 0.020 10 0 "[ . 1 . 2]" 2
1824 1 65 CYS HA 1 66 GLU QG . . 4.290 3.970 3.552 4.309 0.019 2 0 "[ . 1 . 2]" 2
1825 1 65 CYS HB2 1 68 LYS QB . . 5.000 3.584 3.395 3.933 . 0 0 "[ . 1 . 2]" 2
1826 1 66 GLU H 1 66 GLU QG . . 3.580 2.228 1.903 2.685 . 0 0 "[ . 1 . 2]" 2
1827 1 66 GLU QG 1 67 TYR H . . 4.210 2.272 1.948 2.719 . 0 0 "[ . 1 . 2]" 2
1828 1 66 GLU QG 1 67 TYR HA . . 4.210 3.590 3.367 3.938 . 0 0 "[ . 1 . 2]" 2
1829 1 66 GLU QG 1 67 TYR QD . . 4.040 2.113 1.782 2.406 . 0 0 "[ . 1 . 2]" 2
1830 1 66 GLU QG 1 67 TYR QE . . 4.320 3.184 2.542 3.772 . 0 0 "[ . 1 . 2]" 2
1831 1 66 GLU QG 1 70 LEU MD1 . . 4.770 3.850 2.732 4.594 . 0 0 "[ . 1 . 2]" 2
1832 1 67 TYR H 1 68 LYS QB . . 4.470 4.174 3.983 4.321 . 0 0 "[ . 1 . 2]" 2
1833 1 67 TYR HA 1 70 LEU QB . . 4.830 2.363 1.995 2.860 . 0 0 "[ . 1 . 2]" 2
1834 1 67 TYR QB 1 68 LYS H . . 3.780 2.940 2.759 3.150 . 0 0 "[ . 1 . 2]" 2
1835 1 67 TYR QB 1 70 LEU MD1 . . 5.210 4.225 3.741 4.619 . 0 0 "[ . 1 . 2]" 2
1836 1 68 LYS H 1 68 LYS QG . . 4.050 3.977 3.948 4.051 0.001 5 0 "[ . 1 . 2]" 2
1837 1 68 LYS H 1 69 LYS QB . . 5.340 5.179 4.926 5.365 0.025 15 0 "[ . 1 . 2]" 2
1838 1 68 LYS QB 1 69 LYS H . . 3.430 2.286 2.152 2.739 . 0 0 "[ . 1 . 2]" 2
1839 1 68 LYS QE 1 68 LYS QG . . 2.870 2.167 2.105 2.291 . 0 0 "[ . 1 . 2]" 2
1840 1 68 LYS QG 1 69 LYS H . . 4.250 3.105 2.739 3.410 . 0 0 "[ . 1 . 2]" 2
1841 1 68 LYS QG 1 71 THR H . . 5.340 4.634 4.304 5.093 . 0 0 "[ . 1 . 2]" 2
1842 1 68 LYS QG 1 73 LEU MD2 . . 4.490 3.467 2.714 4.316 . 0 0 "[ . 1 . 2]" 2
1843 1 69 LYS H 1 69 LYS QB . . 3.080 2.492 2.234 2.804 . 0 0 "[ . 1 . 2]" 2
1844 1 69 LYS QB 1 69 LYS QD . . 3.360 2.128 2.031 2.287 . 0 0 "[ . 1 . 2]" 2
1845 1 69 LYS QB 1 69 LYS QE . . 4.100 3.194 1.956 3.679 . 0 0 "[ . 1 . 2]" 2
1846 1 69 LYS QB 1 70 LEU H . . 4.250 3.338 2.178 3.621 . 0 0 "[ . 1 . 2]" 2
1847 1 69 LYS QB 1 70 LEU HA . . 5.180 4.316 3.784 4.604 . 0 0 "[ . 1 . 2]" 2
1848 1 69 LYS QB 1 70 LEU MD2 . . 4.470 4.189 3.177 4.516 0.046 18 0 "[ . 1 . 2]" 2
1849 1 69 LYS QE 1 70 LEU QB . . 5.340 4.428 3.835 5.213 . 0 0 "[ . 1 . 2]" 2
1850 1 70 LEU QB 1 71 THR H . . 4.000 3.372 3.015 3.746 . 0 0 "[ . 1 . 2]" 2
1851 1 70 LEU QB 1 78 THR MG . . 3.960 2.789 2.337 3.019 . 0 0 "[ . 1 . 2]" 2
1852 1 70 LEU QB 1 82 SER HA . . 5.340 4.563 3.963 5.050 . 0 0 "[ . 1 . 2]" 2
1853 1 70 LEU QB 1 85 ILE MG . . 4.350 3.890 3.397 4.354 0.004 15 0 "[ . 1 . 2]" 2
1854 1 70 LEU QB 1 85 ILE MD . . 4.260 3.892 3.546 4.152 . 0 0 "[ . 1 . 2]" 2
1855 1 70 LEU MD1 1 79 PHE QB . . 5.340 4.476 3.986 4.712 . 0 0 "[ . 1 . 2]" 2
1856 1 70 LEU MD1 1 82 SER QB . . 5.140 4.492 3.876 5.055 . 0 0 "[ . 1 . 2]" 2
1857 1 70 LEU MD2 1 79 PHE QB . . 4.570 3.553 3.006 3.956 . 0 0 "[ . 1 . 2]" 2
1858 1 70 LEU MD2 1 82 SER QB . . 3.940 2.509 1.922 3.310 . 0 0 "[ . 1 . 2]" 2
1859 1 71 THR MG 1 73 LEU QB . . 5.070 4.531 4.307 4.760 . 0 0 "[ . 1 . 2]" 2
1860 1 71 THR MG 1 76 MET QB . . 4.560 3.958 3.461 4.329 . 0 0 "[ . 1 . 2]" 2
1861 1 72 CYS HB2 1 85 ILE QG . . 4.840 2.902 2.495 3.168 . 0 0 "[ . 1 . 2]" 2
1862 1 73 LEU H 1 73 LEU QB . . 3.430 2.650 2.546 2.737 . 0 0 "[ . 1 . 2]" 2
1863 1 73 LEU QB 1 73 LEU MD2 . . 3.040 2.263 2.189 2.362 . 0 0 "[ . 1 . 2]" 2
1864 1 73 LEU QB 1 74 GLU H . . 3.190 2.693 2.447 2.979 . 0 0 "[ . 1 . 2]" 2
1865 1 74 GLU QB 1 93 HIS HE1 . . 4.330 2.299 1.953 4.201 . 0 0 "[ . 1 . 2]" 2
1866 1 76 MET ME 1 76 MET QG . . 2.950 2.243 2.100 2.541 . 0 0 "[ . 1 . 2]" 2
1867 1 77 ARG HA 1 77 ARG QD . . 4.540 3.793 3.123 4.152 . 0 0 "[ . 1 . 2]" 2
1868 1 77 ARG QD 1 79 PHE QE . . 3.990 3.244 2.125 3.872 . 0 0 "[ . 1 . 2]" 2
1869 1 77 ARG QD 1 79 PHE HZ . . 3.910 3.049 2.114 3.729 . 0 0 "[ . 1 . 2]" 2
1870 1 77 ARG QD 1 88 HIS HE1 . . 4.000 2.901 2.203 3.804 . 0 0 "[ . 1 . 2]" 2
1871 1 78 THR MG 1 79 PHE QB . . 5.000 4.108 3.898 4.308 . 0 0 "[ . 1 . 2]" 2
1872 1 79 PHE QB 1 80 LYS H . . 4.020 1.959 1.911 2.148 . 0 0 "[ . 1 . 2]" 2
1873 1 79 PHE QB 1 81 SER H . . 3.410 2.703 2.259 2.922 . 0 0 "[ . 1 . 2]" 2
1874 1 79 PHE QB 1 84 SER QB . . 3.410 2.705 2.432 2.892 . 0 0 "[ . 1 . 2]" 2
1875 1 79 PHE QB 1 85 ILE H . . 3.660 3.028 2.789 3.266 . 0 0 "[ . 1 . 2]" 2
1876 1 79 PHE QB 1 85 ILE HB . . 3.820 2.052 1.968 2.256 . 0 0 "[ . 1 . 2]" 2
1877 1 79 PHE QB 1 85 ILE MG . . 4.280 3.000 2.856 3.105 . 0 0 "[ . 1 . 2]" 2
1878 1 79 PHE QB 1 85 ILE MD . . 4.050 3.197 2.932 3.520 . 0 0 "[ . 1 . 2]" 2
1879 1 79 PHE QE 1 85 ILE QG . . 4.410 2.738 2.418 3.179 . 0 0 "[ . 1 . 2]" 2
1880 1 80 LYS H 1 80 LYS QG . . 4.330 3.525 2.168 4.103 . 0 0 "[ . 1 . 2]" 2
1881 1 80 LYS HA 1 80 LYS QG . . 3.610 2.672 2.180 3.428 . 0 0 "[ . 1 . 2]" 2
1882 1 80 LYS QB 1 80 LYS QD . . 3.420 2.299 2.105 2.575 . 0 0 "[ . 1 . 2]" 2
1883 1 80 LYS QB 1 80 LYS QE . . 4.010 3.076 1.962 3.792 . 0 0 "[ . 1 . 2]" 2
1884 1 80 LYS QB 1 81 SER H . . 3.730 2.775 2.430 3.733 0.003 16 0 "[ . 1 . 2]" 2
1885 1 80 LYS QE 1 80 LYS QG . . 3.070 2.223 2.066 2.572 . 0 0 "[ . 1 . 2]" 2
1886 1 80 LYS QG 1 81 SER H . . 5.130 3.788 1.935 4.682 . 0 0 "[ . 1 . 2]" 2
1887 1 81 SER H 1 81 SER QB . . 3.700 2.719 2.483 3.138 . 0 0 "[ . 1 . 2]" 2
1888 1 82 SER QB 1 83 PHE HA . . 4.840 4.079 3.806 4.453 . 0 0 "[ . 1 . 2]" 2
1889 1 82 SER QB 1 85 ILE MG . . 4.380 3.597 3.301 3.903 . 0 0 "[ . 1 . 2]" 2
1890 1 82 SER QB 1 100 PRO QG . . 4.670 3.547 1.974 4.664 . 0 0 "[ . 1 . 2]" 2
1891 1 83 PHE QB 1 84 SER H . . 3.390 2.701 2.427 3.070 . 0 0 "[ . 1 . 2]" 2
1892 1 83 PHE QD 1 87 ARG QG . . 5.010 4.043 3.017 4.506 . 0 0 "[ . 1 . 2]" 2
1893 1 83 PHE HZ 1 87 ARG QG . . 5.310 4.196 3.285 4.617 . 0 0 "[ . 1 . 2]" 2
1894 1 84 SER HA 1 87 ARG QG . . 4.570 3.595 3.326 3.870 . 0 0 "[ . 1 . 2]" 2
1895 1 85 ILE H 1 85 ILE QG . . 4.610 3.973 3.966 3.981 . 0 0 "[ . 1 . 2]" 2
1896 1 85 ILE HA 1 85 ILE QG . . 3.520 2.362 2.279 2.421 . 0 0 "[ . 1 . 2]" 2
1897 1 85 ILE MG 1 89 GLN QE . . 4.480 3.303 2.497 4.482 0.002 4 0 "[ . 1 . 2]" 2
1898 1 85 ILE QG 1 86 TRP H . . 5.340 3.631 3.460 3.860 . 0 0 "[ . 1 . 2]" 2
1899 1 85 ILE QG 1 88 HIS H . . 4.090 4.040 3.893 4.118 0.028 16 0 "[ . 1 . 2]" 2
1900 1 85 ILE QG 1 88 HIS HB3 . . 4.540 2.769 2.621 2.851 . 0 0 "[ . 1 . 2]" 2
1901 1 85 ILE QG 1 88 HIS HD2 . . 4.080 2.629 2.445 2.841 . 0 0 "[ . 1 . 2]" 2
1902 1 85 ILE QG 1 89 GLN H . . 4.840 3.798 3.631 3.899 . 0 0 "[ . 1 . 2]" 2
1903 1 85 ILE QG 1 89 GLN HG3 . . 4.690 2.214 1.976 2.433 . 0 0 "[ . 1 . 2]" 2
1904 1 85 ILE QG 1 89 GLN QE . . 3.820 2.493 1.879 3.686 . 0 0 "[ . 1 . 2]" 2
1905 1 85 ILE MD 1 89 GLN QE . . 3.420 2.598 1.842 3.213 . 0 0 "[ . 1 . 2]" 2
1906 1 86 TRP HE3 1 87 ARG QG . . 4.120 2.789 2.193 3.145 . 0 0 "[ . 1 . 2]" 2
1907 1 86 TRP HE1 1 96 ASN QB . . 4.570 4.014 1.978 4.580 0.010 17 0 "[ . 1 . 2]" 2
1908 1 87 ARG H 1 87 ARG QG . . 3.400 2.198 1.984 2.325 . 0 0 "[ . 1 . 2]" 2
1909 1 87 ARG QG 1 88 HIS H . . 4.460 4.075 3.976 4.209 . 0 0 "[ . 1 . 2]" 2
1910 1 89 GLN HB2 1 95 GLN QB . . 4.490 4.191 3.649 4.519 0.029 18 0 "[ . 1 . 2]" 2
1911 1 90 VAL HA 1 94 ASN QB . . 4.200 4.167 3.985 4.220 0.020 18 0 "[ . 1 . 2]" 2
1912 1 90 VAL HA 1 95 GLN QB . . 4.660 4.304 4.081 4.688 0.028 18 0 "[ . 1 . 2]" 2
1913 1 90 VAL MG1 1 94 ASN QB . . 5.170 4.281 3.985 4.467 . 0 0 "[ . 1 . 2]" 2
1914 1 90 VAL MG2 1 95 GLN QB . . 4.650 4.181 3.785 4.463 . 0 0 "[ . 1 . 2]" 2
1915 1 90 VAL MG2 1 96 ASN QB . . 3.660 2.942 1.866 3.616 . 0 0 "[ . 1 . 2]" 2
1916 1 93 HIS H 1 94 ASN QB . . 5.340 4.986 4.649 5.371 0.031 17 0 "[ . 1 . 2]" 2
1917 1 93 HIS HB3 1 94 ASN QB . . 5.340 5.099 4.800 5.477 0.137 19 0 "[ . 1 . 2]" 2
1918 1 93 HIS HB3 1 95 GLN QB . . 4.260 3.446 3.209 4.012 . 0 0 "[ . 1 . 2]" 2
1919 1 94 ASN QB 1 94 ASN QD . . 2.970 2.180 2.067 2.367 . 0 0 "[ . 1 . 2]" 2
1920 1 95 GLN H 1 95 GLN QB . . 3.160 2.363 2.125 2.902 . 0 0 "[ . 1 . 2]" 2
1921 1 95 GLN HA 1 96 ASN QB . . 5.340 4.557 4.135 5.346 0.006 19 0 "[ . 1 . 2]" 2
1922 1 95 GLN HA 1 97 ASN QB . . 5.340 4.915 4.037 5.364 0.024 13 0 "[ . 1 . 2]" 2
1923 1 95 GLN QB 1 96 ASN H . . 3.980 3.426 2.094 3.910 . 0 0 "[ . 1 . 2]" 2
1924 1 95 GLN QB 1 97 ASN H . . 4.770 3.585 2.646 4.697 . 0 0 "[ . 1 . 2]" 2
1925 1 96 ASN QB 1 96 ASN QD . . 2.900 2.275 2.101 2.479 . 0 0 "[ . 1 . 2]" 2
1926 1 96 ASN QD 1 97 ASN H . . 4.980 4.524 3.309 4.983 0.003 1 0 "[ . 1 . 2]" 2
1927 1 97 ASN H 1 97 ASN QB . . 3.270 2.330 2.159 2.894 . 0 0 "[ . 1 . 2]" 2
1928 1 97 ASN QB 1 98 MET H . . 3.770 2.610 2.034 3.766 . 0 0 "[ . 1 . 2]" 2
1929 1 98 MET H 1 98 MET QB . . 3.280 2.592 2.118 3.316 0.036 4 0 "[ . 1 . 2]" 2
1930 1 98 MET H 1 98 MET QG . . 3.720 2.882 1.979 3.725 0.005 1 0 "[ . 1 . 2]" 2
1931 1 98 MET QG 1 99 ALA H . . 4.110 3.865 2.951 4.290 0.180 4 0 "[ . 1 . 2]" 2
1932 1 99 ALA MB 1 100 PRO QD . . 3.030 2.183 1.947 2.605 . 0 0 "[ . 1 . 2]" 2
1933 1 103 GLY QA 1 104 PRO QD . . 2.750 1.944 1.840 2.297 . 0 0 "[ . 1 . 2]" 2
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