NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506517 |
1x6h   |
10246 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x6h
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 25
_Distance_constraint_stats_list.Viol_count 135
_Distance_constraint_stats_list.Viol_total 7.406
_Distance_constraint_stats_list.Viol_max 0.013
_Distance_constraint_stats_list.Viol_rms 0.0017
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0027
_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 18 CYS 0.017 0.004 18 0 "[ . 1 . 2]"
1 21 CYS 0.054 0.009 18 0 "[ . 1 . 2]"
1 34 HIS 0.047 0.008 5 0 "[ . 1 . 2]"
1 39 HIS 0.069 0.008 5 0 "[ . 1 . 2]"
1 50 CYS 0.140 0.010 18 0 "[ . 1 . 2]"
1 53 CYS 0.068 0.008 1 0 "[ . 1 . 2]"
1 66 HIS 0.002 0.001 6 0 "[ . 1 . 2]"
1 70 CYS 0.100 0.013 18 0 "[ . 1 . 2]"
2 1 ZN 0.078 0.009 18 0 "[ . 1 . 2]"
3 1 ZN 0.167 0.013 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 18 CYS SG 2 1 ZN ZN . 2.330 2.370 2.344 2.326 2.372 0.004 18 0 "[ . 1 . 2]" 1
2 1 21 CYS SG 2 1 ZN ZN . 2.330 2.370 2.333 2.321 2.354 0.009 18 0 "[ . 1 . 2]" 1
3 1 34 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.345 2.326 2.368 0.004 18 0 "[ . 1 . 2]" 1
4 1 39 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.336 2.322 2.366 0.008 18 0 "[ . 1 . 2]" 1
5 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.318 3.251 3.431 . 0 0 "[ . 1 . 2]" 1
6 1 21 CYS CB 2 1 ZN ZN . 3.250 3.510 3.487 3.387 3.514 0.004 12 0 "[ . 1 . 2]" 1
7 1 18 CYS SG 1 21 CYS SG . 3.200 4.000 3.703 3.463 3.976 . 0 0 "[ . 1 . 2]" 1
8 1 18 CYS SG 1 34 HIS NE2 . 3.200 4.000 3.951 3.836 4.002 0.002 20 0 "[ . 1 . 2]" 1
9 1 18 CYS SG 1 39 HIS NE2 . 3.200 4.000 3.868 3.717 3.999 . 0 0 "[ . 1 . 2]" 1
10 1 21 CYS SG 1 34 HIS NE2 . 3.200 4.000 3.272 3.198 3.398 0.002 20 0 "[ . 1 . 2]" 1
11 1 21 CYS SG 1 39 HIS NE2 . 3.200 4.000 3.985 3.897 4.005 0.005 11 0 "[ . 1 . 2]" 1
12 1 34 HIS NE2 1 39 HIS NE2 . 3.200 4.000 3.991 3.926 4.008 0.008 5 0 "[ . 1 . 2]" 1
13 1 50 CYS SG 3 1 ZN ZN . 2.330 2.370 2.366 2.334 2.376 0.006 19 0 "[ . 1 . 2]" 1
14 1 53 CYS SG 3 1 ZN ZN . 2.330 2.370 2.351 2.324 2.372 0.006 18 0 "[ . 1 . 2]" 1
15 1 66 HIS NE2 3 1 ZN ZN . 2.330 2.370 2.360 2.330 2.371 0.001 6 0 "[ . 1 . 2]" 1
16 1 70 CYS SG 3 1 ZN ZN . 2.330 2.370 2.332 2.317 2.351 0.013 18 0 "[ . 1 . 2]" 1
17 1 50 CYS CB 3 1 ZN ZN . 3.250 3.510 3.248 3.243 3.254 0.007 20 0 "[ . 1 . 2]" 1
18 1 53 CYS CB 3 1 ZN ZN . 3.250 3.510 3.461 3.248 3.516 0.006 18 0 "[ . 1 . 2]" 1
19 1 70 CYS CB 3 1 ZN ZN . 3.250 3.510 3.332 3.247 3.517 0.007 18 0 "[ . 1 . 2]" 1
20 1 50 CYS SG 1 53 CYS SG . 3.200 4.000 3.931 3.676 4.008 0.008 1 0 "[ . 1 . 2]" 1
21 1 50 CYS SG 1 66 HIS NE2 . 3.200 4.000 3.662 3.269 3.909 . 0 0 "[ . 1 . 2]" 1
22 1 50 CYS SG 1 70 CYS SG . 3.200 4.000 3.995 3.913 4.010 0.010 18 0 "[ . 1 . 2]" 1
23 1 53 CYS SG 1 66 HIS NE2 . 3.200 4.000 3.826 3.439 3.957 . 0 0 "[ . 1 . 2]" 1
24 1 53 CYS SG 1 70 CYS SG . 3.200 4.000 3.874 3.726 4.002 0.002 3 0 "[ . 1 . 2]" 1
25 1 66 HIS NE2 1 70 CYS SG . 3.200 4.000 3.657 3.372 3.904 . 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 1393
_Distance_constraint_stats_list.Viol_count 688
_Distance_constraint_stats_list.Viol_total 243.445
_Distance_constraint_stats_list.Viol_max 0.142
_Distance_constraint_stats_list.Viol_rms 0.0042
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0177
_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 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.240 0.053 14 0 "[ . 1 . 2]"
1 14 LYS 0.663 0.071 14 0 "[ . 1 . 2]"
1 15 PRO 0.576 0.071 14 0 "[ . 1 . 2]"
1 16 TYR 1.146 0.106 9 0 "[ . 1 . 2]"
1 17 ALA 0.009 0.004 7 0 "[ . 1 . 2]"
1 18 CYS 0.243 0.019 19 0 "[ . 1 . 2]"
1 19 SER 0.034 0.020 10 0 "[ . 1 . 2]"
1 20 HIS 0.034 0.020 10 0 "[ . 1 . 2]"
1 21 CYS 0.041 0.017 6 0 "[ . 1 . 2]"
1 22 ASP 0.001 0.001 17 0 "[ . 1 . 2]"
1 23 LYS 0.802 0.038 11 0 "[ . 1 . 2]"
1 24 THR 0.524 0.047 6 0 "[ . 1 . 2]"
1 25 PHE 1.620 0.073 13 0 "[ . 1 . 2]"
1 26 ARG 0.632 0.101 20 0 "[ . 1 . 2]"
1 27 GLN 0.614 0.109 15 0 "[ . 1 . 2]"
1 28 LYS 0.099 0.026 15 0 "[ . 1 . 2]"
1 29 GLN 0.107 0.062 18 0 "[ . 1 . 2]"
1 30 LEU 1.322 0.109 15 0 "[ . 1 . 2]"
1 31 LEU 0.924 0.106 9 0 "[ . 1 . 2]"
1 32 ASP 0.149 0.020 18 0 "[ . 1 . 2]"
1 33 MET 1.070 0.057 8 0 "[ . 1 . 2]"
1 34 HIS 1.006 0.057 8 0 "[ . 1 . 2]"
1 35 PHE 1.758 0.097 17 0 "[ . 1 . 2]"
1 36 LYS 1.888 0.097 17 0 "[ . 1 . 2]"
1 37 ARG 0.669 0.142 15 0 "[ . 1 . 2]"
1 38 TYR 0.317 0.136 19 0 "[ . 1 . 2]"
1 39 HIS 0.124 0.027 16 0 "[ . 1 . 2]"
1 40 ASP 0.115 0.043 3 0 "[ . 1 . 2]"
1 41 PRO 0.037 0.037 15 0 "[ . 1 . 2]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PHE 0.439 0.070 16 0 "[ . 1 . 2]"
1 44 VAL 0.168 0.060 17 0 "[ . 1 . 2]"
1 45 PRO 0.215 0.060 17 0 "[ . 1 . 2]"
1 46 ALA 0.033 0.014 3 0 "[ . 1 . 2]"
1 47 ALA 0.171 0.019 7 0 "[ . 1 . 2]"
1 48 PHE 0.319 0.039 2 0 "[ . 1 . 2]"
1 49 VAL 0.657 0.061 18 0 "[ . 1 . 2]"
1 50 CYS 0.805 0.070 20 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LYS 0.479 0.055 14 0 "[ . 1 . 2]"
1 53 CYS 0.320 0.070 20 0 "[ . 1 . 2]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 0.174 0.028 18 0 "[ . 1 . 2]"
1 56 THR 0.288 0.061 18 0 "[ . 1 . 2]"
1 57 PHE 0.375 0.063 19 0 "[ . 1 . 2]"
1 58 THR 0.000 0.000 2 0 "[ . 1 . 2]"
1 59 ARG 0.118 0.028 17 0 "[ . 1 . 2]"
1 60 ARG 0.056 0.015 6 0 "[ . 1 . 2]"
1 61 ASN 0.003 0.003 18 0 "[ . 1 . 2]"
1 62 THR 0.013 0.007 18 0 "[ . 1 . 2]"
1 63 MET 0.394 0.063 19 0 "[ . 1 . 2]"
1 64 ALA 0.006 0.006 4 0 "[ . 1 . 2]"
1 65 ARG 0.004 0.003 18 0 "[ . 1 . 2]"
1 66 HIS 0.244 0.041 16 0 "[ . 1 . 2]"
1 67 ALA 0.283 0.041 16 0 "[ . 1 . 2]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 CYS 0.105 0.055 14 0 "[ . 1 . 2]"
1 71 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLY 0.019 0.012 12 0 "[ . 1 . 2]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ASP 0.014 0.009 6 0 "[ . 1 . 2]"
1 75 GLY 0.014 0.009 6 0 "[ . 1 . 2]"
1 76 VAL 0.101 0.053 9 0 "[ . 1 . 2]"
1 77 GLU 0.096 0.053 9 0 "[ . 1 . 2]"
1 78 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 18 CYS H 1 21 CYS H . . 5.500 5.464 5.148 5.517 0.017 6 0 "[ . 1 . 2]" 2
2 1 18 CYS H 1 25 PHE QD . . 4.760 3.586 3.385 3.980 . 0 0 "[ . 1 . 2]" 2
3 1 18 CYS H 1 25 PHE QE . . 4.420 2.977 2.725 3.441 . 0 0 "[ . 1 . 2]" 2
4 1 18 CYS H 1 24 THR HA . . 3.790 3.017 2.923 3.138 . 0 0 "[ . 1 . 2]" 2
5 1 18 CYS H 1 18 CYS HB3 . . 3.330 2.777 2.635 2.901 . 0 0 "[ . 1 . 2]" 2
6 1 18 CYS H 1 18 CYS HB2 . . 3.370 2.311 2.229 2.451 . 0 0 "[ . 1 . 2]" 2
7 1 18 CYS H 1 24 THR MG . . 3.740 3.629 3.298 3.750 0.010 6 0 "[ . 1 . 2]" 2
8 1 74 ASP HB2 1 75 GLY H . . 4.850 3.783 2.366 4.568 . 0 0 "[ . 1 . 2]" 2
9 1 74 ASP HB3 1 75 GLY H . . 4.850 3.772 2.261 4.665 . 0 0 "[ . 1 . 2]" 2
10 1 77 GLU H 1 77 GLU QG . . 4.700 2.889 1.905 4.403 . 0 0 "[ . 1 . 2]" 2
11 1 76 VAL HB 1 77 GLU H . . 4.840 3.679 2.039 4.620 . 0 0 "[ . 1 . 2]" 2
12 1 76 VAL MG1 1 77 GLU H . . 4.810 3.563 2.152 4.029 . 0 0 "[ . 1 . 2]" 2
13 1 55 LYS H 1 57 PHE QE . . 4.670 3.650 3.410 3.980 . 0 0 "[ . 1 . 2]" 2
14 1 50 CYS HB3 1 55 LYS H . . 3.590 2.031 1.893 2.245 . 0 0 "[ . 1 . 2]" 2
15 1 55 LYS H 1 55 LYS HB2 . . 3.280 2.244 2.167 2.426 . 0 0 "[ . 1 . 2]" 2
16 1 55 LYS H 1 56 THR H . . 4.710 4.563 4.498 4.603 . 0 0 "[ . 1 . 2]" 2
17 1 53 CYS HA 1 55 LYS H . . 5.500 5.170 4.957 5.359 . 0 0 "[ . 1 . 2]" 2
18 1 50 CYS HB2 1 55 LYS H . . 3.980 2.774 2.435 3.200 . 0 0 "[ . 1 . 2]" 2
19 1 53 CYS HB3 1 55 LYS H . . 5.050 4.854 4.654 5.049 . 0 0 "[ . 1 . 2]" 2
20 1 55 LYS H 1 55 LYS HG2 . . 4.670 4.298 4.017 4.629 . 0 0 "[ . 1 . 2]" 2
21 1 55 LYS H 1 55 LYS HB3 . . 3.570 3.367 2.849 3.552 . 0 0 "[ . 1 . 2]" 2
22 1 45 PRO HA 1 46 ALA H . . 3.100 2.179 2.152 2.286 . 0 0 "[ . 1 . 2]" 2
23 1 45 PRO HB3 1 46 ALA H . . 4.260 3.918 3.625 4.205 . 0 0 "[ . 1 . 2]" 2
24 1 46 ALA H 1 46 ALA MB . . 3.370 2.075 2.053 2.137 . 0 0 "[ . 1 . 2]" 2
25 1 43 PHE QE 1 46 ALA H . . 5.200 4.888 4.648 5.205 0.005 16 0 "[ . 1 . 2]" 2
26 1 45 PRO QD 1 46 ALA H . . 5.200 4.980 4.875 5.006 . 0 0 "[ . 1 . 2]" 2
27 1 46 ALA H 1 47 ALA MB . . 5.350 5.051 4.959 5.192 . 0 0 "[ . 1 . 2]" 2
28 1 44 VAL MG1 1 46 ALA H . . 5.500 5.050 4.380 5.496 . 0 0 "[ . 1 . 2]" 2
29 1 44 VAL MG2 1 46 ALA H . . 5.500 4.741 4.258 5.094 . 0 0 "[ . 1 . 2]" 2
30 1 68 ASP HA 1 70 CYS H . . 4.920 3.919 3.806 4.071 . 0 0 "[ . 1 . 2]" 2
31 1 70 CYS H 1 70 CYS HB3 . . 3.250 2.492 2.376 2.580 . 0 0 "[ . 1 . 2]" 2
32 1 70 CYS H 1 70 CYS HB2 . . 3.280 2.652 2.550 2.769 . 0 0 "[ . 1 . 2]" 2
33 1 52 LYS H 1 53 CYS H . . 3.160 2.430 2.275 2.579 . 0 0 "[ . 1 . 2]" 2
34 1 52 LYS H 1 53 CYS HA . . 5.340 5.030 4.938 5.174 . 0 0 "[ . 1 . 2]" 2
35 1 50 CYS HA 1 52 LYS H . . 4.460 3.860 3.315 4.171 . 0 0 "[ . 1 . 2]" 2
36 1 51 SER QB 1 52 LYS H . . 4.300 3.338 2.945 3.780 . 0 0 "[ . 1 . 2]" 2
37 1 52 LYS H 1 72 GLY HA2 . . 5.500 5.351 5.087 5.497 . 0 0 "[ . 1 . 2]" 2
38 1 50 CYS HB3 1 52 LYS H . . 4.760 3.376 3.170 3.874 . 0 0 "[ . 1 . 2]" 2
39 1 50 CYS HB2 1 52 LYS H . . 4.910 4.455 4.302 4.626 . 0 0 "[ . 1 . 2]" 2
40 1 52 LYS H 1 53 CYS HB3 . . 5.500 5.262 5.118 5.394 . 0 0 "[ . 1 . 2]" 2
41 1 52 LYS H 1 52 LYS HB2 . . 3.620 2.388 2.208 2.539 . 0 0 "[ . 1 . 2]" 2
42 1 52 LYS H 1 52 LYS HB3 . . 3.620 3.602 3.495 3.661 0.041 6 0 "[ . 1 . 2]" 2
43 1 52 LYS H 1 52 LYS HG2 . . 4.100 3.689 3.287 4.118 0.018 16 0 "[ . 1 . 2]" 2
44 1 52 LYS H 1 52 LYS HG3 . . 4.100 2.737 2.454 3.129 . 0 0 "[ . 1 . 2]" 2
45 1 48 PHE QD 1 49 VAL H . . 4.770 4.554 4.055 4.731 . 0 0 "[ . 1 . 2]" 2
46 1 48 PHE HB2 1 49 VAL H . . 4.630 4.362 4.066 4.466 . 0 0 "[ . 1 . 2]" 2
47 1 49 VAL H 1 63 MET QG . . 4.790 4.536 4.261 4.795 0.005 19 0 "[ . 1 . 2]" 2
48 1 47 ALA MB 1 49 VAL H . . 5.500 4.756 4.470 5.441 . 0 0 "[ . 1 . 2]" 2
49 1 48 PHE HB3 1 49 VAL H . . 4.020 3.625 2.991 3.879 . 0 0 "[ . 1 . 2]" 2
50 1 49 VAL H 1 49 VAL HB . . 3.390 2.480 2.321 3.013 . 0 0 "[ . 1 . 2]" 2
51 1 31 LEU H 1 32 ASP HA . . 5.300 5.185 5.118 5.278 . 0 0 "[ . 1 . 2]" 2
52 1 31 LEU H 1 32 ASP H . . 3.410 2.589 2.524 2.687 . 0 0 "[ . 1 . 2]" 2
53 1 31 LEU H 1 33 MET H . . 4.740 4.427 4.314 4.596 . 0 0 "[ . 1 . 2]" 2
54 1 31 LEU H 1 34 HIS H . . 5.270 4.727 4.638 4.808 . 0 0 "[ . 1 . 2]" 2
55 1 28 LYS HA 1 31 LEU H . . 3.890 3.370 3.168 3.513 . 0 0 "[ . 1 . 2]" 2
56 1 30 LEU HB2 1 31 LEU H . . 3.550 2.504 2.294 2.648 . 0 0 "[ . 1 . 2]" 2
57 1 30 LEU HB3 1 31 LEU H . . 3.870 3.206 2.855 3.574 . 0 0 "[ . 1 . 2]" 2
58 1 31 LEU H 1 31 LEU HB2 . . 3.520 2.760 2.688 2.844 . 0 0 "[ . 1 . 2]" 2
59 1 31 LEU H 1 31 LEU MD2 . . 4.270 4.192 4.117 4.238 . 0 0 "[ . 1 . 2]" 2
60 1 48 PHE HB2 1 63 MET H . . 5.420 4.874 4.568 5.235 . 0 0 "[ . 1 . 2]" 2
61 1 57 PHE HB2 1 63 MET H . . 4.790 4.188 3.941 4.522 . 0 0 "[ . 1 . 2]" 2
62 1 62 THR MG 1 63 MET H . . 4.420 3.392 3.022 3.677 . 0 0 "[ . 1 . 2]" 2
63 1 57 PHE HB3 1 63 MET H . . 4.770 3.626 3.178 4.076 . 0 0 "[ . 1 . 2]" 2
64 1 48 PHE HB3 1 63 MET H . . 5.500 5.297 4.967 5.504 0.004 9 0 "[ . 1 . 2]" 2
65 1 60 ARG HA 1 63 MET H . . 4.570 3.561 3.107 4.099 . 0 0 "[ . 1 . 2]" 2
66 1 63 MET H 1 63 MET QG . . 4.210 3.946 3.806 4.028 . 0 0 "[ . 1 . 2]" 2
67 1 63 MET H 1 63 MET HB3 . . 3.780 2.677 2.460 2.902 . 0 0 "[ . 1 . 2]" 2
68 1 63 MET H 1 63 MET HB2 . . 3.810 2.396 2.204 2.591 . 0 0 "[ . 1 . 2]" 2
69 1 18 CYS HB3 1 23 LYS H . . 3.910 2.616 2.392 2.885 . 0 0 "[ . 1 . 2]" 2
70 1 23 LYS H 1 25 PHE QE . . 5.030 4.538 4.417 4.643 . 0 0 "[ . 1 . 2]" 2
71 1 21 CYS HA 1 23 LYS H . . 4.900 4.498 4.191 4.686 . 0 0 "[ . 1 . 2]" 2
72 1 23 LYS H 1 23 LYS QG . . 3.310 2.940 2.663 3.080 . 0 0 "[ . 1 . 2]" 2
73 1 23 LYS H 1 23 LYS HB3 . . 3.850 3.642 3.597 3.675 . 0 0 "[ . 1 . 2]" 2
74 1 67 ALA H 1 69 ASN H . . 5.370 4.601 4.419 4.728 . 0 0 "[ . 1 . 2]" 2
75 1 67 ALA H 1 70 CYS H . . 5.500 4.658 4.558 4.796 . 0 0 "[ . 1 . 2]" 2
76 1 63 MET QG 1 67 ALA H . . 5.300 4.359 3.981 4.683 . 0 0 "[ . 1 . 2]" 2
77 1 67 ALA H 1 70 CYS HB2 . . 5.090 4.332 4.009 4.621 . 0 0 "[ . 1 . 2]" 2
78 1 23 LYS H 1 25 PHE HZ . . 5.500 5.490 5.375 5.536 0.036 15 0 "[ . 1 . 2]" 2
79 1 18 CYS HB2 1 23 LYS H . . 4.400 3.750 3.528 3.998 . 0 0 "[ . 1 . 2]" 2
80 1 66 HIS HB2 1 67 ALA H . . 4.150 4.018 3.929 4.088 . 0 0 "[ . 1 . 2]" 2
81 1 66 HIS H 1 67 ALA H . . 3.820 2.820 2.703 2.919 . 0 0 "[ . 1 . 2]" 2
82 1 66 HIS HD2 1 67 ALA H . . 4.550 3.371 3.058 3.608 . 0 0 "[ . 1 . 2]" 2
83 1 66 HIS HB3 1 67 ALA H . . 3.980 2.701 2.568 2.808 . 0 0 "[ . 1 . 2]" 2
84 1 63 MET HA 1 67 ALA H . . 4.890 4.150 3.954 4.508 . 0 0 "[ . 1 . 2]" 2
85 1 60 ARG HA 1 64 ALA H . . 4.420 3.827 3.554 4.196 . 0 0 "[ . 1 . 2]" 2
86 1 64 ALA H 1 64 ALA MB . . 3.000 2.151 2.034 2.256 . 0 0 "[ . 1 . 2]" 2
87 1 60 ARG QD 1 64 ALA H . . 5.500 4.286 2.863 5.498 . 0 0 "[ . 1 . 2]" 2
88 1 64 ALA H 1 66 HIS HB3 . . 5.500 4.967 4.837 5.100 . 0 0 "[ . 1 . 2]" 2
89 1 19 SER H 1 31 LEU MD1 . . 4.590 3.741 3.592 3.970 . 0 0 "[ . 1 . 2]" 2
90 1 63 MET H 1 64 ALA H . . 3.710 2.823 2.667 3.116 . 0 0 "[ . 1 . 2]" 2
91 1 61 ASN HA 1 64 ALA H . . 4.210 3.792 3.556 4.159 . 0 0 "[ . 1 . 2]" 2
92 1 63 MET QG 1 64 ALA H . . 4.240 4.006 3.854 4.141 . 0 0 "[ . 1 . 2]" 2
93 1 63 MET HB3 1 64 ALA H . . 3.760 2.274 2.012 2.461 . 0 0 "[ . 1 . 2]" 2
94 1 64 ALA H 1 65 ARG QG . . 5.330 4.697 4.522 4.917 . 0 0 "[ . 1 . 2]" 2
95 1 63 MET HB2 1 64 ALA H . . 3.950 3.606 3.441 3.758 . 0 0 "[ . 1 . 2]" 2
96 1 13 GLU HA 1 14 LYS H . . 3.550 2.341 2.140 2.775 . 0 0 "[ . 1 . 2]" 2
97 1 14 LYS H 1 15 PRO HD3 . . 5.240 4.216 3.872 4.682 . 0 0 "[ . 1 . 2]" 2
98 1 13 GLU HB2 1 14 LYS H . . 5.230 3.893 2.485 4.574 . 0 0 "[ . 1 . 2]" 2
99 1 13 GLU HB3 1 14 LYS H . . 5.230 3.698 1.994 4.544 . 0 0 "[ . 1 . 2]" 2
100 1 14 LYS H 1 14 LYS HG3 . . 4.740 2.914 2.181 4.002 . 0 0 "[ . 1 . 2]" 2
101 1 14 LYS H 1 14 LYS HG2 . . 4.940 4.162 3.668 4.820 . 0 0 "[ . 1 . 2]" 2
102 1 33 MET H 1 35 PHE H . . 4.680 4.320 4.127 4.466 . 0 0 "[ . 1 . 2]" 2
103 1 35 PHE H 1 37 ARG H . . 3.950 3.700 3.567 3.784 . 0 0 "[ . 1 . 2]" 2
104 1 35 PHE H 1 39 HIS HD2 . . 4.790 4.507 4.434 4.637 . 0 0 "[ . 1 . 2]" 2
105 1 32 ASP HA 1 35 PHE H . . 4.310 3.901 3.747 4.050 . 0 0 "[ . 1 . 2]" 2
106 1 33 MET HA 1 35 PHE H . . 4.740 4.337 4.019 4.535 . 0 0 "[ . 1 . 2]" 2
107 1 35 PHE H 1 35 PHE HB2 . . 3.200 2.492 2.435 2.572 . 0 0 "[ . 1 . 2]" 2
108 1 35 PHE H 1 35 PHE HB3 . . 3.310 2.576 2.506 2.634 . 0 0 "[ . 1 . 2]" 2
109 1 34 HIS HB2 1 35 PHE H . . 4.120 4.049 3.948 4.140 0.020 16 0 "[ . 1 . 2]" 2
110 1 33 MET QB 1 35 PHE H . . 5.340 5.228 4.909 5.356 0.016 12 0 "[ . 1 . 2]" 2
111 1 31 LEU HG 1 35 PHE H . . 5.220 5.061 4.923 5.224 0.004 16 0 "[ . 1 . 2]" 2
112 1 31 LEU MD1 1 35 PHE H . . 4.210 3.793 3.591 4.037 . 0 0 "[ . 1 . 2]" 2
113 1 25 PHE QE 1 35 PHE H . . 5.500 5.428 5.278 5.517 0.017 13 0 "[ . 1 . 2]" 2
114 1 47 ALA H 1 48 PHE H . . 4.210 4.139 4.086 4.209 . 0 0 "[ . 1 . 2]" 2
115 1 46 ALA H 1 47 ALA H . . 4.570 4.366 4.352 4.393 . 0 0 "[ . 1 . 2]" 2
116 1 46 ALA HA 1 47 ALA H . . 3.000 2.155 2.147 2.160 . 0 0 "[ . 1 . 2]" 2
117 1 45 PRO HB2 1 47 ALA H . . 5.140 4.945 4.837 5.027 . 0 0 "[ . 1 . 2]" 2
118 1 46 ALA MB 1 47 ALA H . . 3.600 3.397 3.366 3.416 . 0 0 "[ . 1 . 2]" 2
119 1 47 ALA H 1 47 ALA MB . . 3.270 2.430 2.351 2.502 . 0 0 "[ . 1 . 2]" 2
120 1 35 PHE H 1 36 LYS HB2 . . 5.180 4.720 4.625 4.849 . 0 0 "[ . 1 . 2]" 2
121 1 47 ALA H 1 48 PHE QD . . 5.160 3.708 3.425 3.901 . 0 0 "[ . 1 . 2]" 2
122 1 43 PHE H 1 44 VAL MG1 . . 5.450 5.282 5.005 5.454 0.004 2 0 "[ . 1 . 2]" 2
123 1 37 ARG HB2 1 43 PHE H . . 5.500 5.432 5.243 5.565 0.065 17 0 "[ . 1 . 2]" 2
124 1 42 ASN H 1 43 PHE H . . 3.350 2.831 2.742 2.968 . 0 0 "[ . 1 . 2]" 2
125 1 37 ARG H 1 43 PHE H . . 5.460 5.283 5.120 5.512 0.052 16 0 "[ . 1 . 2]" 2
126 1 43 PHE H 1 43 PHE QD . . 4.190 4.177 4.159 4.193 0.003 17 0 "[ . 1 . 2]" 2
127 1 41 PRO HA 1 43 PHE H . . 4.910 4.756 4.566 4.947 0.037 15 0 "[ . 1 . 2]" 2
128 1 43 PHE H 1 43 PHE HB2 . . 3.360 2.427 2.371 2.496 . 0 0 "[ . 1 . 2]" 2
129 1 43 PHE H 1 43 PHE HB3 . . 3.360 2.650 2.595 2.698 . 0 0 "[ . 1 . 2]" 2
130 1 42 ASN QB 1 43 PHE H . . 4.110 2.189 2.023 2.392 . 0 0 "[ . 1 . 2]" 2
131 1 36 LYS HB2 1 43 PHE H . . 5.400 4.987 4.753 5.376 . 0 0 "[ . 1 . 2]" 2
132 1 25 PHE QD 1 32 ASP H . . 5.500 5.480 5.313 5.519 0.019 17 0 "[ . 1 . 2]" 2
133 1 31 LEU HB3 1 32 ASP H . . 3.880 3.101 2.848 3.256 . 0 0 "[ . 1 . 2]" 2
134 1 30 LEU HA 1 32 ASP H . . 4.920 3.999 3.868 4.277 . 0 0 "[ . 1 . 2]" 2
135 1 31 LEU HG 1 32 ASP H . . 4.440 3.826 3.555 4.010 . 0 0 "[ . 1 . 2]" 2
136 1 31 LEU MD1 1 32 ASP H . . 4.620 4.372 4.246 4.458 . 0 0 "[ . 1 . 2]" 2
137 1 31 LEU MD2 1 32 ASP H . . 4.940 4.671 4.395 4.865 . 0 0 "[ . 1 . 2]" 2
138 1 34 HIS H 1 35 PHE H . . 3.550 2.741 2.609 2.892 . 0 0 "[ . 1 . 2]" 2
139 1 32 ASP H 1 34 HIS H . . 4.710 3.694 3.558 3.887 . 0 0 "[ . 1 . 2]" 2
140 1 25 PHE QE 1 34 HIS H . . 5.390 4.787 4.480 4.973 . 0 0 "[ . 1 . 2]" 2
141 1 34 HIS H 1 34 HIS HB3 . . 3.200 2.194 2.177 2.248 . 0 0 "[ . 1 . 2]" 2
142 1 31 LEU HA 1 34 HIS H . . 3.750 3.543 3.460 3.734 . 0 0 "[ . 1 . 2]" 2
143 1 34 HIS H 1 34 HIS HB2 . . 3.300 2.937 2.879 2.982 . 0 0 "[ . 1 . 2]" 2
144 1 33 MET HG3 1 34 HIS H . . 4.820 2.313 2.113 2.830 . 0 0 "[ . 1 . 2]" 2
145 1 33 MET QB 1 34 HIS H . . 3.680 3.527 3.344 3.626 . 0 0 "[ . 1 . 2]" 2
146 1 30 LEU HB3 1 34 HIS H . . 5.270 5.008 4.770 5.217 . 0 0 "[ . 1 . 2]" 2
147 1 31 LEU MD1 1 34 HIS H . . 4.820 4.602 4.339 4.823 0.003 16 0 "[ . 1 . 2]" 2
148 1 73 PRO QD 1 74 ASP H . . 5.180 4.464 2.602 5.007 . 0 0 "[ . 1 . 2]" 2
149 1 33 MET HG2 1 34 HIS H . . 4.820 3.154 2.173 4.033 . 0 0 "[ . 1 . 2]" 2
150 1 48 PHE HB3 1 57 PHE H . . 5.030 4.950 4.678 5.036 0.006 17 0 "[ . 1 . 2]" 2
151 1 48 PHE H 1 57 PHE H . . 3.980 3.273 3.051 3.430 . 0 0 "[ . 1 . 2]" 2
152 1 57 PHE H 1 57 PHE QD . . 3.510 2.841 2.601 3.201 . 0 0 "[ . 1 . 2]" 2
153 1 56 THR HA 1 57 PHE H . . 3.030 2.194 2.149 2.229 . 0 0 "[ . 1 . 2]" 2
154 1 57 PHE H 1 57 PHE HB3 . . 4.060 3.794 3.702 3.895 . 0 0 "[ . 1 . 2]" 2
155 1 48 PHE HB2 1 57 PHE H . . 4.400 3.964 3.600 4.190 . 0 0 "[ . 1 . 2]" 2
156 1 57 PHE H 1 57 PHE HB2 . . 3.780 2.669 2.510 2.848 . 0 0 "[ . 1 . 2]" 2
157 1 55 LYS HB3 1 57 PHE H . . 5.500 5.469 5.223 5.515 0.015 18 0 "[ . 1 . 2]" 2
158 1 56 THR MG 1 57 PHE H . . 3.980 3.659 3.503 3.803 . 0 0 "[ . 1 . 2]" 2
159 1 47 ALA HA 1 57 PHE H . . 5.220 4.759 4.363 5.004 . 0 0 "[ . 1 . 2]" 2
160 1 57 PHE H 1 63 MET QG . . 5.350 4.111 3.789 4.516 . 0 0 "[ . 1 . 2]" 2
161 1 19 SER HA 1 21 CYS H . . 4.730 4.379 4.112 4.592 . 0 0 "[ . 1 . 2]" 2
162 1 20 HIS H 1 21 CYS H . . 3.010 2.715 2.147 2.845 . 0 0 "[ . 1 . 2]" 2
163 1 19 SER H 1 21 CYS H . . 4.040 3.876 3.665 4.013 . 0 0 "[ . 1 . 2]" 2
164 1 18 CYS HB3 1 21 CYS H . . 3.510 2.836 2.528 2.997 . 0 0 "[ . 1 . 2]" 2
165 1 20 HIS HB2 1 21 CYS H . . 4.010 2.727 2.567 2.926 . 0 0 "[ . 1 . 2]" 2
166 1 20 HIS HB3 1 21 CYS H . . 4.010 3.438 3.150 3.755 . 0 0 "[ . 1 . 2]" 2
167 1 76 VAL H 1 77 GLU H . . 4.550 4.094 2.196 4.603 0.053 9 0 "[ . 1 . 2]" 2
168 1 76 VAL H 1 76 VAL HB . . 3.690 3.214 2.512 3.693 0.003 15 0 "[ . 1 . 2]" 2
169 1 76 VAL H 1 76 VAL MG2 . . 4.480 3.280 2.091 4.065 . 0 0 "[ . 1 . 2]" 2
170 1 36 LYS HA 1 40 ASP H . . 4.600 3.791 3.536 4.077 . 0 0 "[ . 1 . 2]" 2
171 1 40 ASP H 1 40 ASP HB2 . . 3.850 2.902 2.756 3.204 . 0 0 "[ . 1 . 2]" 2
172 1 39 HIS HB2 1 40 ASP H . . 4.600 3.229 3.015 3.364 . 0 0 "[ . 1 . 2]" 2
173 1 39 HIS HB3 1 40 ASP H . . 4.600 4.108 3.982 4.192 . 0 0 "[ . 1 . 2]" 2
174 1 16 TYR H 1 25 PHE H . . 3.920 3.620 3.362 3.777 . 0 0 "[ . 1 . 2]" 2
175 1 16 TYR H 1 16 TYR QD . . 3.400 1.991 1.893 2.189 . 0 0 "[ . 1 . 2]" 2
176 1 16 TYR H 1 16 TYR QE . . 4.420 4.033 3.866 4.294 . 0 0 "[ . 1 . 2]" 2
177 1 15 PRO HA 1 16 TYR H . . 3.530 3.517 3.443 3.560 0.030 8 0 "[ . 1 . 2]" 2
178 1 15 PRO HD2 1 16 TYR H . . 4.280 2.662 2.646 2.733 . 0 0 "[ . 1 . 2]" 2
179 1 16 TYR H 1 16 TYR HB3 . . 3.690 3.623 3.600 3.660 . 0 0 "[ . 1 . 2]" 2
180 1 16 TYR H 1 16 TYR HB2 . . 3.460 2.552 2.476 2.608 . 0 0 "[ . 1 . 2]" 2
181 1 15 PRO HB2 1 16 TYR H . . 3.990 3.350 3.066 3.648 . 0 0 "[ . 1 . 2]" 2
182 1 15 PRO HG3 1 16 TYR H . . 4.650 3.903 3.658 4.205 . 0 0 "[ . 1 . 2]" 2
183 1 16 TYR H 1 24 THR MG . . 5.400 5.193 4.976 5.349 . 0 0 "[ . 1 . 2]" 2
184 1 16 TYR H 1 24 THR HA . . 5.400 5.294 5.019 5.388 . 0 0 "[ . 1 . 2]" 2
185 1 15 PRO HG2 1 16 TYR H . . 4.650 2.399 2.070 2.804 . 0 0 "[ . 1 . 2]" 2
186 1 14 LYS HG2 1 16 TYR H . . 5.140 5.062 4.904 5.166 0.026 14 0 "[ . 1 . 2]" 2
187 1 48 PHE H 1 48 PHE QE . . 5.010 4.811 4.607 5.008 . 0 0 "[ . 1 . 2]" 2
188 1 48 PHE H 1 48 PHE QD . . 3.790 2.690 2.326 3.040 . 0 0 "[ . 1 . 2]" 2
189 1 48 PHE H 1 56 THR HA . . 4.900 4.856 4.562 4.915 0.015 19 0 "[ . 1 . 2]" 2
190 1 48 PHE H 1 58 THR HA . . 4.790 4.043 3.372 4.455 . 0 0 "[ . 1 . 2]" 2
191 1 47 ALA HA 1 48 PHE H . . 3.140 2.163 2.157 2.169 . 0 0 "[ . 1 . 2]" 2
192 1 48 PHE H 1 56 THR HB . . 5.320 5.150 4.817 5.283 . 0 0 "[ . 1 . 2]" 2
193 1 48 PHE H 1 57 PHE HB2 . . 4.720 4.031 3.463 4.215 . 0 0 "[ . 1 . 2]" 2
194 1 46 ALA MB 1 48 PHE H . . 4.500 4.445 4.349 4.507 0.007 17 0 "[ . 1 . 2]" 2
195 1 47 ALA MB 1 48 PHE H . . 3.490 3.412 3.384 3.449 . 0 0 "[ . 1 . 2]" 2
196 1 48 PHE H 1 57 PHE HB3 . . 5.460 5.088 4.519 5.303 . 0 0 "[ . 1 . 2]" 2
197 1 48 PHE H 1 48 PHE HB3 . . 3.930 3.792 3.734 3.830 . 0 0 "[ . 1 . 2]" 2
198 1 48 PHE H 1 48 PHE HB2 . . 3.660 2.664 2.567 2.726 . 0 0 "[ . 1 . 2]" 2
199 1 64 ALA H 1 66 HIS H . . 5.120 4.332 4.249 4.429 . 0 0 "[ . 1 . 2]" 2
200 1 64 ALA HA 1 66 HIS H . . 4.780 4.618 4.482 4.754 . 0 0 "[ . 1 . 2]" 2
201 1 66 HIS H 1 66 HIS HB3 . . 3.450 2.278 2.223 2.340 . 0 0 "[ . 1 . 2]" 2
202 1 66 HIS H 1 66 HIS HB2 . . 3.480 2.822 2.755 2.893 . 0 0 "[ . 1 . 2]" 2
203 1 63 MET HA 1 66 HIS H . . 4.340 3.400 3.270 3.623 . 0 0 "[ . 1 . 2]" 2
204 1 65 ARG QB 1 66 HIS H . . 3.780 2.488 2.371 2.567 . 0 0 "[ . 1 . 2]" 2
205 1 66 HIS H 1 67 ALA MB . . 4.650 4.361 4.234 4.479 . 0 0 "[ . 1 . 2]" 2
206 1 59 ARG H 1 62 THR MG . . 5.310 4.402 4.005 5.173 . 0 0 "[ . 1 . 2]" 2
207 1 57 PHE HB2 1 59 ARG H . . 4.250 3.982 3.330 4.262 0.012 20 0 "[ . 1 . 2]" 2
208 1 59 ARG H 1 59 ARG HG3 . . 4.720 3.586 2.685 4.748 0.028 17 0 "[ . 1 . 2]" 2
209 1 65 ARG QG 1 66 HIS H . . 4.860 4.070 3.927 4.177 . 0 0 "[ . 1 . 2]" 2
210 1 58 THR HB 1 59 ARG H . . 4.780 3.630 2.563 4.596 . 0 0 "[ . 1 . 2]" 2
211 1 57 PHE HB3 1 59 ARG H . . 3.880 2.816 2.560 3.058 . 0 0 "[ . 1 . 2]" 2
212 1 32 ASP H 1 33 MET H . . 3.550 2.519 2.390 2.647 . 0 0 "[ . 1 . 2]" 2
213 1 33 MET H 1 34 HIS HB3 . . 4.800 4.367 4.260 4.450 . 0 0 "[ . 1 . 2]" 2
214 1 31 LEU HA 1 33 MET H . . 4.960 4.625 4.467 4.773 . 0 0 "[ . 1 . 2]" 2
215 1 33 MET H 1 34 HIS HB2 . . 5.460 5.253 5.100 5.320 . 0 0 "[ . 1 . 2]" 2
216 1 33 MET H 1 33 MET HG3 . . 4.020 2.818 1.963 3.408 . 0 0 "[ . 1 . 2]" 2
217 1 33 MET H 1 33 MET QB . . 3.040 2.546 2.457 2.608 . 0 0 "[ . 1 . 2]" 2
218 1 30 LEU HB3 1 33 MET H . . 5.500 5.475 5.412 5.512 0.012 2 0 "[ . 1 . 2]" 2
219 1 29 GLN QG 1 33 MET H . . 5.380 4.106 3.847 4.511 . 0 0 "[ . 1 . 2]" 2
220 1 35 PHE H 1 36 LYS H . . 3.510 2.805 2.733 2.891 . 0 0 "[ . 1 . 2]" 2
221 1 32 ASP HA 1 36 LYS H . . 4.860 4.626 4.505 4.761 . 0 0 "[ . 1 . 2]" 2
222 1 35 PHE HB2 1 36 LYS H . . 3.740 3.662 3.596 3.737 . 0 0 "[ . 1 . 2]" 2
223 1 35 PHE HB3 1 36 LYS H . . 3.590 2.248 2.155 2.390 . 0 0 "[ . 1 . 2]" 2
224 1 33 MET QB 1 36 LYS H . . 5.350 5.120 4.970 5.209 . 0 0 "[ . 1 . 2]" 2
225 1 36 LYS H 1 36 LYS HB2 . . 3.260 2.248 2.164 2.374 . 0 0 "[ . 1 . 2]" 2
226 1 36 LYS H 1 36 LYS HB3 . . 3.610 3.525 3.469 3.575 . 0 0 "[ . 1 . 2]" 2
227 1 36 LYS H 1 36 LYS HG2 . . 4.230 3.173 2.688 4.254 0.024 17 0 "[ . 1 . 2]" 2
228 1 36 LYS H 1 36 LYS HG3 . . 4.230 3.321 2.567 3.931 . 0 0 "[ . 1 . 2]" 2
229 1 36 LYS H 1 36 LYS QE . . 5.500 4.789 2.736 5.465 . 0 0 "[ . 1 . 2]" 2
230 1 65 ARG H 1 67 ALA H . . 4.920 4.274 4.167 4.418 . 0 0 "[ . 1 . 2]" 2
231 1 64 ALA H 1 65 ARG H . . 3.700 2.977 2.801 3.084 . 0 0 "[ . 1 . 2]" 2
232 1 61 ASN HA 1 65 ARG H . . 4.600 4.131 3.707 4.542 . 0 0 "[ . 1 . 2]" 2
233 1 62 THR HA 1 65 ARG H . . 4.410 3.895 3.554 4.119 . 0 0 "[ . 1 . 2]" 2
234 1 65 ARG H 1 65 ARG QD . . 5.110 3.834 3.218 4.245 . 0 0 "[ . 1 . 2]" 2
235 1 65 ARG H 1 66 HIS HB3 . . 4.940 4.602 4.512 4.687 . 0 0 "[ . 1 . 2]" 2
236 1 65 ARG H 1 65 ARG QB . . 3.090 2.413 2.296 2.506 . 0 0 "[ . 1 . 2]" 2
237 1 65 ARG H 1 65 ARG QG . . 3.520 2.290 2.160 2.483 . 0 0 "[ . 1 . 2]" 2
238 1 64 ALA MB 1 65 ARG H . . 3.410 2.448 2.257 2.627 . 0 0 "[ . 1 . 2]" 2
239 1 63 MET HB3 1 65 ARG H . . 5.270 4.985 4.729 5.179 . 0 0 "[ . 1 . 2]" 2
240 1 65 ARG H 1 67 ALA MB . . 5.130 4.797 4.705 4.974 . 0 0 "[ . 1 . 2]" 2
241 1 65 ARG H 1 66 HIS HB2 . . 5.500 5.432 5.335 5.501 0.001 1 0 "[ . 1 . 2]" 2
242 1 65 ARG HA 1 68 ASP H . . 4.650 3.585 3.426 3.737 . 0 0 "[ . 1 . 2]" 2
243 1 67 ALA H 1 68 ASP H . . 4.100 2.880 2.724 3.029 . 0 0 "[ . 1 . 2]" 2
244 1 68 ASP H 1 68 ASP QB . . 3.350 2.309 2.135 2.611 . 0 0 "[ . 1 . 2]" 2
245 1 30 LEU H 1 32 ASP H . . 4.530 3.831 3.709 4.029 . 0 0 "[ . 1 . 2]" 2
246 1 25 PHE HB3 1 30 LEU H . . 4.820 4.374 4.232 4.603 . 0 0 "[ . 1 . 2]" 2
247 1 28 LYS HA 1 30 LEU H . . 4.760 4.305 3.943 4.683 . 0 0 "[ . 1 . 2]" 2
248 1 25 PHE HB2 1 30 LEU H . . 5.500 4.683 4.503 4.946 . 0 0 "[ . 1 . 2]" 2
249 1 27 GLN HB2 1 30 LEU H . . 3.990 3.217 2.970 3.560 . 0 0 "[ . 1 . 2]" 2
250 1 29 GLN HB2 1 30 LEU H . . 4.040 3.821 3.641 4.008 . 0 0 "[ . 1 . 2]" 2
251 1 29 GLN HB3 1 30 LEU H . . 3.500 2.493 2.265 2.727 . 0 0 "[ . 1 . 2]" 2
252 1 30 LEU H 1 30 LEU HB2 . . 3.850 2.311 2.186 2.641 . 0 0 "[ . 1 . 2]" 2
253 1 30 LEU H 1 30 LEU HG . . 4.040 3.680 1.958 4.086 0.046 19 0 "[ . 1 . 2]" 2
254 1 30 LEU H 1 30 LEU HB3 . . 3.690 3.539 3.497 3.586 . 0 0 "[ . 1 . 2]" 2
255 1 30 LEU H 1 30 LEU MD1 . . 3.880 3.206 2.002 3.643 . 0 0 "[ . 1 . 2]" 2
256 1 25 PHE H 1 25 PHE QE . . 4.650 4.581 4.422 4.656 0.006 14 0 "[ . 1 . 2]" 2
257 1 25 PHE H 1 25 PHE QD . . 3.430 2.573 2.306 2.680 . 0 0 "[ . 1 . 2]" 2
258 1 16 TYR QD 1 25 PHE H . . 4.610 4.330 4.144 4.514 . 0 0 "[ . 1 . 2]" 2
259 1 24 THR HA 1 25 PHE H . . 3.150 2.332 2.280 2.367 . 0 0 "[ . 1 . 2]" 2
260 1 14 LYS HA 1 25 PHE H . . 5.500 4.567 4.292 5.106 . 0 0 "[ . 1 . 2]" 2
261 1 16 TYR HA 1 25 PHE H . . 5.500 4.689 4.628 4.752 . 0 0 "[ . 1 . 2]" 2
262 1 25 PHE H 1 26 ARG HA . . 5.500 4.785 4.670 4.839 . 0 0 "[ . 1 . 2]" 2
263 1 24 THR HB 1 25 PHE H . . 3.410 2.565 2.477 2.706 . 0 0 "[ . 1 . 2]" 2
264 1 25 PHE H 1 25 PHE HB3 . . 3.990 3.957 3.937 3.968 . 0 0 "[ . 1 . 2]" 2
265 1 16 TYR HB3 1 25 PHE H . . 4.670 4.154 3.919 4.314 . 0 0 "[ . 1 . 2]" 2
266 1 25 PHE H 1 25 PHE HB2 . . 3.730 3.015 2.988 3.037 . 0 0 "[ . 1 . 2]" 2
267 1 25 PHE H 1 31 LEU HB3 . . 5.500 5.431 5.241 5.506 0.006 5 0 "[ . 1 . 2]" 2
268 1 14 LYS HB2 1 25 PHE H . . 4.860 3.518 3.260 3.716 . 0 0 "[ . 1 . 2]" 2
269 1 14 LYS HB3 1 25 PHE H . . 4.560 2.274 2.089 2.610 . 0 0 "[ . 1 . 2]" 2
270 1 14 LYS HG2 1 25 PHE H . . 4.950 3.809 3.569 4.149 . 0 0 "[ . 1 . 2]" 2
271 1 25 PHE H 1 31 LEU HB2 . . 5.450 4.089 3.918 4.201 . 0 0 "[ . 1 . 2]" 2
272 1 25 PHE H 1 31 LEU MD2 . . 5.180 4.275 3.940 4.568 . 0 0 "[ . 1 . 2]" 2
273 1 40 ASP HB2 1 42 ASN H . . 4.990 3.986 3.460 4.395 . 0 0 "[ . 1 . 2]" 2
274 1 40 ASP HB3 1 42 ASN H . . 4.990 2.861 2.435 3.450 . 0 0 "[ . 1 . 2]" 2
275 1 41 PRO HD2 1 42 ASN H . . 3.970 3.017 2.889 3.114 . 0 0 "[ . 1 . 2]" 2
276 1 41 PRO HD3 1 42 ASN H . . 4.370 4.038 3.971 4.090 . 0 0 "[ . 1 . 2]" 2
277 1 42 ASN H 1 42 ASN QB . . 3.300 2.345 2.130 2.632 . 0 0 "[ . 1 . 2]" 2
278 1 41 PRO HB2 1 42 ASN H . . 4.670 3.954 3.847 4.024 . 0 0 "[ . 1 . 2]" 2
279 1 41 PRO HG3 1 42 ASN H . . 4.770 4.604 4.452 4.708 . 0 0 "[ . 1 . 2]" 2
280 1 41 PRO HB3 1 42 ASN H . . 4.670 4.499 4.439 4.537 . 0 0 "[ . 1 . 2]" 2
281 1 41 PRO HG2 1 42 ASN H . . 4.590 3.329 3.130 3.464 . 0 0 "[ . 1 . 2]" 2
282 1 50 CYS HA 1 53 CYS H . . 5.120 5.010 4.609 5.190 0.070 20 0 "[ . 1 . 2]" 2
283 1 53 CYS H 1 55 LYS H . . 4.260 3.857 3.768 3.976 . 0 0 "[ . 1 . 2]" 2
284 1 53 CYS H 1 54 GLY HA2 . . 4.970 4.298 4.185 4.408 . 0 0 "[ . 1 . 2]" 2
285 1 53 CYS H 1 54 GLY HA3 . . 4.970 4.748 4.654 4.838 . 0 0 "[ . 1 . 2]" 2
286 1 50 CYS HB3 1 53 CYS H . . 4.030 2.824 2.547 3.036 . 0 0 "[ . 1 . 2]" 2
287 1 53 CYS H 1 53 CYS HB2 . . 4.100 3.713 3.676 3.757 . 0 0 "[ . 1 . 2]" 2
288 1 53 CYS H 1 53 CYS HB3 . . 3.900 2.965 2.851 3.079 . 0 0 "[ . 1 . 2]" 2
289 1 52 LYS HB2 1 53 CYS H . . 4.000 2.475 2.213 2.769 . 0 0 "[ . 1 . 2]" 2
290 1 52 LYS HB3 1 53 CYS H . . 4.000 3.382 3.083 3.662 . 0 0 "[ . 1 . 2]" 2
291 1 52 LYS HG2 1 53 CYS H . . 4.980 4.878 4.653 5.027 0.047 20 0 "[ . 1 . 2]" 2
292 1 52 LYS HG3 1 53 CYS H . . 4.980 4.364 4.024 4.738 . 0 0 "[ . 1 . 2]" 2
293 1 50 CYS HB2 1 53 CYS H . . 4.430 4.257 4.142 4.312 . 0 0 "[ . 1 . 2]" 2
294 1 21 CYS HB2 1 22 ASP H . . 3.600 2.109 2.006 2.173 . 0 0 "[ . 1 . 2]" 2
295 1 22 ASP H 1 22 ASP HB3 . . 4.150 2.774 2.460 3.516 . 0 0 "[ . 1 . 2]" 2
296 1 59 ARG HB2 1 62 THR H . . 5.140 3.403 2.669 4.557 . 0 0 "[ . 1 . 2]" 2
297 1 70 CYS HA 1 71 ALA H . . 3.340 2.262 2.157 2.380 . 0 0 "[ . 1 . 2]" 2
298 1 71 ALA H 1 71 ALA MB . . 3.580 2.435 2.152 2.557 . 0 0 "[ . 1 . 2]" 2
299 1 59 ARG HB3 1 62 THR H . . 5.140 3.058 2.203 4.578 . 0 0 "[ . 1 . 2]" 2
300 1 61 ASN QB 1 62 THR H . . 5.130 2.470 2.133 3.322 . 0 0 "[ . 1 . 2]" 2
301 1 42 ASN H 1 42 ASN HD21 . . 4.960 3.321 2.114 4.393 . 0 0 "[ . 1 . 2]" 2
302 1 41 PRO HG2 1 42 ASN HD21 . . 5.380 4.502 2.817 5.301 . 0 0 "[ . 1 . 2]" 2
303 1 42 ASN H 1 42 ASN HD22 . . 4.960 4.111 3.563 4.558 . 0 0 "[ . 1 . 2]" 2
304 1 41 PRO HG2 1 42 ASN HD22 . . 5.380 4.413 3.664 5.126 . 0 0 "[ . 1 . 2]" 2
305 1 36 LYS H 1 37 ARG H . . 3.480 2.653 2.558 2.692 . 0 0 "[ . 1 . 2]" 2
306 1 37 ARG H 1 39 HIS H . . 4.450 4.083 3.985 4.134 . 0 0 "[ . 1 . 2]" 2
307 1 37 ARG H 1 38 TYR QD . . 4.410 4.103 3.929 4.194 . 0 0 "[ . 1 . 2]" 2
308 1 34 HIS HA 1 37 ARG H . . 4.220 3.659 3.483 3.755 . 0 0 "[ . 1 . 2]" 2
309 1 37 ARG H 1 38 TYR HB2 . . 5.150 4.482 4.411 4.561 . 0 0 "[ . 1 . 2]" 2
310 1 36 LYS HB2 1 37 ARG H . . 3.900 3.478 3.423 3.566 . 0 0 "[ . 1 . 2]" 2
311 1 36 LYS HB3 1 37 ARG H . . 4.270 4.003 3.899 4.143 . 0 0 "[ . 1 . 2]" 2
312 1 37 ARG H 1 37 ARG HB2 . . 3.260 2.905 2.774 3.087 . 0 0 "[ . 1 . 2]" 2
313 1 37 ARG H 1 37 ARG HB3 . . 3.350 2.426 2.318 2.536 . 0 0 "[ . 1 . 2]" 2
314 1 37 ARG H 1 37 ARG HG2 . . 4.850 4.331 4.198 4.430 . 0 0 "[ . 1 . 2]" 2
315 1 38 TYR QD 1 39 HIS H . . 4.530 4.161 4.120 4.194 . 0 0 "[ . 1 . 2]" 2
316 1 39 HIS H 1 39 HIS HD2 . . 4.290 3.419 3.355 3.465 . 0 0 "[ . 1 . 2]" 2
317 1 35 PHE HA 1 39 HIS H . . 3.830 3.005 2.839 3.226 . 0 0 "[ . 1 . 2]" 2
318 1 39 HIS H 1 39 HIS HB2 . . 3.850 2.537 2.499 2.592 . 0 0 "[ . 1 . 2]" 2
319 1 38 TYR HB2 1 39 HIS H . . 4.210 2.235 2.195 2.289 . 0 0 "[ . 1 . 2]" 2
320 1 39 HIS H 1 39 HIS HB3 . . 3.850 3.591 3.590 3.592 . 0 0 "[ . 1 . 2]" 2
321 1 38 TYR HB3 1 39 HIS H . . 4.020 2.883 2.826 2.957 . 0 0 "[ . 1 . 2]" 2
322 1 37 ARG H 1 37 ARG QD . . 4.630 4.514 4.388 4.772 0.142 15 0 "[ . 1 . 2]" 2
323 1 69 ASN H 1 69 ASN HB2 . . 3.980 2.518 2.193 3.590 . 0 0 "[ . 1 . 2]" 2
324 1 68 ASP QB 1 69 ASN H . . 3.690 2.321 2.177 2.635 . 0 0 "[ . 1 . 2]" 2
325 1 69 ASN H 1 69 ASN HB3 . . 3.980 3.559 2.913 3.650 . 0 0 "[ . 1 . 2]" 2
326 1 69 ASN H 1 70 CYS HB2 . . 4.930 4.595 4.329 4.814 . 0 0 "[ . 1 . 2]" 2
327 1 67 ALA MB 1 69 ASN H . . 4.900 4.725 4.545 4.829 . 0 0 "[ . 1 . 2]" 2
328 1 66 HIS HA 1 69 ASN H . . 4.820 3.581 3.354 3.760 . 0 0 "[ . 1 . 2]" 2
329 1 67 ALA HA 1 69 ASN H . . 4.770 4.666 4.374 4.766 . 0 0 "[ . 1 . 2]" 2
330 1 68 ASP QB 1 69 ASN HD21 . . 4.930 3.818 2.367 4.876 . 0 0 "[ . 1 . 2]" 2
331 1 68 ASP QB 1 69 ASN HD22 . . 4.930 3.946 3.104 4.514 . 0 0 "[ . 1 . 2]" 2
332 1 52 LYS H 1 54 GLY H . . 4.050 3.685 3.478 3.881 . 0 0 "[ . 1 . 2]" 2
333 1 50 CYS HB3 1 54 GLY H . . 3.930 1.891 1.849 1.951 . 0 0 "[ . 1 . 2]" 2
334 1 53 CYS HB2 1 54 GLY H . . 4.790 3.599 3.499 3.700 . 0 0 "[ . 1 . 2]" 2
335 1 50 CYS HB2 1 54 GLY H . . 4.420 3.530 3.352 3.688 . 0 0 "[ . 1 . 2]" 2
336 1 53 CYS HB3 1 54 GLY H . . 5.000 3.851 3.800 3.923 . 0 0 "[ . 1 . 2]" 2
337 1 54 GLY H 1 55 LYS HB2 . . 5.100 3.884 3.787 3.980 . 0 0 "[ . 1 . 2]" 2
338 1 56 THR H 1 57 PHE H . . 4.660 4.493 4.415 4.543 . 0 0 "[ . 1 . 2]" 2
339 1 55 LYS HA 1 56 THR H . . 2.780 2.405 2.182 2.625 . 0 0 "[ . 1 . 2]" 2
340 1 56 THR H 1 56 THR HB . . 3.810 3.646 3.592 3.747 . 0 0 "[ . 1 . 2]" 2
341 1 55 LYS HB2 1 56 THR H . . 4.540 3.899 3.454 4.306 . 0 0 "[ . 1 . 2]" 2
342 1 55 LYS HB3 1 56 THR H . . 3.690 2.667 2.007 3.700 0.010 2 0 "[ . 1 . 2]" 2
343 1 55 LYS HG3 1 56 THR H . . 4.510 4.109 2.750 4.516 0.006 7 0 "[ . 1 . 2]" 2
344 1 50 CYS H 1 55 LYS H . . 4.010 3.105 2.826 3.393 . 0 0 "[ . 1 . 2]" 2
345 1 50 CYS H 1 54 GLY H . . 4.610 4.154 3.917 4.351 . 0 0 "[ . 1 . 2]" 2
346 1 50 CYS H 1 57 PHE QD . . 4.290 3.059 2.689 3.469 . 0 0 "[ . 1 . 2]" 2
347 1 50 CYS H 1 66 HIS HD2 . . 5.450 5.030 4.253 5.317 . 0 0 "[ . 1 . 2]" 2
348 1 50 CYS H 1 57 PHE QE . . 4.070 3.301 2.858 3.719 . 0 0 "[ . 1 . 2]" 2
349 1 50 CYS H 1 56 THR HA . . 4.020 3.694 3.543 3.824 . 0 0 "[ . 1 . 2]" 2
350 1 50 CYS H 1 55 LYS HA . . 5.320 4.542 4.429 4.644 . 0 0 "[ . 1 . 2]" 2
351 1 50 CYS H 1 50 CYS HB3 . . 3.340 2.799 2.637 2.943 . 0 0 "[ . 1 . 2]" 2
352 1 50 CYS H 1 50 CYS HB2 . . 3.440 2.305 2.184 2.426 . 0 0 "[ . 1 . 2]" 2
353 1 50 CYS H 1 63 MET QG . . 4.910 3.516 3.077 3.882 . 0 0 "[ . 1 . 2]" 2
354 1 49 VAL HB 1 50 CYS H . . 4.430 4.149 4.056 4.245 . 0 0 "[ . 1 . 2]" 2
355 1 50 CYS H 1 55 LYS HB2 . . 5.190 3.997 3.606 4.671 . 0 0 "[ . 1 . 2]" 2
356 1 50 CYS H 1 55 LYS HB3 . . 5.120 4.285 3.715 4.595 . 0 0 "[ . 1 . 2]" 2
357 1 49 VAL MG2 1 50 CYS H . . 4.030 3.428 2.074 3.785 . 0 0 "[ . 1 . 2]" 2
358 1 37 ARG H 1 38 TYR H . . 3.350 2.509 2.488 2.533 . 0 0 "[ . 1 . 2]" 2
359 1 38 TYR H 1 38 TYR QD . . 3.550 2.119 1.936 2.216 . 0 0 "[ . 1 . 2]" 2
360 1 38 TYR H 1 38 TYR QE . . 4.540 4.456 4.286 4.551 0.011 8 0 "[ . 1 . 2]" 2
361 1 34 HIS HA 1 38 TYR H . . 4.650 3.606 3.200 3.735 . 0 0 "[ . 1 . 2]" 2
362 1 35 PHE HA 1 38 TYR H . . 4.220 3.804 3.720 3.989 . 0 0 "[ . 1 . 2]" 2
363 1 38 TYR H 1 38 TYR HB2 . . 3.640 2.291 2.270 2.322 . 0 0 "[ . 1 . 2]" 2
364 1 37 ARG HB2 1 38 TYR H . . 3.950 3.681 3.596 3.751 . 0 0 "[ . 1 . 2]" 2
365 1 38 TYR H 1 38 TYR HB3 . . 3.630 3.556 3.547 3.571 . 0 0 "[ . 1 . 2]" 2
366 1 37 ARG HG2 1 38 TYR H . . 4.890 3.085 2.747 3.437 . 0 0 "[ . 1 . 2]" 2
367 1 37 ARG HG3 1 38 TYR H . . 4.890 4.201 3.559 4.539 . 0 0 "[ . 1 . 2]" 2
368 1 38 TYR H 1 39 HIS HD2 . . 5.370 5.297 5.198 5.397 0.027 16 0 "[ . 1 . 2]" 2
369 1 37 ARG QD 1 38 TYR H . . 5.190 3.978 3.246 4.756 . 0 0 "[ . 1 . 2]" 2
370 1 25 PHE HB3 1 27 GLN H . . 3.690 3.423 2.746 3.661 . 0 0 "[ . 1 . 2]" 2
371 1 27 GLN H 1 27 GLN HG2 . . 4.700 3.527 2.711 4.418 . 0 0 "[ . 1 . 2]" 2
372 1 27 GLN H 1 27 GLN HB2 . . 3.920 2.422 2.305 2.590 . 0 0 "[ . 1 . 2]" 2
373 1 26 ARG HB2 1 27 GLN H . . 4.340 3.297 2.206 4.285 . 0 0 "[ . 1 . 2]" 2
374 1 26 ARG HB3 1 27 GLN H . . 4.340 3.462 2.163 4.173 . 0 0 "[ . 1 . 2]" 2
375 1 27 GLN H 1 30 LEU HB2 . . 4.320 3.260 3.046 3.603 . 0 0 "[ . 1 . 2]" 2
376 1 27 GLN H 1 30 LEU HB3 . . 5.100 4.689 4.402 5.006 . 0 0 "[ . 1 . 2]" 2
377 1 16 TYR QD 1 28 LYS H . . 5.100 3.982 3.814 4.168 . 0 0 "[ . 1 . 2]" 2
378 1 27 GLN H 1 28 LYS H . . 5.500 4.472 4.197 4.553 . 0 0 "[ . 1 . 2]" 2
379 1 27 GLN HB2 1 28 LYS H . . 4.680 4.172 3.772 4.507 . 0 0 "[ . 1 . 2]" 2
380 1 28 LYS H 1 28 LYS HB2 . . 4.070 2.829 2.273 3.601 . 0 0 "[ . 1 . 2]" 2
381 1 28 LYS H 1 28 LYS HB3 . . 4.070 2.543 2.406 2.867 . 0 0 "[ . 1 . 2]" 2
382 1 17 ALA H 1 25 PHE H . . 5.060 4.881 4.775 5.018 . 0 0 "[ . 1 . 2]" 2
383 1 16 TYR H 1 17 ALA H . . 4.420 4.263 4.189 4.384 . 0 0 "[ . 1 . 2]" 2
384 1 16 TYR HA 1 17 ALA H . . 2.860 2.179 2.144 2.194 . 0 0 "[ . 1 . 2]" 2
385 1 15 PRO HA 1 17 ALA H . . 5.450 5.099 4.995 5.395 . 0 0 "[ . 1 . 2]" 2
386 1 16 TYR HB3 1 17 ALA H . . 4.030 3.822 3.627 3.888 . 0 0 "[ . 1 . 2]" 2
387 1 16 TYR HB2 1 17 ALA H . . 4.640 4.393 4.362 4.424 . 0 0 "[ . 1 . 2]" 2
388 1 17 ALA H 1 17 ALA MB . . 3.050 2.332 2.251 2.447 . 0 0 "[ . 1 . 2]" 2
389 1 17 ALA H 1 24 THR MG . . 4.650 4.359 4.225 4.443 . 0 0 "[ . 1 . 2]" 2
390 1 17 ALA H 1 31 LEU MD2 . . 4.180 3.387 3.150 3.623 . 0 0 "[ . 1 . 2]" 2
391 1 17 ALA H 1 24 THR HB . . 5.500 5.398 5.243 5.504 0.004 7 0 "[ . 1 . 2]" 2
392 1 17 ALA H 1 24 THR HA . . 4.810 4.641 4.546 4.756 . 0 0 "[ . 1 . 2]" 2
393 1 24 THR H 1 25 PHE H . . 4.750 4.451 4.409 4.484 . 0 0 "[ . 1 . 2]" 2
394 1 23 LYS H 1 24 THR H . . 4.870 4.534 4.495 4.594 . 0 0 "[ . 1 . 2]" 2
395 1 24 THR H 1 25 PHE QE . . 5.000 4.159 3.851 4.329 . 0 0 "[ . 1 . 2]" 2
396 1 23 LYS HA 1 24 THR H . . 2.850 2.299 2.229 2.373 . 0 0 "[ . 1 . 2]" 2
397 1 23 LYS HB2 1 24 THR H . . 4.080 3.930 3.728 4.082 0.002 10 0 "[ . 1 . 2]" 2
398 1 23 LYS HB3 1 24 THR H . . 4.080 2.709 2.497 2.927 . 0 0 "[ . 1 . 2]" 2
399 1 24 THR H 1 24 THR MG . . 3.610 3.047 2.923 3.246 . 0 0 "[ . 1 . 2]" 2
400 1 43 PHE QD 1 44 VAL H . . 3.900 2.788 2.503 3.067 . 0 0 "[ . 1 . 2]" 2
401 1 43 PHE HA 1 44 VAL H . . 2.820 2.174 2.144 2.237 . 0 0 "[ . 1 . 2]" 2
402 1 44 VAL H 1 45 PRO QD . . 4.400 3.916 3.609 4.056 . 0 0 "[ . 1 . 2]" 2
403 1 43 PHE HB2 1 44 VAL H . . 4.310 4.246 4.089 4.333 0.023 9 0 "[ . 1 . 2]" 2
404 1 43 PHE HB3 1 44 VAL H . . 4.310 4.031 3.792 4.166 . 0 0 "[ . 1 . 2]" 2
405 1 44 VAL H 1 44 VAL MG1 . . 3.300 2.178 1.991 2.369 . 0 0 "[ . 1 . 2]" 2
406 1 72 GLY H 1 73 PRO QD . . 4.410 4.328 4.308 4.352 . 0 0 "[ . 1 . 2]" 2
407 1 53 CYS HB2 1 72 GLY H . . 5.500 5.097 4.561 5.497 . 0 0 "[ . 1 . 2]" 2
408 1 70 CYS HB3 1 72 GLY H . . 5.150 4.835 3.753 5.148 . 0 0 "[ . 1 . 2]" 2
409 1 53 CYS HB3 1 72 GLY H . . 4.480 3.559 3.159 3.848 . 0 0 "[ . 1 . 2]" 2
410 1 70 CYS HB2 1 72 GLY H . . 5.500 5.176 4.570 5.506 0.006 20 0 "[ . 1 . 2]" 2
411 1 71 ALA MB 1 72 GLY H . . 3.970 2.788 2.425 3.701 . 0 0 "[ . 1 . 2]" 2
412 1 70 CYS HA 1 72 GLY H . . 4.260 4.101 3.810 4.272 0.012 12 0 "[ . 1 . 2]" 2
413 1 19 SER H 1 20 HIS H . . 4.190 2.346 2.165 2.539 . 0 0 "[ . 1 . 2]" 2
414 1 20 HIS H 1 20 HIS HB2 . . 3.950 2.323 2.191 2.449 . 0 0 "[ . 1 . 2]" 2
415 1 20 HIS H 1 20 HIS HB3 . . 3.950 3.555 3.499 3.622 . 0 0 "[ . 1 . 2]" 2
416 1 18 CYS HB3 1 20 HIS H . . 4.710 4.253 3.408 4.506 . 0 0 "[ . 1 . 2]" 2
417 1 20 HIS H 1 21 CYS HA . . 5.500 5.282 4.865 5.382 . 0 0 "[ . 1 . 2]" 2
418 1 18 CYS H 1 25 PHE H . . 4.980 4.761 4.638 4.979 . 0 0 "[ . 1 . 2]" 2
419 1 30 LEU H 1 31 LEU H . . 3.360 2.806 2.681 2.928 . 0 0 "[ . 1 . 2]" 2
420 1 25 PHE QD 1 31 LEU H . . 4.450 3.779 3.549 3.887 . 0 0 "[ . 1 . 2]" 2
421 1 33 MET H 1 36 LYS H . . 5.360 5.162 5.091 5.240 . 0 0 "[ . 1 . 2]" 2
422 1 34 HIS H 1 36 LYS H . . 4.730 4.482 4.319 4.752 0.022 16 0 "[ . 1 . 2]" 2
423 1 35 PHE QD 1 36 LYS H . . 3.680 2.972 2.723 3.152 . 0 0 "[ . 1 . 2]" 2
424 1 36 LYS H 1 43 PHE QD . . 5.500 5.332 5.074 5.489 . 0 0 "[ . 1 . 2]" 2
425 1 38 TYR H 1 39 HIS H . . 3.300 2.807 2.753 2.897 . 0 0 "[ . 1 . 2]" 2
426 1 44 VAL MG2 1 47 ALA H . . 4.800 4.642 4.469 4.788 . 0 0 "[ . 1 . 2]" 2
427 1 49 VAL H 1 50 CYS H . . 4.600 4.507 4.443 4.560 . 0 0 "[ . 1 . 2]" 2
428 1 50 CYS H 1 57 PHE H . . 4.960 4.679 4.402 4.960 . 0 0 "[ . 1 . 2]" 2
429 1 68 ASP H 1 69 ASN H . . 3.540 2.940 2.827 3.095 . 0 0 "[ . 1 . 2]" 2
430 1 74 ASP H 1 75 GLY H . . 4.410 3.472 2.164 4.419 0.009 6 0 "[ . 1 . 2]" 2
431 1 75 GLY H 1 76 VAL H . . 4.720 4.114 2.524 4.635 . 0 0 "[ . 1 . 2]" 2
432 1 18 CYS HB2 1 19 SER H . . 5.170 4.122 3.981 4.255 . 0 0 "[ . 1 . 2]" 2
433 1 18 CYS HB3 1 19 SER H . . 4.970 3.727 3.638 3.828 . 0 0 "[ . 1 . 2]" 2
434 1 21 CYS H 1 22 ASP H . . 4.450 4.416 4.389 4.451 0.001 17 0 "[ . 1 . 2]" 2
435 1 21 CYS H 1 21 CYS HB2 . . 3.950 3.809 3.764 3.866 . 0 0 "[ . 1 . 2]" 2
436 1 65 ARG H 1 66 HIS H . . 3.610 2.708 2.620 2.807 . 0 0 "[ . 1 . 2]" 2
437 1 39 HIS H 1 40 ASP H . . 3.090 2.710 2.684 2.725 . 0 0 "[ . 1 . 2]" 2
438 1 48 PHE H 1 49 VAL H . . 4.580 4.108 3.901 4.405 . 0 0 "[ . 1 . 2]" 2
439 1 71 ALA H 1 72 GLY H . . 3.870 2.126 1.831 2.849 . 0 0 "[ . 1 . 2]" 2
440 1 67 ALA HA 1 70 CYS H . . 3.790 3.282 3.118 3.404 . 0 0 "[ . 1 . 2]" 2
441 1 12 GLY QA 1 13 GLU QG . . 5.430 4.472 3.445 5.417 . 0 0 "[ . 1 . 2]" 2
442 1 77 GLU QG 1 78 GLY QA . . 5.500 4.389 3.022 5.447 . 0 0 "[ . 1 . 2]" 2
443 1 78 GLY QA 1 79 GLU QG . . 5.500 4.412 3.402 5.441 . 0 0 "[ . 1 . 2]" 2
444 1 25 PHE HB3 1 30 LEU HB2 . . 3.900 2.180 1.984 2.362 . 0 0 "[ . 1 . 2]" 2
445 1 25 PHE HB3 1 30 LEU MD2 . . 4.750 3.614 2.509 4.591 . 0 0 "[ . 1 . 2]" 2
446 1 16 TYR H 1 25 PHE HB2 . . 5.230 4.866 4.652 5.191 . 0 0 "[ . 1 . 2]" 2
447 1 25 PHE HB2 1 27 GLN H . . 4.130 3.948 3.177 4.177 0.047 11 0 "[ . 1 . 2]" 2
448 1 24 THR HA 1 25 PHE HB2 . . 5.030 4.693 4.657 4.729 . 0 0 "[ . 1 . 2]" 2
449 1 25 PHE HB2 1 26 ARG HA . . 5.230 4.973 4.876 5.103 . 0 0 "[ . 1 . 2]" 2
450 1 16 TYR HB3 1 25 PHE HB2 . . 4.440 3.764 3.743 3.790 . 0 0 "[ . 1 . 2]" 2
451 1 25 PHE HB2 1 30 LEU HB3 . . 4.490 3.697 3.351 4.481 . 0 0 "[ . 1 . 2]" 2
452 1 25 PHE HB2 1 31 LEU HB2 . . 4.170 2.531 2.319 2.757 . 0 0 "[ . 1 . 2]" 2
453 1 25 PHE HB2 1 31 LEU MD2 . . 4.760 3.993 3.687 4.219 . 0 0 "[ . 1 . 2]" 2
454 1 25 PHE HB3 1 31 LEU H . . 4.260 3.369 3.145 3.514 . 0 0 "[ . 1 . 2]" 2
455 1 25 PHE HB3 1 30 LEU HB3 . . 4.240 2.481 2.183 3.121 . 0 0 "[ . 1 . 2]" 2
456 1 25 PHE HB2 1 31 LEU H . . 4.250 2.881 2.755 2.990 . 0 0 "[ . 1 . 2]" 2
457 1 25 PHE HB2 1 30 LEU HB2 . . 4.320 3.049 2.736 3.273 . 0 0 "[ . 1 . 2]" 2
458 1 72 GLY HA3 1 73 PRO QG . . 4.900 3.952 3.880 4.035 . 0 0 "[ . 1 . 2]" 2
459 1 53 CYS HA 1 72 GLY HA2 . . 5.050 3.001 2.619 3.456 . 0 0 "[ . 1 . 2]" 2
460 1 72 GLY HA2 1 73 PRO QG . . 4.690 4.395 4.282 4.507 . 0 0 "[ . 1 . 2]" 2
461 1 57 PHE HB3 1 63 MET HA . . 4.890 3.937 3.469 4.303 . 0 0 "[ . 1 . 2]" 2
462 1 57 PHE HB3 1 63 MET HB3 . . 4.700 4.390 4.056 4.705 0.005 3 0 "[ . 1 . 2]" 2
463 1 48 PHE HB2 1 57 PHE HB3 . . 4.390 3.898 3.544 4.092 . 0 0 "[ . 1 . 2]" 2
464 1 48 PHE HB2 1 57 PHE HB2 . . 4.080 2.809 2.499 3.027 . 0 0 "[ . 1 . 2]" 2
465 1 57 PHE HB2 1 63 MET HB2 . . 4.200 2.222 2.039 2.515 . 0 0 "[ . 1 . 2]" 2
466 1 56 THR HA 1 57 PHE HB2 . . 5.080 4.429 4.390 4.496 . 0 0 "[ . 1 . 2]" 2
467 1 57 PHE HB3 1 63 MET HB2 . . 4.440 2.690 2.335 2.971 . 0 0 "[ . 1 . 2]" 2
468 1 57 PHE HB2 1 63 MET HB3 . . 4.640 3.779 3.625 4.073 . 0 0 "[ . 1 . 2]" 2
469 1 26 ARG HA 1 26 ARG QD . . 4.240 4.113 3.720 4.341 0.101 20 0 "[ . 1 . 2]" 2
470 1 26 ARG QD 1 27 GLN HB2 . . 5.500 4.708 2.036 5.509 0.009 9 0 "[ . 1 . 2]" 2
471 1 26 ARG HB2 1 26 ARG QD . . 3.860 2.547 2.065 3.080 . 0 0 "[ . 1 . 2]" 2
472 1 14 LYS HG2 1 26 ARG QD . . 5.500 4.533 3.842 5.385 . 0 0 "[ . 1 . 2]" 2
473 1 26 ARG QD 1 27 GLN H . . 5.240 3.909 2.409 4.482 . 0 0 "[ . 1 . 2]" 2
474 1 65 ARG HA 1 65 ARG QD . . 4.470 4.008 3.655 4.197 . 0 0 "[ . 1 . 2]" 2
475 1 62 THR MG 1 65 ARG QD . . 5.500 4.492 3.869 5.371 . 0 0 "[ . 1 . 2]" 2
476 1 64 ALA MB 1 65 ARG QD . . 5.500 4.806 4.252 5.208 . 0 0 "[ . 1 . 2]" 2
477 1 48 PHE QE 1 60 ARG QD . . 4.500 3.481 1.860 4.468 . 0 0 "[ . 1 . 2]" 2
478 1 48 PHE QD 1 60 ARG QD . . 5.060 3.976 2.253 4.776 . 0 0 "[ . 1 . 2]" 2
479 1 60 ARG QD 1 63 MET ME . . 4.760 4.344 3.380 4.773 0.013 18 0 "[ . 1 . 2]" 2
480 1 37 ARG QD 1 38 TYR QD . . 4.940 2.873 1.952 4.010 . 0 0 "[ . 1 . 2]" 2
481 1 33 MET QB 1 37 ARG QD . . 5.500 4.396 3.704 5.434 . 0 0 "[ . 1 . 2]" 2
482 1 40 ASP HB2 1 43 PHE H . . 5.390 4.447 3.639 5.116 . 0 0 "[ . 1 . 2]" 2
483 1 36 LYS QE 1 43 PHE QD . . 5.440 4.417 3.392 5.441 0.001 12 0 "[ . 1 . 2]" 2
484 1 52 LYS QE 1 70 CYS H . . 5.500 4.403 3.948 5.305 . 0 0 "[ . 1 . 2]" 2
485 1 52 LYS HA 1 52 LYS QE . . 4.780 4.463 3.380 4.740 . 0 0 "[ . 1 . 2]" 2
486 1 52 LYS QE 1 67 ALA HA . . 5.340 4.094 3.428 4.930 . 0 0 "[ . 1 . 2]" 2
487 1 52 LYS HB2 1 52 LYS QE . . 5.110 3.976 3.301 4.198 . 0 0 "[ . 1 . 2]" 2
488 1 40 ASP HB3 1 43 PHE H . . 5.390 3.546 3.210 3.862 . 0 0 "[ . 1 . 2]" 2
489 1 40 ASP H 1 40 ASP HB3 . . 3.850 3.436 2.870 3.893 0.043 3 0 "[ . 1 . 2]" 2
490 1 35 PHE QE 1 40 ASP HB3 . . 5.500 5.275 4.893 5.505 0.005 4 0 "[ . 1 . 2]" 2
491 1 28 LYS QE 1 28 LYS HG3 . . 3.730 2.653 2.129 3.504 . 0 0 "[ . 1 . 2]" 2
492 1 28 LYS QE 1 28 LYS HG2 . . 3.730 2.505 2.262 2.911 . 0 0 "[ . 1 . 2]" 2
493 1 14 LYS HA 1 14 LYS QE . . 5.010 4.687 4.527 4.891 . 0 0 "[ . 1 . 2]" 2
494 1 14 LYS QE 1 26 ARG HA . . 5.500 4.649 3.786 5.113 . 0 0 "[ . 1 . 2]" 2
495 1 14 LYS QE 1 14 LYS HG3 . . 3.760 2.572 2.194 3.221 . 0 0 "[ . 1 . 2]" 2
496 1 14 LYS QE 1 14 LYS HG2 . . 3.840 2.413 2.106 2.757 . 0 0 "[ . 1 . 2]" 2
497 1 27 GLN HB2 1 30 LEU HB2 . . 5.020 3.667 3.159 4.166 . 0 0 "[ . 1 . 2]" 2
498 1 25 PHE QE 1 30 LEU HB3 . . 4.730 3.779 3.656 3.999 . 0 0 "[ . 1 . 2]" 2
499 1 27 GLN HB2 1 30 LEU HB3 . . 5.330 5.162 4.680 5.415 0.085 8 0 "[ . 1 . 2]" 2
500 1 68 ASP QB 1 69 ASN HA . . 5.140 4.035 3.832 4.546 . 0 0 "[ . 1 . 2]" 2
501 1 67 ALA MB 1 68 ASP QB . . 5.010 4.127 3.822 4.469 . 0 0 "[ . 1 . 2]" 2
502 1 48 PHE HB3 1 57 PHE HB2 . . 4.150 3.803 3.496 4.020 . 0 0 "[ . 1 . 2]" 2
503 1 22 ASP H 1 22 ASP HB2 . . 4.140 2.633 2.252 2.973 . 0 0 "[ . 1 . 2]" 2
504 1 21 CYS HB2 1 22 ASP HB2 . . 5.210 4.699 4.272 5.043 . 0 0 "[ . 1 . 2]" 2
505 1 21 CYS HA 1 22 ASP HB2 . . 5.290 4.350 4.254 4.539 . 0 0 "[ . 1 . 2]" 2
506 1 67 ALA H 1 68 ASP QB . . 5.330 4.662 4.453 4.978 . 0 0 "[ . 1 . 2]" 2
507 1 48 PHE HB3 1 57 PHE HB3 . . 5.500 5.139 4.756 5.381 . 0 0 "[ . 1 . 2]" 2
508 1 48 PHE HB3 1 63 MET HB2 . . 4.550 3.548 3.155 3.814 . 0 0 "[ . 1 . 2]" 2
509 1 48 PHE HB2 1 63 MET HB2 . . 4.580 3.218 2.843 3.579 . 0 0 "[ . 1 . 2]" 2
510 1 36 LYS HA 1 43 PHE HB2 . . 4.630 4.302 4.126 4.414 . 0 0 "[ . 1 . 2]" 2
511 1 36 LYS HA 1 43 PHE HB3 . . 4.630 4.429 4.115 4.655 0.025 16 0 "[ . 1 . 2]" 2
512 1 36 LYS HB2 1 43 PHE HB3 . . 4.960 3.725 3.310 4.099 . 0 0 "[ . 1 . 2]" 2
513 1 57 PHE HZ 1 66 HIS HE1 . . 4.780 3.686 3.199 4.016 . 0 0 "[ . 1 . 2]" 2
514 1 66 HIS HE1 1 70 CYS HB2 . . 4.710 3.434 3.055 3.808 . 0 0 "[ . 1 . 2]" 2
515 1 55 LYS HD3 1 66 HIS HE1 . . 4.610 3.911 2.979 4.567 . 0 0 "[ . 1 . 2]" 2
516 1 55 LYS HB2 1 66 HIS HE1 . . 5.410 4.869 4.401 5.328 . 0 0 "[ . 1 . 2]" 2
517 1 35 PHE HB2 1 36 LYS HA . . 5.500 5.569 5.553 5.597 0.097 17 0 "[ . 1 . 2]" 2
518 1 31 LEU MD1 1 35 PHE HB2 . . 4.670 3.347 3.088 3.573 . 0 0 "[ . 1 . 2]" 2
519 1 35 PHE HB3 1 36 LYS HA . . 5.320 4.201 4.131 4.280 . 0 0 "[ . 1 . 2]" 2
520 1 31 LEU HG 1 35 PHE HB3 . . 5.500 5.481 5.387 5.515 0.015 18 0 "[ . 1 . 2]" 2
521 1 35 PHE HB3 1 36 LYS HB3 . . 5.500 5.503 5.426 5.531 0.031 12 0 "[ . 1 . 2]" 2
522 1 31 LEU H 1 32 ASP HB3 . . 5.310 5.111 4.983 5.223 . 0 0 "[ . 1 . 2]" 2
523 1 32 ASP HB3 1 33 MET QB . . 4.800 3.859 3.792 3.941 . 0 0 "[ . 1 . 2]" 2
524 1 32 ASP H 1 32 ASP HB3 . . 3.770 2.700 2.604 2.783 . 0 0 "[ . 1 . 2]" 2
525 1 32 ASP HB3 1 33 MET H . . 4.000 2.470 2.337 2.614 . 0 0 "[ . 1 . 2]" 2
526 1 32 ASP H 1 32 ASP HB2 . . 3.640 2.443 2.348 2.545 . 0 0 "[ . 1 . 2]" 2
527 1 32 ASP HB2 1 33 MET H . . 3.920 3.655 3.565 3.747 . 0 0 "[ . 1 . 2]" 2
528 1 31 LEU H 1 32 ASP HB2 . . 5.320 4.687 4.524 4.831 . 0 0 "[ . 1 . 2]" 2
529 1 29 GLN HA 1 32 ASP HB2 . . 3.670 2.972 2.810 3.116 . 0 0 "[ . 1 . 2]" 2
530 1 29 GLN HB2 1 32 ASP HB2 . . 5.500 5.353 5.230 5.508 0.008 6 0 "[ . 1 . 2]" 2
531 1 32 ASP HB2 1 33 MET QB . . 5.500 5.401 5.301 5.520 0.020 18 0 "[ . 1 . 2]" 2
532 1 16 TYR QD 1 31 LEU HB3 . . 5.120 4.014 3.789 4.305 . 0 0 "[ . 1 . 2]" 2
533 1 25 PHE QD 1 31 LEU HB3 . . 4.620 3.713 3.651 3.844 . 0 0 "[ . 1 . 2]" 2
534 1 31 LEU H 1 31 LEU HB3 . . 3.650 2.283 2.216 2.330 . 0 0 "[ . 1 . 2]" 2
535 1 30 LEU H 1 31 LEU HB3 . . 5.260 4.765 4.629 4.867 . 0 0 "[ . 1 . 2]" 2
536 1 25 PHE HB3 1 31 LEU HB3 . . 5.080 4.727 4.347 4.907 . 0 0 "[ . 1 . 2]" 2
537 1 25 PHE HB2 1 31 LEU HB3 . . 4.540 3.386 3.074 3.534 . 0 0 "[ . 1 . 2]" 2
538 1 31 LEU HB2 1 32 ASP H . . 4.300 4.235 4.104 4.318 0.018 1 0 "[ . 1 . 2]" 2
539 1 25 PHE QD 1 31 LEU HB2 . . 4.240 2.041 1.984 2.281 . 0 0 "[ . 1 . 2]" 2
540 1 16 TYR QD 1 31 LEU HB2 . . 5.180 4.692 4.562 4.989 . 0 0 "[ . 1 . 2]" 2
541 1 16 TYR HA 1 31 LEU HB2 . . 5.500 5.241 5.108 5.430 . 0 0 "[ . 1 . 2]" 2
542 1 18 CYS HA 1 31 LEU HB2 . . 5.500 5.136 4.934 5.387 . 0 0 "[ . 1 . 2]" 2
543 1 28 LYS HA 1 31 LEU HB2 . . 4.180 4.072 3.930 4.167 . 0 0 "[ . 1 . 2]" 2
544 1 25 PHE HB3 1 31 LEU HB2 . . 4.700 3.923 3.705 4.123 . 0 0 "[ . 1 . 2]" 2
545 1 21 CYS HA 1 39 HIS HE1 . . 5.190 4.353 4.161 4.588 . 0 0 "[ . 1 . 2]" 2
546 1 39 HIS HA 1 39 HIS HE1 . . 5.500 4.734 4.709 4.782 . 0 0 "[ . 1 . 2]" 2
547 1 21 CYS HB3 1 39 HIS HE1 . . 3.460 2.490 2.239 2.777 . 0 0 "[ . 1 . 2]" 2
548 1 20 HIS HB2 1 39 HIS HE1 . . 4.480 3.454 3.183 3.822 . 0 0 "[ . 1 . 2]" 2
549 1 38 TYR HB2 1 39 HIS HE1 . . 5.500 5.423 5.204 5.505 0.005 18 0 "[ . 1 . 2]" 2
550 1 20 HIS HB3 1 39 HIS HE1 . . 4.480 2.680 2.321 3.417 . 0 0 "[ . 1 . 2]" 2
551 1 38 TYR HB3 1 39 HIS HE1 . . 5.250 5.158 4.982 5.259 0.009 15 0 "[ . 1 . 2]" 2
552 1 31 LEU MD1 1 35 PHE HB3 . . 4.750 4.582 4.353 4.753 0.003 12 0 "[ . 1 . 2]" 2
553 1 20 HIS HE1 1 35 PHE QE . . 4.710 3.038 2.853 3.286 . 0 0 "[ . 1 . 2]" 2
554 1 20 HIS HE1 1 35 PHE HZ . . 4.550 3.779 3.290 4.466 . 0 0 "[ . 1 . 2]" 2
555 1 19 SER HB2 1 20 HIS HE1 . . 5.500 5.113 4.353 5.503 0.003 7 0 "[ . 1 . 2]" 2
556 1 19 SER HB3 1 20 HIS HE1 . . 5.500 5.106 3.900 5.505 0.005 18 0 "[ . 1 . 2]" 2
557 1 34 HIS HE1 1 38 TYR QD . . 4.490 3.998 3.673 4.168 . 0 0 "[ . 1 . 2]" 2
558 1 25 PHE QE 1 34 HIS HE1 . . 5.070 4.601 4.415 4.835 . 0 0 "[ . 1 . 2]" 2
559 1 25 PHE HZ 1 34 HIS HE1 . . 4.970 3.494 3.338 3.770 . 0 0 "[ . 1 . 2]" 2
560 1 34 HIS HE1 1 38 TYR HB2 . . 4.740 3.759 3.592 3.951 . 0 0 "[ . 1 . 2]" 2
561 1 23 LYS QG 1 34 HIS HE1 . . 3.430 2.342 2.212 2.435 . 0 0 "[ . 1 . 2]" 2
562 1 41 PRO HG2 1 42 ASN QB . . 5.130 4.917 4.636 5.080 . 0 0 "[ . 1 . 2]" 2
563 1 18 CYS H 1 24 THR HB . . 5.430 5.317 5.124 5.434 0.004 4 0 "[ . 1 . 2]" 2
564 1 16 TYR H 1 24 THR HB . . 4.740 4.658 4.355 4.751 0.011 15 0 "[ . 1 . 2]" 2
565 1 24 THR HB 1 25 PHE QD . . 4.650 4.579 4.358 4.665 0.015 5 0 "[ . 1 . 2]" 2
566 1 14 LYS HA 1 24 THR HB . . 4.760 4.467 4.363 4.685 . 0 0 "[ . 1 . 2]" 2
567 1 16 TYR HB3 1 25 PHE HB3 . . 5.500 5.507 5.487 5.534 0.034 11 0 "[ . 1 . 2]" 2
568 1 16 TYR HB3 1 31 LEU HB3 . . 4.520 3.052 2.856 3.297 . 0 0 "[ . 1 . 2]" 2
569 1 16 TYR HB3 1 31 LEU HG . . 5.010 4.300 4.198 4.434 . 0 0 "[ . 1 . 2]" 2
570 1 16 TYR HB3 1 31 LEU HB2 . . 4.380 3.116 2.981 3.424 . 0 0 "[ . 1 . 2]" 2
571 1 16 TYR HB3 1 31 LEU MD1 . . 4.550 4.120 3.789 4.336 . 0 0 "[ . 1 . 2]" 2
572 1 16 TYR HB3 1 25 PHE QD . . 4.750 3.821 3.668 4.158 . 0 0 "[ . 1 . 2]" 2
573 1 16 TYR HB2 1 25 PHE QD . . 4.850 3.428 3.272 3.649 . 0 0 "[ . 1 . 2]" 2
574 1 16 TYR HB2 1 25 PHE HB3 . . 4.730 4.339 4.235 4.470 . 0 0 "[ . 1 . 2]" 2
575 1 16 TYR HB2 1 31 LEU HB3 . . 4.630 3.765 3.625 3.902 . 0 0 "[ . 1 . 2]" 2
576 1 16 TYR HB2 1 31 LEU HG . . 5.500 5.527 5.478 5.606 0.106 9 0 "[ . 1 . 2]" 2
577 1 16 TYR HB2 1 31 LEU HB2 . . 4.530 3.366 3.294 3.515 . 0 0 "[ . 1 . 2]" 2
578 1 16 TYR HB2 1 31 LEU MD1 . . 4.990 4.751 4.429 4.853 . 0 0 "[ . 1 . 2]" 2
579 1 38 TYR HB2 1 40 ASP H . . 5.500 4.389 4.347 4.452 . 0 0 "[ . 1 . 2]" 2
580 1 34 HIS HE1 1 38 TYR HB3 . . 4.910 4.406 4.148 4.639 . 0 0 "[ . 1 . 2]" 2
581 1 38 TYR HB3 1 40 ASP H . . 4.930 4.729 4.670 4.856 . 0 0 "[ . 1 . 2]" 2
582 1 16 TYR HB2 1 25 PHE H . . 4.780 2.881 2.617 3.090 . 0 0 "[ . 1 . 2]" 2
583 1 56 THR HB 1 57 PHE H . . 3.620 3.053 2.898 3.323 . 0 0 "[ . 1 . 2]" 2
584 1 76 VAL MG1 1 77 GLU QG . . 5.500 4.716 3.539 5.496 . 0 0 "[ . 1 . 2]" 2
585 1 76 VAL MG2 1 77 GLU QG . . 5.500 4.445 2.456 5.417 . 0 0 "[ . 1 . 2]" 2
586 1 59 ARG H 1 62 THR HB . . 4.910 3.534 3.094 4.296 . 0 0 "[ . 1 . 2]" 2
587 1 57 PHE HB3 1 62 THR HB . . 4.260 3.517 3.167 3.923 . 0 0 "[ . 1 . 2]" 2
588 1 62 THR HB 1 63 MET HA . . 5.330 4.194 4.039 4.340 . 0 0 "[ . 1 . 2]" 2
589 1 62 THR HB 1 63 MET H . . 3.570 2.446 2.203 2.628 . 0 0 "[ . 1 . 2]" 2
590 1 57 PHE QE 1 62 THR HB . . 5.340 5.061 4.547 5.290 . 0 0 "[ . 1 . 2]" 2
591 1 57 PHE HB2 1 62 THR HB . . 5.260 4.927 4.673 5.267 0.007 18 0 "[ . 1 . 2]" 2
592 1 59 ARG HB2 1 62 THR HB . . 4.410 3.000 2.089 4.322 . 0 0 "[ . 1 . 2]" 2
593 1 59 ARG HB3 1 62 THR HB . . 4.410 3.453 2.280 4.412 0.002 18 0 "[ . 1 . 2]" 2
594 1 52 LYS HB2 1 72 GLY HA2 . . 4.900 3.848 3.404 4.235 . 0 0 "[ . 1 . 2]" 2
595 1 52 LYS HB2 1 70 CYS HB3 . . 5.310 3.195 3.004 3.479 . 0 0 "[ . 1 . 2]" 2
596 1 52 LYS HB3 1 72 GLY HA2 . . 4.900 2.695 2.243 3.013 . 0 0 "[ . 1 . 2]" 2
597 1 52 LYS HB3 1 52 LYS QE . . 5.110 3.677 2.163 4.199 . 0 0 "[ . 1 . 2]" 2
598 1 52 LYS HB3 1 70 CYS HB3 . . 5.310 3.871 3.640 4.299 . 0 0 "[ . 1 . 2]" 2
599 1 16 TYR QD 1 17 ALA H . . 4.880 4.772 4.575 4.854 . 0 0 "[ . 1 . 2]" 2
600 1 16 TYR HA 1 16 TYR QD . . 3.380 3.101 3.062 3.145 . 0 0 "[ . 1 . 2]" 2
601 1 15 PRO HD2 1 16 TYR QD . . 4.210 2.618 2.496 2.788 . 0 0 "[ . 1 . 2]" 2
602 1 15 PRO HG2 1 16 TYR QD . . 4.550 2.171 1.991 2.484 . 0 0 "[ . 1 . 2]" 2
603 1 15 PRO HG3 1 16 TYR QD . . 4.550 3.739 3.585 3.995 . 0 0 "[ . 1 . 2]" 2
604 1 16 TYR QD 1 31 LEU MD2 . . 3.690 2.821 2.487 3.320 . 0 0 "[ . 1 . 2]" 2
605 1 34 HIS HA 1 38 TYR QD . . 3.700 3.077 2.360 3.329 . 0 0 "[ . 1 . 2]" 2
606 1 37 ARG HB2 1 38 TYR QD . . 4.270 4.010 3.900 4.093 . 0 0 "[ . 1 . 2]" 2
607 1 38 TYR HA 1 38 TYR QD . . 3.530 3.074 3.037 3.105 . 0 0 "[ . 1 . 2]" 2
608 1 55 LYS HB3 1 57 PHE QD . . 5.130 3.737 3.388 4.082 . 0 0 "[ . 1 . 2]" 2
609 1 29 GLN QG 1 30 LEU H . . 4.210 3.548 3.163 4.144 . 0 0 "[ . 1 . 2]" 2
610 1 29 GLN HA 1 29 GLN QG . . 3.510 2.653 2.309 2.996 . 0 0 "[ . 1 . 2]" 2
611 1 29 GLN QG 1 32 ASP HB3 . . 4.550 3.994 3.642 4.386 . 0 0 "[ . 1 . 2]" 2
612 1 29 GLN QG 1 30 LEU MD1 . . 5.320 3.886 2.645 5.347 0.027 18 0 "[ . 1 . 2]" 2
613 1 27 GLN H 1 27 GLN HG3 . . 4.700 3.560 2.702 4.286 . 0 0 "[ . 1 . 2]" 2
614 1 23 LYS H 1 23 LYS HB2 . . 3.850 2.423 2.365 2.470 . 0 0 "[ . 1 . 2]" 2
615 1 23 LYS HB2 1 25 PHE QD . . 5.420 4.984 4.803 5.089 . 0 0 "[ . 1 . 2]" 2
616 1 18 CYS HB3 1 23 LYS HB2 . . 5.150 2.972 2.783 3.110 . 0 0 "[ . 1 . 2]" 2
617 1 18 CYS HB2 1 23 LYS HB2 . . 5.340 3.021 2.826 3.267 . 0 0 "[ . 1 . 2]" 2
618 1 23 LYS HB3 1 25 PHE QD . . 5.420 4.429 4.300 4.476 . 0 0 "[ . 1 . 2]" 2
619 1 18 CYS HB3 1 23 LYS HB3 . . 5.150 4.522 4.299 4.723 . 0 0 "[ . 1 . 2]" 2
620 1 18 CYS HB2 1 23 LYS HB3 . . 5.340 4.140 3.886 4.346 . 0 0 "[ . 1 . 2]" 2
621 1 57 PHE QD 1 63 MET HB3 . . 4.730 4.544 4.367 4.747 0.017 9 0 "[ . 1 . 2]" 2
622 1 57 PHE QD 1 66 HIS HD2 . . 4.880 4.553 4.141 4.857 . 0 0 "[ . 1 . 2]" 2
623 1 53 CYS HB2 1 55 LYS H . . 4.700 4.276 3.882 4.520 . 0 0 "[ . 1 . 2]" 2
624 1 53 CYS HB2 1 73 PRO HA . . 3.940 2.456 1.996 3.316 . 0 0 "[ . 1 . 2]" 2
625 1 53 CYS HB2 1 73 PRO QD . . 4.530 4.152 3.762 4.525 . 0 0 "[ . 1 . 2]" 2
626 1 53 CYS HB2 1 72 GLY HA2 . . 4.870 4.387 3.957 4.790 . 0 0 "[ . 1 . 2]" 2
627 1 53 CYS HB2 1 73 PRO QG . . 5.380 4.996 4.572 5.366 . 0 0 "[ . 1 . 2]" 2
628 1 53 CYS HB3 1 73 PRO HA . . 4.030 3.208 2.663 3.949 . 0 0 "[ . 1 . 2]" 2
629 1 53 CYS HB3 1 73 PRO QD . . 4.450 3.860 3.317 4.335 . 0 0 "[ . 1 . 2]" 2
630 1 53 CYS HB3 1 72 GLY HA2 . . 4.360 3.087 2.678 3.539 . 0 0 "[ . 1 . 2]" 2
631 1 44 VAL H 1 44 VAL HB . . 3.520 3.357 3.203 3.540 0.020 16 0 "[ . 1 . 2]" 2
632 1 43 PHE HA 1 44 VAL HB . . 4.770 4.593 4.492 4.751 . 0 0 "[ . 1 . 2]" 2
633 1 44 VAL HB 1 45 PRO QD . . 4.290 3.737 3.600 3.850 . 0 0 "[ . 1 . 2]" 2
634 1 16 TYR H 1 25 PHE QD . . 5.500 5.308 5.158 5.513 0.013 14 0 "[ . 1 . 2]" 2
635 1 16 TYR QD 1 25 PHE QD . . 5.500 5.168 5.048 5.355 . 0 0 "[ . 1 . 2]" 2
636 1 24 THR HA 1 25 PHE QD . . 3.900 2.794 2.545 2.885 . 0 0 "[ . 1 . 2]" 2
637 1 25 PHE HA 1 25 PHE QD . . 3.840 3.210 3.166 3.289 . 0 0 "[ . 1 . 2]" 2
638 1 18 CYS HA 1 25 PHE QD . . 5.230 5.110 4.921 5.219 . 0 0 "[ . 1 . 2]" 2
639 1 25 PHE QD 1 30 LEU HA . . 4.730 4.367 4.204 4.475 . 0 0 "[ . 1 . 2]" 2
640 1 25 PHE QD 1 30 LEU HB2 . . 3.800 3.209 2.546 3.419 . 0 0 "[ . 1 . 2]" 2
641 1 25 PHE QD 1 30 LEU HB3 . . 3.740 2.028 1.969 2.353 . 0 0 "[ . 1 . 2]" 2
642 1 25 PHE QD 1 31 LEU MD2 . . 4.090 3.045 2.786 3.308 . 0 0 "[ . 1 . 2]" 2
643 1 57 PHE QD 1 62 THR HB . . 4.030 3.377 2.752 3.694 . 0 0 "[ . 1 . 2]" 2
644 1 48 PHE HB3 1 57 PHE QD . . 5.380 4.976 4.519 5.306 . 0 0 "[ . 1 . 2]" 2
645 1 48 PHE HB2 1 57 PHE QD . . 4.800 4.584 4.187 4.808 0.008 3 0 "[ . 1 . 2]" 2
646 1 57 PHE QD 1 63 MET HA . . 4.280 3.295 2.917 3.610 . 0 0 "[ . 1 . 2]" 2
647 1 57 PHE QD 1 63 MET HB2 . . 3.940 3.337 3.076 3.705 . 0 0 "[ . 1 . 2]" 2
648 1 56 THR MG 1 57 PHE QD . . 4.980 4.860 4.644 4.985 0.005 14 0 "[ . 1 . 2]" 2
649 1 48 PHE H 1 57 PHE QD . . 5.500 5.315 4.933 5.493 . 0 0 "[ . 1 . 2]" 2
650 1 56 THR HA 1 57 PHE QD . . 3.990 3.200 2.924 3.397 . 0 0 "[ . 1 . 2]" 2
651 1 56 THR HB 1 57 PHE QD . . 5.350 5.055 4.743 5.234 . 0 0 "[ . 1 . 2]" 2
652 1 27 GLN HB2 1 30 LEU MD2 . . 5.240 2.403 1.853 4.050 . 0 0 "[ . 1 . 2]" 2
653 1 27 GLN HB2 1 31 LEU H . . 5.500 5.251 4.874 5.565 0.065 20 0 "[ . 1 . 2]" 2
654 1 32 ASP H 1 33 MET QB . . 5.130 4.781 4.633 4.914 . 0 0 "[ . 1 . 2]" 2
655 1 33 MET HA 1 36 LYS HB2 . . 3.710 2.883 2.767 2.976 . 0 0 "[ . 1 . 2]" 2
656 1 36 LYS HB2 1 36 LYS QE . . 5.030 3.646 2.039 4.436 . 0 0 "[ . 1 . 2]" 2
657 1 36 LYS HB2 1 43 PHE HB2 . . 4.960 3.269 2.972 3.579 . 0 0 "[ . 1 . 2]" 2
658 1 27 GLN HB3 1 30 LEU H . . 4.320 3.464 2.673 3.816 . 0 0 "[ . 1 . 2]" 2
659 1 27 GLN HB3 1 29 GLN HB3 . . 4.530 3.142 2.763 3.573 . 0 0 "[ . 1 . 2]" 2
660 1 36 LYS HB3 1 43 PHE QD . . 4.940 3.093 2.492 3.295 . 0 0 "[ . 1 . 2]" 2
661 1 36 LYS HB3 1 36 LYS QE . . 4.680 2.923 1.994 3.999 . 0 0 "[ . 1 . 2]" 2
662 1 35 PHE QD 1 36 LYS QE . . 5.430 4.750 2.882 5.418 . 0 0 "[ . 1 . 2]" 2
663 1 35 PHE QD 1 40 ASP HB2 . . 5.500 3.756 3.136 4.316 . 0 0 "[ . 1 . 2]" 2
664 1 35 PHE QD 1 40 ASP HB3 . . 5.500 4.833 4.131 5.456 . 0 0 "[ . 1 . 2]" 2
665 1 35 PHE H 1 35 PHE QD . . 4.790 4.184 4.179 4.189 . 0 0 "[ . 1 . 2]" 2
666 1 35 PHE QD 1 36 LYS QD . . 5.030 4.186 3.322 5.035 0.005 9 0 "[ . 1 . 2]" 2
667 1 31 LEU MD1 1 35 PHE QD . . 4.590 3.947 3.704 4.142 . 0 0 "[ . 1 . 2]" 2
668 1 37 ARG HA 1 43 PHE QD . . 5.230 3.512 3.275 3.904 . 0 0 "[ . 1 . 2]" 2
669 1 36 LYS HB2 1 43 PHE QD . . 4.220 3.377 2.984 3.763 . 0 0 "[ . 1 . 2]" 2
670 1 36 LYS HB2 1 37 ARG HA . . 5.160 4.842 4.675 4.977 . 0 0 "[ . 1 . 2]" 2
671 1 14 LYS HB2 1 24 THR HB . . 4.390 2.014 1.980 2.103 . 0 0 "[ . 1 . 2]" 2
672 1 14 LYS HB2 1 14 LYS QE . . 4.910 3.880 2.438 4.050 . 0 0 "[ . 1 . 2]" 2
673 1 14 LYS HB2 1 15 PRO HD2 . . 4.720 4.587 4.264 4.717 . 0 0 "[ . 1 . 2]" 2
674 1 43 PHE HA 1 43 PHE QD . . 3.750 3.130 3.104 3.151 . 0 0 "[ . 1 . 2]" 2
675 1 48 PHE QD 1 58 THR HA . . 4.740 4.139 2.940 4.684 . 0 0 "[ . 1 . 2]" 2
676 1 48 PHE QD 1 57 PHE HB3 . . 5.500 5.205 4.860 5.448 . 0 0 "[ . 1 . 2]" 2
677 1 48 PHE QD 1 57 PHE HB2 . . 5.010 4.631 4.239 4.839 . 0 0 "[ . 1 . 2]" 2
678 1 48 PHE QD 1 63 MET HB2 . . 5.190 4.800 4.486 5.060 . 0 0 "[ . 1 . 2]" 2
679 1 46 ALA MB 1 48 PHE QD . . 4.960 2.685 2.305 2.903 . 0 0 "[ . 1 . 2]" 2
680 1 47 ALA MB 1 48 PHE QD . . 4.620 4.479 4.286 4.636 0.016 6 0 "[ . 1 . 2]" 2
681 1 14 LYS HB3 1 16 TYR H . . 5.500 3.427 3.122 3.681 . 0 0 "[ . 1 . 2]" 2
682 1 14 LYS HB3 1 14 LYS QE . . 4.820 4.036 3.327 4.371 . 0 0 "[ . 1 . 2]" 2
683 1 14 LYS HA 1 15 PRO HB3 . . 5.120 4.965 4.852 5.035 . 0 0 "[ . 1 . 2]" 2
684 1 35 PHE QE 1 39 HIS HB3 . . 4.980 3.561 3.312 3.994 . 0 0 "[ . 1 . 2]" 2
685 1 35 PHE QE 1 40 ASP HB2 . . 5.500 4.154 3.347 4.949 . 0 0 "[ . 1 . 2]" 2
686 1 33 MET H 1 33 MET HG2 . . 4.020 2.464 1.958 3.377 . 0 0 "[ . 1 . 2]" 2
687 1 53 CYS HA 1 73 PRO HB2 . . 4.930 4.535 4.219 4.868 . 0 0 "[ . 1 . 2]" 2
688 1 43 PHE QE 1 45 PRO HB3 . . 4.130 2.919 2.484 3.101 . 0 0 "[ . 1 . 2]" 2
689 1 44 VAL MG2 1 45 PRO HB3 . . 5.140 5.025 4.915 5.151 0.011 17 0 "[ . 1 . 2]" 2
690 1 45 PRO HB3 1 47 ALA MB . . 5.500 5.465 5.307 5.519 0.019 7 0 "[ . 1 . 2]" 2
691 1 15 PRO HB2 1 16 TYR QD . . 5.230 4.041 3.903 4.252 . 0 0 "[ . 1 . 2]" 2
692 1 43 PHE QE 1 45 PRO HB2 . . 4.760 4.489 4.093 4.621 . 0 0 "[ . 1 . 2]" 2
693 1 15 PRO HB3 1 16 TYR QD . . 5.170 4.917 4.836 5.097 . 0 0 "[ . 1 . 2]" 2
694 1 15 PRO HB3 1 16 TYR H . . 4.450 4.150 3.985 4.323 . 0 0 "[ . 1 . 2]" 2
695 1 36 LYS HB2 1 43 PHE QE . . 5.260 4.891 4.407 5.106 . 0 0 "[ . 1 . 2]" 2
696 1 62 THR HA 1 65 ARG QD . . 5.400 3.284 2.175 4.130 . 0 0 "[ . 1 . 2]" 2
697 1 61 ASN QB 1 62 THR HA . . 5.090 3.940 3.744 4.444 . 0 0 "[ . 1 . 2]" 2
698 1 62 THR HA 1 65 ARG QB . . 3.620 3.160 2.774 3.449 . 0 0 "[ . 1 . 2]" 2
699 1 62 THR HA 1 65 ARG QG . . 4.300 3.810 3.350 4.256 . 0 0 "[ . 1 . 2]" 2
700 1 62 THR HA 1 62 THR MG . . 3.270 2.344 2.196 2.485 . 0 0 "[ . 1 . 2]" 2
701 1 57 PHE QD 1 63 MET QG . . 3.520 2.409 2.140 2.705 . 0 0 "[ . 1 . 2]" 2
702 1 50 CYS HA 1 63 MET QG . . 4.660 3.138 2.625 3.483 . 0 0 "[ . 1 . 2]" 2
703 1 60 ARG HA 1 63 MET QG . . 4.810 4.617 4.221 4.817 0.007 6 0 "[ . 1 . 2]" 2
704 1 48 PHE HB2 1 63 MET QG . . 4.220 3.513 2.975 3.905 . 0 0 "[ . 1 . 2]" 2
705 1 62 THR MG 1 63 MET QG . . 5.500 4.994 4.758 5.258 . 0 0 "[ . 1 . 2]" 2
706 1 63 MET QG 1 64 ALA MB . . 5.500 5.050 4.802 5.190 . 0 0 "[ . 1 . 2]" 2
707 1 25 PHE QE 1 34 HIS HD2 . . 4.400 3.658 3.421 3.936 . 0 0 "[ . 1 . 2]" 2
708 1 24 THR HA 1 25 PHE QE . . 4.670 3.626 3.405 3.714 . 0 0 "[ . 1 . 2]" 2
709 1 18 CYS HB3 1 25 PHE QE . . 3.960 3.666 3.548 3.783 . 0 0 "[ . 1 . 2]" 2
710 1 25 PHE QE 1 30 LEU HB2 . . 5.270 5.116 4.620 5.285 0.015 15 0 "[ . 1 . 2]" 2
711 1 25 PHE QE 1 31 LEU HB3 . . 5.500 4.889 4.764 4.986 . 0 0 "[ . 1 . 2]" 2
712 1 18 CYS HA 1 25 PHE QE . . 5.300 4.280 4.072 4.460 . 0 0 "[ . 1 . 2]" 2
713 1 50 CYS HA 1 57 PHE QE . . 5.500 4.364 3.977 5.089 . 0 0 "[ . 1 . 2]" 2
714 1 63 MET QG 1 64 ALA HA . . 4.870 4.594 4.109 4.824 . 0 0 "[ . 1 . 2]" 2
715 1 57 PHE HB3 1 63 MET QG . . 4.580 3.734 3.217 4.151 . 0 0 "[ . 1 . 2]" 2
716 1 48 PHE HB3 1 63 MET QG . . 4.070 3.148 2.595 3.842 . 0 0 "[ . 1 . 2]" 2
717 1 63 MET QG 1 66 HIS HB3 . . 4.590 3.551 3.355 3.794 . 0 0 "[ . 1 . 2]" 2
718 1 57 PHE HB2 1 63 MET QG . . 4.230 2.581 1.987 3.015 . 0 0 "[ . 1 . 2]" 2
719 1 63 MET HA 1 63 MET QG . . 3.530 2.321 2.261 2.451 . 0 0 "[ . 1 . 2]" 2
720 1 14 LYS HG2 1 26 ARG HB2 . . 4.920 3.997 2.819 4.568 . 0 0 "[ . 1 . 2]" 2
721 1 63 MET HB3 1 64 ALA MB . . 5.500 3.877 3.761 3.997 . 0 0 "[ . 1 . 2]" 2
722 1 48 PHE HB3 1 63 MET HB3 . . 4.770 3.328 3.022 3.563 . 0 0 "[ . 1 . 2]" 2
723 1 48 PHE HB2 1 63 MET HB3 . . 4.830 3.762 3.374 4.181 . 0 0 "[ . 1 . 2]" 2
724 1 26 ARG HB3 1 26 ARG QD . . 3.860 2.452 2.074 3.456 . 0 0 "[ . 1 . 2]" 2
725 1 14 LYS HG2 1 26 ARG HB3 . . 4.920 3.458 2.076 4.690 . 0 0 "[ . 1 . 2]" 2
726 1 57 PHE QE 1 63 MET HB2 . . 5.210 4.668 4.323 5.162 . 0 0 "[ . 1 . 2]" 2
727 1 57 PHE H 1 57 PHE QE . . 5.260 4.995 4.822 5.209 . 0 0 "[ . 1 . 2]" 2
728 1 23 LYS HA 1 25 PHE QE . . 5.290 4.763 4.640 4.840 . 0 0 "[ . 1 . 2]" 2
729 1 55 LYS HA 1 57 PHE QE . . 5.500 4.575 4.219 4.928 . 0 0 "[ . 1 . 2]" 2
730 1 50 CYS HB3 1 57 PHE QE . . 3.950 3.688 3.219 3.958 0.008 3 0 "[ . 1 . 2]" 2
731 1 50 CYS HB2 1 57 PHE QE . . 3.640 2.220 1.996 2.990 . 0 0 "[ . 1 . 2]" 2
732 1 57 PHE QE 1 63 MET HA . . 4.600 3.521 3.052 3.819 . 0 0 "[ . 1 . 2]" 2
733 1 57 PHE QE 1 63 MET QG . . 4.300 3.121 2.832 3.374 . 0 0 "[ . 1 . 2]" 2
734 1 25 PHE QE 1 33 MET ME . . 5.500 4.479 3.079 5.342 . 0 0 "[ . 1 . 2]" 2
735 1 55 LYS HB2 1 57 PHE QE . . 4.020 2.468 2.001 3.517 . 0 0 "[ . 1 . 2]" 2
736 1 55 LYS HB3 1 57 PHE QE . . 3.810 2.465 1.996 2.905 . 0 0 "[ . 1 . 2]" 2
737 1 50 CYS HB3 1 57 PHE QD . . 5.250 4.993 4.649 5.134 . 0 0 "[ . 1 . 2]" 2
738 1 50 CYS HB3 1 66 HIS HD2 . . 4.450 4.204 3.977 4.392 . 0 0 "[ . 1 . 2]" 2
739 1 50 CYS HB3 1 54 GLY HA3 . . 5.060 4.391 4.262 4.646 . 0 0 "[ . 1 . 2]" 2
740 1 50 CYS HB3 1 55 LYS HB2 . . 4.690 3.385 3.103 4.021 . 0 0 "[ . 1 . 2]" 2
741 1 50 CYS HB2 1 57 PHE QD . . 4.560 3.551 3.302 4.131 . 0 0 "[ . 1 . 2]" 2
742 1 50 CYS HB2 1 57 PHE HZ . . 5.050 4.184 3.907 4.484 . 0 0 "[ . 1 . 2]" 2
743 1 50 CYS HB2 1 63 MET ME . . 5.020 4.719 4.481 4.963 . 0 0 "[ . 1 . 2]" 2
744 1 50 CYS HB2 1 55 LYS HB3 . . 4.840 3.870 2.979 4.385 . 0 0 "[ . 1 . 2]" 2
745 1 50 CYS HB3 1 53 CYS HA . . 5.330 5.170 4.949 5.253 . 0 0 "[ . 1 . 2]" 2
746 1 50 CYS HB3 1 63 MET QG . . 5.010 4.728 4.492 4.976 . 0 0 "[ . 1 . 2]" 2
747 1 50 CYS HB3 1 55 LYS HB3 . . 4.900 4.609 3.691 4.915 0.015 12 0 "[ . 1 . 2]" 2
748 1 50 CYS HB3 1 54 GLY HA2 . . 5.060 3.243 3.035 3.661 . 0 0 "[ . 1 . 2]" 2
749 1 50 CYS HB2 1 66 HIS HD2 . . 3.800 2.959 2.485 3.269 . 0 0 "[ . 1 . 2]" 2
750 1 50 CYS HB2 1 63 MET QG . . 4.570 3.322 3.001 3.651 . 0 0 "[ . 1 . 2]" 2
751 1 50 CYS HB2 1 55 LYS HB2 . . 4.790 3.027 2.576 4.162 . 0 0 "[ . 1 . 2]" 2
752 1 37 ARG HB2 1 38 TYR QE . . 5.160 5.057 4.907 5.169 0.009 19 0 "[ . 1 . 2]" 2
753 1 33 MET HA 1 37 ARG HB2 . . 4.940 4.434 4.315 4.648 . 0 0 "[ . 1 . 2]" 2
754 1 34 HIS HA 1 37 ARG HB2 . . 4.420 3.471 3.214 3.914 . 0 0 "[ . 1 . 2]" 2
755 1 20 HIS HB3 1 39 HIS HD2 . . 5.170 4.407 4.093 4.716 . 0 0 "[ . 1 . 2]" 2
756 1 37 ARG HB3 1 38 TYR H . . 4.120 2.201 2.119 2.317 . 0 0 "[ . 1 . 2]" 2
757 1 34 HIS HA 1 37 ARG HB3 . . 4.280 2.404 2.264 2.478 . 0 0 "[ . 1 . 2]" 2
758 1 37 ARG HB3 1 38 TYR QD . . 4.250 2.393 2.222 2.541 . 0 0 "[ . 1 . 2]" 2
759 1 33 MET HA 1 37 ARG HB3 . . 5.500 5.120 4.490 5.429 . 0 0 "[ . 1 . 2]" 2
760 1 37 ARG HB3 1 38 TYR HA . . 5.500 4.428 4.282 4.587 . 0 0 "[ . 1 . 2]" 2
761 1 43 PHE HZ 1 45 PRO HA . . 4.590 4.507 4.240 4.611 0.021 17 0 "[ . 1 . 2]" 2
762 1 53 CYS HA 1 73 PRO HA . . 4.560 3.095 2.529 3.699 . 0 0 "[ . 1 . 2]" 2
763 1 43 PHE HZ 1 45 PRO HB3 . . 5.180 4.809 3.899 5.100 . 0 0 "[ . 1 . 2]" 2
764 1 64 ALA H 1 65 ARG QB . . 5.140 4.924 4.652 5.063 . 0 0 "[ . 1 . 2]" 2
765 1 65 ARG QB 1 66 HIS HA . . 4.990 3.837 3.793 3.874 . 0 0 "[ . 1 . 2]" 2
766 1 65 ARG QB 1 66 HIS HB3 . . 5.150 4.483 4.415 4.576 . 0 0 "[ . 1 . 2]" 2
767 1 25 PHE HZ 1 34 HIS HB3 . . 4.560 3.190 3.069 3.333 . 0 0 "[ . 1 . 2]" 2
768 1 25 PHE HZ 1 31 LEU HA . . 5.130 3.683 3.523 3.790 . 0 0 "[ . 1 . 2]" 2
769 1 18 CYS HB2 1 25 PHE HZ . . 5.230 3.966 3.694 4.230 . 0 0 "[ . 1 . 2]" 2
770 1 23 LYS QG 1 25 PHE HZ . . 4.330 3.654 3.563 3.756 . 0 0 "[ . 1 . 2]" 2
771 1 23 LYS HB2 1 25 PHE HZ . . 4.310 3.131 2.994 3.197 . 0 0 "[ . 1 . 2]" 2
772 1 23 LYS HB3 1 25 PHE HZ . . 4.310 2.696 2.539 2.844 . 0 0 "[ . 1 . 2]" 2
773 1 25 PHE HZ 1 34 HIS H . . 5.500 5.321 5.185 5.493 . 0 0 "[ . 1 . 2]" 2
774 1 15 PRO HA 1 16 TYR QD . . 5.080 5.042 4.953 5.104 0.024 8 0 "[ . 1 . 2]" 2
775 1 35 PHE QD 1 39 HIS HD2 . . 3.700 2.504 2.223 2.793 . 0 0 "[ . 1 . 2]" 2
776 1 35 PHE HB2 1 39 HIS HD2 . . 4.660 3.053 2.847 3.271 . 0 0 "[ . 1 . 2]" 2
777 1 35 PHE HB3 1 39 HIS HD2 . . 4.720 4.040 3.914 4.190 . 0 0 "[ . 1 . 2]" 2
778 1 38 TYR HB3 1 39 HIS HD2 . . 5.500 5.484 5.376 5.512 0.012 9 0 "[ . 1 . 2]" 2
779 1 35 PHE QE 1 39 HIS HD2 . . 4.940 3.605 3.522 3.743 . 0 0 "[ . 1 . 2]" 2
780 1 20 HIS HB2 1 39 HIS HD2 . . 5.170 3.521 3.312 3.735 . 0 0 "[ . 1 . 2]" 2
781 1 25 PHE HZ 1 34 HIS HD2 . . 5.040 3.362 3.099 3.567 . 0 0 "[ . 1 . 2]" 2
782 1 35 PHE HA 1 39 HIS HB3 . . 4.860 4.629 4.476 4.872 0.012 17 0 "[ . 1 . 2]" 2
783 1 35 PHE HA 1 38 TYR HB3 . . 5.360 5.190 5.038 5.298 . 0 0 "[ . 1 . 2]" 2
784 1 35 PHE HA 1 35 PHE QD . . 3.700 3.165 3.142 3.187 . 0 0 "[ . 1 . 2]" 2
785 1 35 PHE HA 1 37 ARG H . . 4.220 3.673 3.631 3.760 . 0 0 "[ . 1 . 2]" 2
786 1 35 PHE HA 1 39 HIS HD2 . . 3.270 2.012 1.983 2.082 . 0 0 "[ . 1 . 2]" 2
787 1 21 CYS HB3 1 22 ASP H . . 3.690 3.616 3.543 3.666 . 0 0 "[ . 1 . 2]" 2
788 1 21 CYS H 1 21 CYS HB3 . . 3.660 3.067 2.972 3.218 . 0 0 "[ . 1 . 2]" 2
789 1 21 CYS HB2 1 39 HIS HE1 . . 4.820 4.201 3.863 4.511 . 0 0 "[ . 1 . 2]" 2
790 1 21 CYS HB2 1 22 ASP HA . . 5.070 4.672 4.604 4.730 . 0 0 "[ . 1 . 2]" 2
791 1 52 LYS QD 1 72 GLY H . . 5.200 4.341 2.710 5.120 . 0 0 "[ . 1 . 2]" 2
792 1 52 LYS QD 1 53 CYS H . . 5.300 4.649 4.288 4.976 . 0 0 "[ . 1 . 2]" 2
793 1 52 LYS QD 1 71 ALA HA . . 4.630 3.531 2.299 4.283 . 0 0 "[ . 1 . 2]" 2
794 1 52 LYS HA 1 52 LYS QD . . 4.130 3.960 3.660 4.143 0.013 2 0 "[ . 1 . 2]" 2
795 1 52 LYS H 1 52 LYS QD . . 4.430 4.071 3.578 4.457 0.027 9 0 "[ . 1 . 2]" 2
796 1 52 LYS QD 1 67 ALA HA . . 5.110 2.753 2.176 3.536 . 0 0 "[ . 1 . 2]" 2
797 1 48 PHE QE 1 60 ARG HB3 . . 5.030 4.144 3.805 4.899 . 0 0 "[ . 1 . 2]" 2
798 1 48 PHE HZ 1 60 ARG HB3 . . 5.500 4.439 3.991 5.509 0.009 6 0 "[ . 1 . 2]" 2
799 1 48 PHE QD 1 60 ARG HB3 . . 5.420 4.727 4.281 5.359 . 0 0 "[ . 1 . 2]" 2
800 1 57 PHE QE 1 66 HIS HD2 . . 4.670 2.982 2.624 3.418 . 0 0 "[ . 1 . 2]" 2
801 1 57 PHE HZ 1 66 HIS HD2 . . 4.740 2.958 2.668 3.242 . 0 0 "[ . 1 . 2]" 2
802 1 44 VAL H 1 45 PRO HA . . 5.060 4.720 4.474 4.869 . 0 0 "[ . 1 . 2]" 2
803 1 43 PHE QE 1 45 PRO HA . . 3.610 2.886 2.719 3.106 . 0 0 "[ . 1 . 2]" 2
804 1 45 PRO HA 1 46 ALA MB . . 4.150 3.946 3.919 4.002 . 0 0 "[ . 1 . 2]" 2
805 1 44 VAL MG1 1 45 PRO HA . . 5.290 4.574 4.510 4.696 . 0 0 "[ . 1 . 2]" 2
806 1 44 VAL MG2 1 45 PRO HA . . 5.470 4.205 4.051 4.344 . 0 0 "[ . 1 . 2]" 2
807 1 18 CYS HB3 1 34 HIS HD2 . . 5.060 4.656 4.516 4.983 . 0 0 "[ . 1 . 2]" 2
808 1 18 CYS HB3 1 25 PHE QD . . 5.500 5.503 5.468 5.519 0.019 19 0 "[ . 1 . 2]" 2
809 1 18 CYS HB3 1 31 LEU MD1 . . 3.920 3.402 3.215 3.603 . 0 0 "[ . 1 . 2]" 2
810 1 18 CYS HB2 1 25 PHE QD . . 4.740 4.085 3.984 4.287 . 0 0 "[ . 1 . 2]" 2
811 1 18 CYS HB2 1 24 THR HA . . 5.130 4.658 4.398 4.877 . 0 0 "[ . 1 . 2]" 2
812 1 18 CYS HB2 1 21 CYS H . . 4.430 4.305 4.017 4.408 . 0 0 "[ . 1 . 2]" 2
813 1 18 CYS HB2 1 34 HIS HD2 . . 4.170 3.561 3.289 3.802 . 0 0 "[ . 1 . 2]" 2
814 1 18 CYS HB2 1 25 PHE QE . . 3.900 2.220 2.019 2.384 . 0 0 "[ . 1 . 2]" 2
815 1 17 ALA MB 1 18 CYS HB2 . . 5.240 5.112 5.001 5.202 . 0 0 "[ . 1 . 2]" 2
816 1 66 HIS HD2 1 70 CYS HB3 . . 5.050 4.594 4.236 4.974 . 0 0 "[ . 1 . 2]" 2
817 1 52 LYS QD 1 70 CYS HB3 . . 3.970 1.998 1.931 2.103 . 0 0 "[ . 1 . 2]" 2
818 1 35 PHE QD 1 39 HIS HB2 . . 4.650 3.068 2.861 3.395 . 0 0 "[ . 1 . 2]" 2
819 1 35 PHE QE 1 39 HIS HB2 . . 4.980 3.385 3.220 3.640 . 0 0 "[ . 1 . 2]" 2
820 1 35 PHE HA 1 39 HIS HB2 . . 4.860 3.060 2.853 3.366 . 0 0 "[ . 1 . 2]" 2
821 1 66 HIS HD2 1 70 CYS HB2 . . 4.590 3.693 3.274 4.226 . 0 0 "[ . 1 . 2]" 2
822 1 52 LYS QD 1 70 CYS HB2 . . 4.240 3.577 3.419 3.750 . 0 0 "[ . 1 . 2]" 2
823 1 67 ALA MB 1 70 CYS HB2 . . 4.520 4.193 3.914 4.481 . 0 0 "[ . 1 . 2]" 2
824 1 36 LYS QD 1 43 PHE H . . 5.330 4.555 3.805 5.361 0.031 17 0 "[ . 1 . 2]" 2
825 1 52 LYS QD 1 70 CYS H . . 4.560 3.692 3.512 3.885 . 0 0 "[ . 1 . 2]" 2
826 1 36 LYS H 1 36 LYS QD . . 4.650 4.180 3.993 4.515 . 0 0 "[ . 1 . 2]" 2
827 1 36 LYS HA 1 36 LYS QD . . 4.180 3.009 1.977 4.084 . 0 0 "[ . 1 . 2]" 2
828 1 36 LYS HB2 1 36 LYS QD . . 3.680 3.036 2.450 3.487 . 0 0 "[ . 1 . 2]" 2
829 1 55 LYS H 1 55 LYS HD2 . . 5.140 4.242 3.779 5.089 . 0 0 "[ . 1 . 2]" 2
830 1 55 LYS HD2 1 66 HIS HE1 . . 4.610 3.508 2.962 4.562 . 0 0 "[ . 1 . 2]" 2
831 1 55 LYS HD2 1 57 PHE HZ . . 4.650 3.975 3.288 4.648 . 0 0 "[ . 1 . 2]" 2
832 1 35 PHE QD 1 39 HIS HB3 . . 4.650 4.188 3.983 4.522 . 0 0 "[ . 1 . 2]" 2
833 1 55 LYS H 1 55 LYS HD3 . . 5.140 4.858 4.290 5.128 . 0 0 "[ . 1 . 2]" 2
834 1 55 LYS HA 1 55 LYS HD3 . . 4.920 4.484 4.301 4.579 . 0 0 "[ . 1 . 2]" 2
835 1 57 PHE HZ 1 66 HIS HA . . 5.500 5.275 5.004 5.501 0.001 18 0 "[ . 1 . 2]" 2
836 1 57 PHE HZ 1 66 HIS HB2 . . 4.380 3.413 3.044 3.679 . 0 0 "[ . 1 . 2]" 2
837 1 57 PHE HZ 1 63 MET HA . . 5.220 4.226 3.869 4.613 . 0 0 "[ . 1 . 2]" 2
838 1 55 LYS HB2 1 57 PHE HZ . . 4.630 3.739 3.370 4.385 . 0 0 "[ . 1 . 2]" 2
839 1 55 LYS HD3 1 57 PHE HZ . . 4.650 3.300 2.896 3.819 . 0 0 "[ . 1 . 2]" 2
840 1 55 LYS HB3 1 57 PHE HZ . . 4.530 3.614 3.180 3.992 . 0 0 "[ . 1 . 2]" 2
841 1 52 LYS QE 1 70 CYS HB3 . . 4.810 3.595 3.134 3.909 . 0 0 "[ . 1 . 2]" 2
842 1 76 VAL HA 1 76 VAL MG1 . . 3.620 2.816 2.241 3.204 . 0 0 "[ . 1 . 2]" 2
843 1 33 MET HA 1 34 HIS HB3 . . 5.500 5.545 5.535 5.557 0.057 8 0 "[ . 1 . 2]" 2
844 1 34 HIS HD2 1 35 PHE H . . 4.400 2.889 2.583 3.130 . 0 0 "[ . 1 . 2]" 2
845 1 31 LEU HA 1 34 HIS HD2 . . 4.700 3.746 3.546 4.035 . 0 0 "[ . 1 . 2]" 2
846 1 34 HIS HD2 1 35 PHE HB3 . . 5.160 4.403 4.192 4.636 . 0 0 "[ . 1 . 2]" 2
847 1 34 HIS HD2 1 39 HIS HD2 . . 4.250 3.745 3.578 4.018 . 0 0 "[ . 1 . 2]" 2
848 1 18 CYS HA 1 34 HIS HD2 . . 5.500 5.194 5.021 5.325 . 0 0 "[ . 1 . 2]" 2
849 1 34 HIS HA 1 34 HIS HD2 . . 5.130 4.565 4.471 4.653 . 0 0 "[ . 1 . 2]" 2
850 1 34 HIS HD2 1 35 PHE HA . . 4.150 3.064 2.796 3.353 . 0 0 "[ . 1 . 2]" 2
851 1 25 PHE QE 1 34 HIS HB3 . . 4.580 3.328 3.015 3.494 . 0 0 "[ . 1 . 2]" 2
852 1 33 MET QB 1 34 HIS HB3 . . 5.500 5.404 5.305 5.463 . 0 0 "[ . 1 . 2]" 2
853 1 33 MET ME 1 34 HIS HB3 . . 5.500 4.720 3.470 5.500 0.000 9 0 "[ . 1 . 2]" 2
854 1 34 HIS HB3 1 35 PHE H . . 4.020 2.773 2.640 2.908 . 0 0 "[ . 1 . 2]" 2
855 1 25 PHE QE 1 34 HIS HB2 . . 4.250 2.476 2.118 2.652 . 0 0 "[ . 1 . 2]" 2
856 1 25 PHE HZ 1 34 HIS HB2 . . 4.340 3.031 2.851 3.328 . 0 0 "[ . 1 . 2]" 2
857 1 31 LEU MD1 1 34 HIS HB2 . . 4.640 4.560 4.362 4.648 0.008 11 0 "[ . 1 . 2]" 2
858 1 23 LYS H 1 23 LYS HD2 . . 5.260 5.220 4.840 5.298 0.038 11 0 "[ . 1 . 2]" 2
859 1 23 LYS HD2 1 34 HIS HE1 . . 5.100 3.827 3.283 4.750 . 0 0 "[ . 1 . 2]" 2
860 1 23 LYS HA 1 23 LYS HD2 . . 4.340 3.579 2.578 4.196 . 0 0 "[ . 1 . 2]" 2
861 1 23 LYS H 1 23 LYS HD3 . . 5.260 4.870 4.682 5.294 0.034 6 0 "[ . 1 . 2]" 2
862 1 23 LYS HD3 1 34 HIS HE1 . . 5.100 4.690 3.734 5.097 . 0 0 "[ . 1 . 2]" 2
863 1 66 HIS HE1 1 70 CYS HA . . 4.640 4.014 3.317 4.591 . 0 0 "[ . 1 . 2]" 2
864 1 57 PHE QD 1 66 HIS HB3 . . 5.460 4.504 4.300 4.698 . 0 0 "[ . 1 . 2]" 2
865 1 63 MET H 1 66 HIS HB3 . . 5.500 4.884 4.644 5.079 . 0 0 "[ . 1 . 2]" 2
866 1 57 PHE HZ 1 66 HIS HB3 . . 4.750 3.504 3.117 3.931 . 0 0 "[ . 1 . 2]" 2
867 1 64 ALA HA 1 66 HIS HB3 . . 5.500 5.256 5.148 5.366 . 0 0 "[ . 1 . 2]" 2
868 1 66 HIS HB3 1 67 ALA HA . . 5.500 4.568 4.507 4.655 . 0 0 "[ . 1 . 2]" 2
869 1 63 MET HB2 1 66 HIS HB3 . . 5.500 4.877 4.584 5.154 . 0 0 "[ . 1 . 2]" 2
870 1 66 HIS HB3 1 67 ALA MB . . 5.500 4.265 4.157 4.373 . 0 0 "[ . 1 . 2]" 2
871 1 66 HIS HB3 1 70 CYS HB2 . . 5.300 4.940 4.623 5.222 . 0 0 "[ . 1 . 2]" 2
872 1 66 HIS HB2 1 70 CYS HB2 . . 5.500 5.201 4.955 5.397 . 0 0 "[ . 1 . 2]" 2
873 1 57 PHE QD 1 66 HIS HB2 . . 5.230 4.643 4.263 4.944 . 0 0 "[ . 1 . 2]" 2
874 1 57 PHE QE 1 66 HIS HB2 . . 4.560 2.943 2.589 3.306 . 0 0 "[ . 1 . 2]" 2
875 1 63 MET HA 1 66 HIS HB2 . . 4.120 3.594 3.384 3.839 . 0 0 "[ . 1 . 2]" 2
876 1 66 HIS HB2 1 67 ALA MB . . 5.500 5.496 5.420 5.541 0.041 16 0 "[ . 1 . 2]" 2
877 1 65 ARG QB 1 66 HIS HB2 . . 5.130 4.425 4.376 4.521 . 0 0 "[ . 1 . 2]" 2
878 1 51 SER HA 1 54 GLY H . . 4.810 4.647 4.404 4.791 . 0 0 "[ . 1 . 2]" 2
879 1 51 SER HA 1 51 SER QB . . 2.800 2.351 2.179 2.491 . 0 0 "[ . 1 . 2]" 2
880 1 29 GLN HB2 1 32 ASP HB3 . . 5.330 5.069 4.814 5.287 . 0 0 "[ . 1 . 2]" 2
881 1 29 GLN HB3 1 32 ASP HB3 . . 5.500 5.421 5.299 5.507 0.007 18 0 "[ . 1 . 2]" 2
882 1 25 PHE QD 1 30 LEU HG . . 5.140 3.719 3.318 4.950 . 0 0 "[ . 1 . 2]" 2
883 1 27 GLN HB2 1 30 LEU HG . . 4.680 4.087 2.128 4.789 0.109 15 0 "[ . 1 . 2]" 2
884 1 53 CYS HA 1 73 PRO QG . . 4.210 3.682 3.310 3.954 . 0 0 "[ . 1 . 2]" 2
885 1 82 GLY HA2 1 83 PRO QG . . 5.500 4.161 3.800 5.223 . 0 0 "[ . 1 . 2]" 2
886 1 82 GLY HA3 1 83 PRO QG . . 5.500 4.490 3.771 5.208 . 0 0 "[ . 1 . 2]" 2
887 1 59 ARG H 1 59 ARG HG2 . . 4.720 4.024 1.943 4.642 . 0 0 "[ . 1 . 2]" 2
888 1 25 PHE HB3 1 30 LEU HG . . 4.420 3.619 2.964 4.418 . 0 0 "[ . 1 . 2]" 2
889 1 48 PHE QD 1 60 ARG HG2 . . 5.230 3.356 2.237 5.151 . 0 0 "[ . 1 . 2]" 2
890 1 43 PHE QE 1 45 PRO HG3 . . 4.560 4.249 3.290 4.569 0.009 15 0 "[ . 1 . 2]" 2
891 1 44 VAL HA 1 45 PRO HG3 . . 4.360 4.323 4.316 4.349 . 0 0 "[ . 1 . 2]" 2
892 1 44 VAL MG2 1 45 PRO HG3 . . 4.730 4.548 4.350 4.790 0.060 17 0 "[ . 1 . 2]" 2
893 1 43 PHE QE 1 45 PRO HG2 . . 5.500 5.080 4.322 5.304 . 0 0 "[ . 1 . 2]" 2
894 1 44 VAL HA 1 45 PRO HG2 . . 4.380 4.165 4.126 4.188 . 0 0 "[ . 1 . 2]" 2
895 1 65 ARG HA 1 65 ARG QG . . 3.490 2.388 2.263 2.483 . 0 0 "[ . 1 . 2]" 2
896 1 61 ASN QB 1 65 ARG QG . . 4.880 4.071 3.296 4.883 0.003 18 0 "[ . 1 . 2]" 2
897 1 64 ALA MB 1 65 ARG QG . . 4.150 3.185 2.976 3.450 . 0 0 "[ . 1 . 2]" 2
898 1 48 PHE QE 1 60 ARG HG2 . . 4.970 3.447 2.177 4.918 . 0 0 "[ . 1 . 2]" 2
899 1 60 ARG HA 1 60 ARG HG2 . . 4.120 2.643 2.205 3.592 . 0 0 "[ . 1 . 2]" 2
900 1 48 PHE QE 1 60 ARG HG3 . . 4.970 2.743 2.020 4.268 . 0 0 "[ . 1 . 2]" 2
901 1 48 PHE QD 1 60 ARG HG3 . . 5.230 3.347 2.174 4.613 . 0 0 "[ . 1 . 2]" 2
902 1 14 LYS HA 1 15 PRO HG2 . . 4.730 4.137 4.115 4.229 . 0 0 "[ . 1 . 2]" 2
903 1 15 PRO HG2 1 26 ARG HA . . 5.110 4.120 3.802 4.508 . 0 0 "[ . 1 . 2]" 2
904 1 14 LYS HA 1 15 PRO HG3 . . 4.730 4.371 4.317 4.421 . 0 0 "[ . 1 . 2]" 2
905 1 15 PRO HG3 1 26 ARG HA . . 5.110 4.670 4.358 5.112 0.002 14 0 "[ . 1 . 2]" 2
906 1 61 ASN HA 1 65 ARG QG . . 4.970 3.951 3.285 4.445 . 0 0 "[ . 1 . 2]" 2
907 1 38 TYR HA 1 40 ASP H . . 4.800 3.799 3.702 4.031 . 0 0 "[ . 1 . 2]" 2
908 1 33 MET QB 1 34 HIS HA . . 5.500 4.413 4.317 4.500 . 0 0 "[ . 1 . 2]" 2
909 1 34 HIS HA 1 38 TYR HB2 . . 5.500 4.663 4.174 4.856 . 0 0 "[ . 1 . 2]" 2
910 1 23 LYS QG 1 24 THR H . . 4.240 4.216 4.160 4.275 0.035 10 0 "[ . 1 . 2]" 2
911 1 23 LYS QG 1 25 PHE QE . . 4.330 4.280 4.198 4.344 0.014 10 0 "[ . 1 . 2]" 2
912 1 55 LYS HA 1 55 LYS HG2 . . 3.900 2.641 2.370 2.989 . 0 0 "[ . 1 . 2]" 2
913 1 18 CYS HB3 1 23 LYS QG . . 4.930 4.355 4.255 4.465 . 0 0 "[ . 1 . 2]" 2
914 1 25 PHE QD 1 30 LEU MD1 . . 4.480 3.654 3.008 4.553 0.073 13 0 "[ . 1 . 2]" 2
915 1 30 LEU MD1 1 31 LEU H . . 4.650 4.398 3.978 4.629 . 0 0 "[ . 1 . 2]" 2
916 1 30 LEU HA 1 30 LEU MD1 . . 4.010 2.328 1.896 3.957 . 0 0 "[ . 1 . 2]" 2
917 1 25 PHE HB3 1 30 LEU MD1 . . 4.750 3.931 2.263 4.403 . 0 0 "[ . 1 . 2]" 2
918 1 27 GLN HB2 1 30 LEU MD1 . . 5.240 3.725 1.932 4.719 . 0 0 "[ . 1 . 2]" 2
919 1 30 LEU HB3 1 30 LEU MD1 . . 3.380 2.568 2.351 3.191 . 0 0 "[ . 1 . 2]" 2
920 1 25 PHE QD 1 28 LYS HA . . 5.500 5.480 5.392 5.526 0.026 15 0 "[ . 1 . 2]" 2
921 1 28 LYS HA 1 32 ASP H . . 4.470 4.209 4.049 4.371 . 0 0 "[ . 1 . 2]" 2
922 1 16 TYR QD 1 28 LYS HA . . 4.080 2.942 2.811 3.160 . 0 0 "[ . 1 . 2]" 2
923 1 16 TYR QE 1 28 LYS HA . . 4.160 3.685 3.476 4.071 . 0 0 "[ . 1 . 2]" 2
924 1 28 LYS HA 1 31 LEU HB3 . . 3.720 2.691 2.491 2.843 . 0 0 "[ . 1 . 2]" 2
925 1 28 LYS HA 1 31 LEU HG . . 5.340 4.670 4.331 4.843 . 0 0 "[ . 1 . 2]" 2
926 1 28 LYS HA 1 31 LEU MD2 . . 4.150 3.479 2.962 3.828 . 0 0 "[ . 1 . 2]" 2
927 1 48 PHE QE 1 60 ARG HA . . 4.860 4.080 3.588 4.458 . 0 0 "[ . 1 . 2]" 2
928 1 48 PHE QD 1 60 ARG HA . . 4.450 3.290 2.989 3.807 . 0 0 "[ . 1 . 2]" 2
929 1 48 PHE HB3 1 60 ARG HA . . 4.340 3.295 2.936 3.975 . 0 0 "[ . 1 . 2]" 2
930 1 60 ARG HA 1 60 ARG QD . . 4.670 3.488 2.615 4.177 . 0 0 "[ . 1 . 2]" 2
931 1 48 PHE HB2 1 60 ARG HA . . 4.630 3.243 2.762 4.229 . 0 0 "[ . 1 . 2]" 2
932 1 60 ARG HA 1 63 MET HB3 . . 3.990 2.991 2.611 3.306 . 0 0 "[ . 1 . 2]" 2
933 1 60 ARG HA 1 63 MET HB2 . . 4.370 3.538 2.954 3.952 . 0 0 "[ . 1 . 2]" 2
934 1 60 ARG HA 1 60 ARG HG3 . . 4.120 3.190 2.502 3.605 . 0 0 "[ . 1 . 2]" 2
935 1 60 ARG HA 1 64 ALA MB . . 4.730 4.511 4.105 4.705 . 0 0 "[ . 1 . 2]" 2
936 1 22 ASP H 1 23 LYS QG . . 5.060 3.576 3.447 3.680 . 0 0 "[ . 1 . 2]" 2
937 1 55 LYS HG2 1 56 THR H . . 4.510 3.213 1.900 3.741 . 0 0 "[ . 1 . 2]" 2
938 1 22 ASP HB3 1 23 LYS QG . . 4.890 4.418 4.307 4.878 . 0 0 "[ . 1 . 2]" 2
939 1 43 PHE QD 1 44 VAL HA . . 4.910 2.863 2.624 3.047 . 0 0 "[ . 1 . 2]" 2
940 1 44 VAL HA 1 45 PRO QD . . 2.810 1.869 1.851 1.881 . 0 0 "[ . 1 . 2]" 2
941 1 29 GLN HA 1 31 LEU H . . 5.500 4.727 4.524 4.907 . 0 0 "[ . 1 . 2]" 2
942 1 29 GLN HA 1 32 ASP H . . 3.940 3.476 3.336 3.588 . 0 0 "[ . 1 . 2]" 2
943 1 29 GLN HA 1 32 ASP HB3 . . 3.440 2.711 2.558 2.824 . 0 0 "[ . 1 . 2]" 2
944 1 63 MET HA 1 66 HIS HA . . 5.500 5.214 5.009 5.436 . 0 0 "[ . 1 . 2]" 2
945 1 62 THR MG 1 63 MET HA . . 4.900 3.521 3.210 3.801 . 0 0 "[ . 1 . 2]" 2
946 1 63 MET HA 1 66 HIS HB3 . . 3.940 2.395 2.204 2.644 . 0 0 "[ . 1 . 2]" 2
947 1 57 PHE HB2 1 63 MET HA . . 4.600 4.003 3.657 4.409 . 0 0 "[ . 1 . 2]" 2
948 1 52 LYS HA 1 52 LYS HG2 . . 3.980 2.463 2.209 2.695 . 0 0 "[ . 1 . 2]" 2
949 1 52 LYS HA 1 52 LYS HG3 . . 3.980 3.097 2.675 3.419 . 0 0 "[ . 1 . 2]" 2
950 1 53 CYS HA 1 73 PRO HB3 . . 4.930 3.039 2.621 3.431 . 0 0 "[ . 1 . 2]" 2
951 1 43 PHE HA 1 44 VAL MG1 . . 4.640 3.542 3.335 3.731 . 0 0 "[ . 1 . 2]" 2
952 1 37 ARG HA 1 43 PHE HA . . 5.500 4.687 4.510 4.978 . 0 0 "[ . 1 . 2]" 2
953 1 52 LYS HA 1 73 PRO QD . . 5.500 4.533 4.347 5.030 . 0 0 "[ . 1 . 2]" 2
954 1 35 PHE QD 1 36 LYS HG2 . . 4.920 3.102 2.707 4.187 . 0 0 "[ . 1 . 2]" 2
955 1 36 LYS HG2 1 43 PHE QD . . 5.500 5.250 4.277 5.502 0.002 7 0 "[ . 1 . 2]" 2
956 1 35 PHE QD 1 36 LYS HG3 . . 4.920 4.051 2.863 4.798 . 0 0 "[ . 1 . 2]" 2
957 1 36 LYS HG3 1 43 PHE QD . . 5.500 4.512 3.441 5.517 0.017 15 0 "[ . 1 . 2]" 2
958 1 36 LYS HA 1 36 LYS HG3 . . 4.070 3.382 2.462 3.679 . 0 0 "[ . 1 . 2]" 2
959 1 35 PHE QD 1 36 LYS HA . . 3.820 2.597 2.478 2.720 . 0 0 "[ . 1 . 2]" 2
960 1 36 LYS HA 1 36 LYS HG2 . . 4.070 2.491 2.189 2.700 . 0 0 "[ . 1 . 2]" 2
961 1 36 LYS HA 1 36 LYS QE . . 4.080 3.700 2.048 4.134 0.054 17 0 "[ . 1 . 2]" 2
962 1 36 LYS HA 1 40 ASP HB2 . . 4.220 2.306 1.991 3.145 . 0 0 "[ . 1 . 2]" 2
963 1 36 LYS HA 1 40 ASP HB3 . . 4.220 2.874 1.998 3.596 . 0 0 "[ . 1 . 2]" 2
964 1 55 LYS HA 1 55 LYS HG3 . . 3.900 2.549 2.267 2.811 . 0 0 "[ . 1 . 2]" 2
965 1 32 ASP HA 1 33 MET QB . . 5.490 5.442 5.377 5.498 0.008 18 0 "[ . 1 . 2]" 2
966 1 55 LYS HA 1 56 THR MG . . 4.130 3.851 3.637 4.081 . 0 0 "[ . 1 . 2]" 2
967 1 14 LYS HA 1 14 LYS HG3 . . 4.040 2.648 2.220 2.830 . 0 0 "[ . 1 . 2]" 2
968 1 14 LYS HA 1 14 LYS HG2 . . 4.070 2.896 2.704 3.485 . 0 0 "[ . 1 . 2]" 2
969 1 14 LYS HG2 1 26 ARG HA . . 4.420 2.829 2.305 3.097 . 0 0 "[ . 1 . 2]" 2
970 1 15 PRO HD3 1 26 ARG HA . . 4.480 3.731 3.387 4.252 . 0 0 "[ . 1 . 2]" 2
971 1 32 ASP HA 1 35 PHE HB2 . . 4.400 4.228 4.083 4.403 0.003 20 0 "[ . 1 . 2]" 2
972 1 32 ASP HA 1 35 PHE HB3 . . 3.940 3.777 3.648 3.905 . 0 0 "[ . 1 . 2]" 2
973 1 31 LEU HB3 1 32 ASP HA . . 5.230 4.613 4.537 4.716 . 0 0 "[ . 1 . 2]" 2
974 1 31 LEU HG 1 32 ASP HA . . 4.220 3.568 3.352 3.725 . 0 0 "[ . 1 . 2]" 2
975 1 31 LEU MD1 1 32 ASP HA . . 4.930 4.243 4.093 4.414 . 0 0 "[ . 1 . 2]" 2
976 1 37 ARG HA 1 37 ARG QD . . 4.170 3.993 3.734 4.197 0.027 9 0 "[ . 1 . 2]" 2
977 1 36 LYS HB3 1 37 ARG HA . . 5.000 4.404 4.318 4.553 . 0 0 "[ . 1 . 2]" 2
978 1 37 ARG HA 1 37 ARG HG2 . . 3.970 3.217 2.761 3.687 . 0 0 "[ . 1 . 2]" 2
979 1 37 ARG HA 1 37 ARG HG3 . . 3.970 2.672 2.471 2.925 . 0 0 "[ . 1 . 2]" 2
980 1 37 ARG HA 1 38 TYR QD . . 5.130 4.699 4.553 4.826 . 0 0 "[ . 1 . 2]" 2
981 1 31 LEU HA 1 35 PHE H . . 4.630 4.173 4.015 4.303 . 0 0 "[ . 1 . 2]" 2
982 1 25 PHE QD 1 31 LEU HA . . 4.010 3.242 3.156 3.343 . 0 0 "[ . 1 . 2]" 2
983 1 25 PHE QE 1 31 LEU HA . . 4.130 3.180 3.087 3.292 . 0 0 "[ . 1 . 2]" 2
984 1 25 PHE HB2 1 31 LEU HA . . 4.570 3.893 3.708 4.008 . 0 0 "[ . 1 . 2]" 2
985 1 31 LEU HA 1 31 LEU HG . . 4.040 3.384 3.355 3.441 . 0 0 "[ . 1 . 2]" 2
986 1 31 LEU HA 1 31 LEU MD2 . . 4.170 3.918 3.855 3.985 . 0 0 "[ . 1 . 2]" 2
987 1 23 LYS HA 1 23 LYS QG . . 3.260 2.538 2.471 2.590 . 0 0 "[ . 1 . 2]" 2
988 1 23 LYS HA 1 23 LYS HD3 . . 4.340 2.780 2.389 3.482 . 0 0 "[ . 1 . 2]" 2
989 1 76 VAL MG1 1 77 GLU HA . . 5.500 4.228 3.389 5.478 . 0 0 "[ . 1 . 2]" 2
990 1 76 VAL MG2 1 77 GLU HA . . 5.500 4.232 3.140 5.534 0.034 5 0 "[ . 1 . 2]" 2
991 1 13 GLU HA 1 14 LYS HB2 . . 5.110 4.591 4.418 4.927 . 0 0 "[ . 1 . 2]" 2
992 1 13 GLU HA 1 14 LYS HG3 . . 5.020 4.154 3.513 5.057 0.037 14 0 "[ . 1 . 2]" 2
993 1 30 LEU HA 1 33 MET HG2 . . 4.820 2.290 1.993 2.947 . 0 0 "[ . 1 . 2]" 2
994 1 30 LEU HA 1 30 LEU HG . . 3.820 3.350 2.471 3.755 . 0 0 "[ . 1 . 2]" 2
995 1 57 PHE QD 1 62 THR MG . . 3.440 2.368 1.989 2.796 . 0 0 "[ . 1 . 2]" 2
996 1 57 PHE QE 1 62 THR MG . . 3.810 3.070 2.522 3.386 . 0 0 "[ . 1 . 2]" 2
997 1 57 PHE HB3 1 62 THR MG . . 4.330 3.751 3.357 4.004 . 0 0 "[ . 1 . 2]" 2
998 1 62 THR MG 1 66 HIS HB2 . . 5.030 3.777 3.389 4.075 . 0 0 "[ . 1 . 2]" 2
999 1 57 PHE HB2 1 62 THR MG . . 5.290 5.008 4.688 5.276 . 0 0 "[ . 1 . 2]" 2
1000 1 62 THR MG 1 65 ARG QB . . 4.300 3.987 3.622 4.257 . 0 0 "[ . 1 . 2]" 2
1001 1 13 GLU HA 1 15 PRO HD3 . . 5.490 5.174 4.672 5.543 0.053 14 0 "[ . 1 . 2]" 2
1002 1 13 GLU HA 1 13 GLU QG . . 3.840 2.688 2.122 3.513 . 0 0 "[ . 1 . 2]" 2
1003 1 30 LEU HA 1 34 HIS H . . 5.020 3.979 3.729 4.191 . 0 0 "[ . 1 . 2]" 2
1004 1 30 LEU HA 1 33 MET H . . 4.270 3.562 3.518 3.601 . 0 0 "[ . 1 . 2]" 2
1005 1 30 LEU HA 1 33 MET HG3 . . 4.820 2.956 2.276 3.429 . 0 0 "[ . 1 . 2]" 2
1006 1 29 GLN QG 1 30 LEU HA . . 5.090 3.667 3.237 4.741 . 0 0 "[ . 1 . 2]" 2
1007 1 30 LEU HA 1 33 MET ME . . 3.420 2.938 2.088 3.420 . 0 0 "[ . 1 . 2]" 2
1008 1 25 PHE HB3 1 30 LEU HA . . 5.110 4.767 4.593 4.986 . 0 0 "[ . 1 . 2]" 2
1009 1 62 THR MG 1 66 HIS H . . 5.500 4.125 3.641 4.467 . 0 0 "[ . 1 . 2]" 2
1010 1 62 THR MG 1 66 HIS HB3 . . 5.200 4.183 3.806 4.515 . 0 0 "[ . 1 . 2]" 2
1011 1 57 PHE HZ 1 62 THR MG . . 5.310 5.043 4.720 5.287 . 0 0 "[ . 1 . 2]" 2
1012 1 25 PHE H 1 31 LEU MD1 . . 4.850 4.803 4.449 4.863 0.013 11 0 "[ . 1 . 2]" 2
1013 1 18 CYS H 1 31 LEU MD1 . . 3.790 2.765 2.432 3.153 . 0 0 "[ . 1 . 2]" 2
1014 1 31 LEU MD1 1 34 HIS HD2 . . 3.400 2.600 2.282 2.806 . 0 0 "[ . 1 . 2]" 2
1015 1 25 PHE QD 1 31 LEU MD1 . . 3.330 2.680 2.478 2.878 . 0 0 "[ . 1 . 2]" 2
1016 1 25 PHE QE 1 31 LEU MD1 . . 3.380 2.027 1.943 2.284 . 0 0 "[ . 1 . 2]" 2
1017 1 18 CYS HA 1 31 LEU MD1 . . 3.240 2.081 1.963 2.315 . 0 0 "[ . 1 . 2]" 2
1018 1 31 LEU MD1 1 34 HIS HB3 . . 3.610 3.279 3.008 3.440 . 0 0 "[ . 1 . 2]" 2
1019 1 31 LEU HA 1 31 LEU MD1 . . 3.190 2.205 1.940 2.427 . 0 0 "[ . 1 . 2]" 2
1020 1 18 CYS HB2 1 31 LEU MD1 . . 3.460 2.065 1.874 2.311 . 0 0 "[ . 1 . 2]" 2
1021 1 16 TYR QD 1 31 LEU MD1 . . 5.500 5.303 5.028 5.555 0.055 19 0 "[ . 1 . 2]" 2
1022 1 25 PHE HZ 1 31 LEU MD1 . . 4.830 3.516 3.163 3.736 . 0 0 "[ . 1 . 2]" 2
1023 1 58 THR HA 1 58 THR MG . . 3.250 2.596 2.251 3.205 . 0 0 "[ . 1 . 2]" 2
1024 1 58 THR MG 1 59 ARG H . . 5.270 3.462 1.921 4.305 . 0 0 "[ . 1 . 2]" 2
1025 1 31 LEU MD1 1 35 PHE HA . . 4.930 4.743 4.520 4.894 . 0 0 "[ . 1 . 2]" 2
1026 1 66 HIS HD2 1 67 ALA HA . . 3.870 3.449 3.167 3.731 . 0 0 "[ . 1 . 2]" 2
1027 1 67 ALA HA 1 70 CYS HB3 . . 3.470 2.059 1.993 2.292 . 0 0 "[ . 1 . 2]" 2
1028 1 67 ALA HA 1 70 CYS HB2 . . 3.430 2.557 2.229 2.905 . 0 0 "[ . 1 . 2]" 2
1029 1 64 ALA HA 1 65 ARG QG . . 5.380 5.203 5.091 5.364 . 0 0 "[ . 1 . 2]" 2
1030 1 50 CYS H 1 56 THR MG . . 4.780 4.656 4.368 4.798 0.018 2 0 "[ . 1 . 2]" 2
1031 1 49 VAL H 1 56 THR MG . . 5.500 5.050 4.745 5.233 . 0 0 "[ . 1 . 2]" 2
1032 1 55 LYS H 1 56 THR MG . . 5.500 5.356 5.102 5.528 0.028 18 0 "[ . 1 . 2]" 2
1033 1 48 PHE H 1 56 THR MG . . 5.220 5.053 4.785 5.197 . 0 0 "[ . 1 . 2]" 2
1034 1 56 THR H 1 56 THR MG . . 3.490 2.990 2.691 3.239 . 0 0 "[ . 1 . 2]" 2
1035 1 56 THR HA 1 56 THR MG . . 3.250 2.227 2.124 2.296 . 0 0 "[ . 1 . 2]" 2
1036 1 47 ALA HA 1 56 THR MG . . 5.320 5.287 5.138 5.332 0.012 1 0 "[ . 1 . 2]" 2
1037 1 17 ALA MB 1 25 PHE H . . 4.860 4.561 4.386 4.804 . 0 0 "[ . 1 . 2]" 2
1038 1 17 ALA MB 1 18 CYS H . . 3.450 3.256 3.085 3.356 . 0 0 "[ . 1 . 2]" 2
1039 1 17 ALA MB 1 24 THR HA . . 3.900 3.419 3.241 3.676 . 0 0 "[ . 1 . 2]" 2
1040 1 16 TYR HA 1 17 ALA MB . . 4.260 4.083 4.038 4.126 . 0 0 "[ . 1 . 2]" 2
1041 1 17 ALA MB 1 18 CYS HB3 . . 5.010 4.904 4.805 4.984 . 0 0 "[ . 1 . 2]" 2
1042 1 70 CYS HA 1 71 ALA MB . . 4.150 3.856 3.756 3.965 . 0 0 "[ . 1 . 2]" 2
1043 1 20 HIS HA 1 20 HIS HD2 . . 4.860 4.206 4.086 4.382 . 0 0 "[ . 1 . 2]" 2
1044 1 46 ALA MB 1 48 PHE QE . . 4.560 1.986 1.819 2.278 . 0 0 "[ . 1 . 2]" 2
1045 1 20 HIS HD2 1 39 HIS HB2 . . 5.400 4.863 4.471 5.151 . 0 0 "[ . 1 . 2]" 2
1046 1 16 TYR QE 1 28 LYS H . . 4.560 3.344 3.199 3.511 . 0 0 "[ . 1 . 2]" 2
1047 1 15 PRO HD2 1 16 TYR QE . . 4.600 3.683 3.368 4.105 . 0 0 "[ . 1 . 2]" 2
1048 1 15 PRO HG2 1 16 TYR QE . . 4.520 2.505 2.333 2.641 . 0 0 "[ . 1 . 2]" 2
1049 1 15 PRO HG3 1 16 TYR QE . . 4.520 3.308 3.179 3.445 . 0 0 "[ . 1 . 2]" 2
1050 1 16 TYR QE 1 28 LYS HB2 . . 4.010 2.506 1.997 3.776 . 0 0 "[ . 1 . 2]" 2
1051 1 16 TYR QE 1 28 LYS HB3 . . 4.010 3.225 2.007 3.818 . 0 0 "[ . 1 . 2]" 2
1052 1 34 HIS HE1 1 38 TYR QE . . 4.970 4.596 4.229 4.742 . 0 0 "[ . 1 . 2]" 2
1053 1 34 HIS HA 1 38 TYR QE . . 4.190 3.967 3.146 4.203 0.013 18 0 "[ . 1 . 2]" 2
1054 1 37 ARG QD 1 38 TYR QE . . 3.570 2.587 1.925 3.509 . 0 0 "[ . 1 . 2]" 2
1055 1 15 PRO HB2 1 16 TYR QE . . 4.740 4.361 4.228 4.547 . 0 0 "[ . 1 . 2]" 2
1056 1 37 ARG HB3 1 38 TYR QE . . 4.250 3.944 3.772 4.079 . 0 0 "[ . 1 . 2]" 2
1057 1 37 ARG HG2 1 38 TYR QE . . 4.720 3.384 2.796 4.217 . 0 0 "[ . 1 . 2]" 2
1058 1 46 ALA HA 1 48 PHE H . . 5.500 5.463 5.427 5.514 0.014 3 0 "[ . 1 . 2]" 2
1059 1 47 ALA HA 1 48 PHE QD . . 4.750 3.592 3.219 3.927 . 0 0 "[ . 1 . 2]" 2
1060 1 47 ALA HA 1 48 PHE HB2 . . 5.070 4.671 4.623 4.725 . 0 0 "[ . 1 . 2]" 2
1061 1 45 PRO HG2 1 46 ALA HA . . 5.500 5.358 5.281 5.410 . 0 0 "[ . 1 . 2]" 2
1062 1 67 ALA H 1 67 ALA MB . . 3.170 2.119 2.027 2.247 . 0 0 "[ . 1 . 2]" 2
1063 1 64 ALA H 1 67 ALA MB . . 5.130 4.865 4.598 5.058 . 0 0 "[ . 1 . 2]" 2
1064 1 67 ALA MB 1 68 ASP H . . 3.600 2.568 2.351 2.761 . 0 0 "[ . 1 . 2]" 2
1065 1 50 CYS HA 1 67 ALA MB . . 4.620 4.172 3.482 4.447 . 0 0 "[ . 1 . 2]" 2
1066 1 67 ALA MB 1 68 ASP HA . . 4.390 3.724 3.610 3.828 . 0 0 "[ . 1 . 2]" 2
1067 1 66 HIS HA 1 67 ALA MB . . 5.210 4.998 4.977 5.022 . 0 0 "[ . 1 . 2]" 2
1068 1 65 ARG HA 1 67 ALA MB . . 5.100 4.618 4.376 5.074 . 0 0 "[ . 1 . 2]" 2
1069 1 50 CYS HB3 1 67 ALA MB . . 5.500 5.393 4.777 5.512 0.012 19 0 "[ . 1 . 2]" 2
1070 1 67 ALA MB 1 70 CYS HB3 . . 4.010 3.544 3.453 3.643 . 0 0 "[ . 1 . 2]" 2
1071 1 52 LYS H 1 67 ALA MB . . 5.150 4.212 3.871 4.498 . 0 0 "[ . 1 . 2]" 2
1072 1 67 ALA MB 1 70 CYS H . . 4.340 4.268 4.150 4.346 0.006 1 0 "[ . 1 . 2]" 2
1073 1 66 HIS HD2 1 67 ALA MB . . 4.020 3.788 3.345 4.019 . 0 0 "[ . 1 . 2]" 2
1074 1 52 LYS QE 1 67 ALA MB . . 4.360 3.365 2.487 4.367 0.007 14 0 "[ . 1 . 2]" 2
1075 1 63 MET ME 1 67 ALA MB . . 4.790 4.182 3.262 4.773 . 0 0 "[ . 1 . 2]" 2
1076 1 38 TYR HA 1 38 TYR QE . . 4.660 4.597 4.575 4.622 . 0 0 "[ . 1 . 2]" 2
1077 1 64 ALA MB 1 67 ALA H . . 5.080 4.759 4.649 4.911 . 0 0 "[ . 1 . 2]" 2
1078 1 64 ALA MB 1 66 HIS H . . 5.320 4.513 4.425 4.651 . 0 0 "[ . 1 . 2]" 2
1079 1 64 ALA MB 1 68 ASP H . . 5.500 5.228 4.814 5.497 . 0 0 "[ . 1 . 2]" 2
1080 1 63 MET H 1 64 ALA MB . . 4.920 4.330 4.149 4.562 . 0 0 "[ . 1 . 2]" 2
1081 1 61 ASN HA 1 64 ALA MB . . 3.320 2.730 2.542 3.179 . 0 0 "[ . 1 . 2]" 2
1082 1 64 ALA MB 1 65 ARG HA . . 4.350 3.733 3.648 3.813 . 0 0 "[ . 1 . 2]" 2
1083 1 60 ARG QD 1 64 ALA MB . . 4.720 3.258 2.011 4.656 . 0 0 "[ . 1 . 2]" 2
1084 1 61 ASN QB 1 64 ALA MB . . 4.590 4.320 4.025 4.588 . 0 0 "[ . 1 . 2]" 2
1085 1 63 MET HA 1 64 ALA MB . . 5.230 5.015 4.985 5.029 . 0 0 "[ . 1 . 2]" 2
1086 1 40 ASP HB2 1 41 PRO HD2 . . 4.840 4.335 4.071 4.491 . 0 0 "[ . 1 . 2]" 2
1087 1 41 PRO HD2 1 42 ASN QB . . 5.340 4.642 4.301 4.901 . 0 0 "[ . 1 . 2]" 2
1088 1 40 ASP HB3 1 41 PRO HD2 . . 4.840 3.734 3.106 4.379 . 0 0 "[ . 1 . 2]" 2
1089 1 40 ASP H 1 41 PRO HD2 . . 5.000 4.634 4.515 4.708 . 0 0 "[ . 1 . 2]" 2
1090 1 40 ASP H 1 41 PRO HD3 . . 4.970 4.244 4.015 4.400 . 0 0 "[ . 1 . 2]" 2
1091 1 40 ASP HB2 1 41 PRO HD3 . . 5.180 5.022 4.845 5.134 . 0 0 "[ . 1 . 2]" 2
1092 1 40 ASP HB3 1 41 PRO HD3 . . 5.180 4.706 4.336 5.051 . 0 0 "[ . 1 . 2]" 2
1093 1 43 PHE HA 1 45 PRO QD . . 5.310 5.222 5.019 5.316 0.006 6 0 "[ . 1 . 2]" 2
1094 1 50 CYS H 1 63 MET ME . . 4.800 4.251 3.871 4.753 . 0 0 "[ . 1 . 2]" 2
1095 1 49 VAL H 1 63 MET ME . . 4.100 3.597 3.056 4.069 . 0 0 "[ . 1 . 2]" 2
1096 1 63 MET ME 1 64 ALA H . . 4.130 3.695 2.902 4.046 . 0 0 "[ . 1 . 2]" 2
1097 1 48 PHE QE 1 63 MET ME . . 4.890 4.762 4.594 4.912 0.022 19 0 "[ . 1 . 2]" 2
1098 1 48 PHE QD 1 63 MET ME . . 3.580 2.935 2.705 3.265 . 0 0 "[ . 1 . 2]" 2
1099 1 57 PHE QE 1 63 MET ME . . 5.500 5.306 5.001 5.563 0.063 19 0 "[ . 1 . 2]" 2
1100 1 50 CYS HA 1 63 MET ME . . 4.060 2.967 2.776 3.116 . 0 0 "[ . 1 . 2]" 2
1101 1 63 MET ME 1 64 ALA HA . . 4.120 3.728 2.842 4.098 . 0 0 "[ . 1 . 2]" 2
1102 1 50 CYS HB3 1 63 MET ME . . 5.500 5.447 5.285 5.517 0.017 3 0 "[ . 1 . 2]" 2
1103 1 57 PHE HB3 1 63 MET ME . . 5.500 5.434 5.222 5.517 0.017 16 0 "[ . 1 . 2]" 2
1104 1 48 PHE HB3 1 63 MET ME . . 3.400 2.198 1.986 2.858 . 0 0 "[ . 1 . 2]" 2
1105 1 60 ARG HA 1 63 MET ME . . 3.850 3.714 3.533 3.865 0.015 6 0 "[ . 1 . 2]" 2
1106 1 48 PHE HB2 1 63 MET ME . . 3.920 3.539 3.263 3.932 0.012 3 0 "[ . 1 . 2]" 2
1107 1 63 MET HA 1 63 MET ME . . 4.780 4.487 3.789 4.725 . 0 0 "[ . 1 . 2]" 2
1108 1 63 MET HB2 1 63 MET ME . . 3.650 3.413 3.200 3.535 . 0 0 "[ . 1 . 2]" 2
1109 1 57 PHE HB2 1 63 MET ME . . 4.680 4.289 4.099 4.560 . 0 0 "[ . 1 . 2]" 2
1110 1 43 PHE QD 1 45 PRO QD . . 4.490 2.493 2.136 2.654 . 0 0 "[ . 1 . 2]" 2
1111 1 14 LYS HG2 1 15 PRO HD3 . . 5.480 5.249 5.041 5.551 0.071 14 0 "[ . 1 . 2]" 2
1112 1 15 PRO HD3 1 16 TYR H . . 4.610 3.845 3.836 3.889 . 0 0 "[ . 1 . 2]" 2
1113 1 15 PRO HD3 1 16 TYR QD . . 4.650 4.180 4.094 4.270 . 0 0 "[ . 1 . 2]" 2
1114 1 14 LYS HA 1 15 PRO HD3 . . 3.090 2.459 2.279 2.570 . 0 0 "[ . 1 . 2]" 2
1115 1 14 LYS HB3 1 15 PRO HD3 . . 4.760 4.632 4.218 4.804 0.044 17 0 "[ . 1 . 2]" 2
1116 1 14 LYS HG3 1 15 PRO HD3 . . 5.050 4.884 4.208 5.070 0.020 7 0 "[ . 1 . 2]" 2
1117 1 14 LYS HG3 1 15 PRO HD2 . . 4.870 4.366 3.355 4.685 . 0 0 "[ . 1 . 2]" 2
1118 1 14 LYS HG2 1 15 PRO HD2 . . 4.890 4.159 3.886 4.361 . 0 0 "[ . 1 . 2]" 2
1119 1 14 LYS HA 1 15 PRO HD2 . . 3.220 1.937 1.912 2.045 . 0 0 "[ . 1 . 2]" 2
1120 1 15 PRO HD2 1 26 ARG HA . . 3.580 2.321 1.996 2.822 . 0 0 "[ . 1 . 2]" 2
1121 1 33 MET H 1 33 MET ME . . 4.960 4.545 4.086 4.731 . 0 0 "[ . 1 . 2]" 2
1122 1 33 MET ME 1 37 ARG QD . . 4.800 3.465 2.641 4.797 . 0 0 "[ . 1 . 2]" 2
1123 1 53 CYS H 1 73 PRO QD . . 5.220 4.583 4.357 4.904 . 0 0 "[ . 1 . 2]" 2
1124 1 53 CYS HA 1 73 PRO QD . . 3.800 2.264 2.006 2.723 . 0 0 "[ . 1 . 2]" 2
1125 1 72 GLY HA3 1 73 PRO QD . . 3.030 2.083 1.989 2.193 . 0 0 "[ . 1 . 2]" 2
1126 1 82 GLY HA2 1 83 PRO QD . . 3.890 2.277 1.899 3.471 . 0 0 "[ . 1 . 2]" 2
1127 1 82 GLY HA3 1 83 PRO QD . . 3.890 2.708 1.865 3.467 . 0 0 "[ . 1 . 2]" 2
1128 1 24 THR MG 1 25 PHE H . . 3.840 3.722 3.615 3.825 . 0 0 "[ . 1 . 2]" 2
1129 1 24 THR MG 1 25 PHE QD . . 4.680 4.613 4.419 4.699 0.019 10 0 "[ . 1 . 2]" 2
1130 1 24 THR MG 1 25 PHE QE . . 5.010 4.954 4.770 5.028 0.018 9 0 "[ . 1 . 2]" 2
1131 1 14 LYS HA 1 24 THR MG . . 5.500 5.466 5.362 5.547 0.047 6 0 "[ . 1 . 2]" 2
1132 1 16 TYR HA 1 24 THR MG . . 5.500 5.474 5.386 5.515 0.015 12 0 "[ . 1 . 2]" 2
1133 1 24 THR HA 1 24 THR MG . . 3.140 2.277 2.162 2.370 . 0 0 "[ . 1 . 2]" 2
1134 1 49 VAL HB 1 56 THR MG . . 4.610 4.134 2.293 4.671 0.061 18 0 "[ . 1 . 2]" 2
1135 1 17 ALA MB 1 24 THR MG . . 3.010 2.015 1.852 2.231 . 0 0 "[ . 1 . 2]" 2
1136 1 30 LEU HB3 1 30 LEU MD2 . . 3.380 2.874 2.169 3.192 . 0 0 "[ . 1 . 2]" 2
1137 1 29 GLN QG 1 30 LEU MD2 . . 5.320 3.826 2.837 5.319 . 0 0 "[ . 1 . 2]" 2
1138 1 30 LEU HA 1 30 LEU MD2 . . 4.010 2.914 2.014 3.813 . 0 0 "[ . 1 . 2]" 2
1139 1 30 LEU H 1 30 LEU MD2 . . 3.880 2.515 1.807 3.895 0.015 5 0 "[ . 1 . 2]" 2
1140 1 30 LEU MD2 1 31 LEU H . . 4.650 4.160 3.720 4.646 . 0 0 "[ . 1 . 2]" 2
1141 1 25 PHE QD 1 30 LEU MD2 . . 4.480 4.031 2.395 4.539 0.059 20 0 "[ . 1 . 2]" 2
1142 1 31 LEU HA 1 34 HIS HB3 . . 3.590 2.333 2.285 2.406 . 0 0 "[ . 1 . 2]" 2
1143 1 31 LEU HA 1 34 HIS HB2 . . 3.800 3.646 3.567 3.803 0.003 16 0 "[ . 1 . 2]" 2
1144 1 16 TYR HB3 1 31 LEU MD2 . . 3.280 1.899 1.771 1.957 . 0 0 "[ . 1 . 2]" 2
1145 1 16 TYR HB2 1 31 LEU MD2 . . 3.680 3.115 2.911 3.289 . 0 0 "[ . 1 . 2]" 2
1146 1 31 LEU HB3 1 31 LEU MD2 . . 3.510 2.317 2.197 2.458 . 0 0 "[ . 1 . 2]" 2
1147 1 16 TYR HA 1 31 LEU MD2 . . 4.290 3.211 3.037 3.345 . 0 0 "[ . 1 . 2]" 2
1148 1 18 CYS HA 1 31 LEU MD2 . . 4.460 2.774 2.205 3.276 . 0 0 "[ . 1 . 2]" 2
1149 1 31 LEU MD2 1 32 ASP HA . . 5.060 4.923 4.699 5.058 . 0 0 "[ . 1 . 2]" 2
1150 1 25 PHE QE 1 31 LEU MD2 . . 4.440 3.890 3.702 4.131 . 0 0 "[ . 1 . 2]" 2
1151 1 16 TYR H 1 31 LEU MD2 . . 4.910 4.769 4.686 4.920 0.010 9 0 "[ . 1 . 2]" 2
1152 1 18 CYS H 1 31 LEU MD2 . . 4.500 3.384 3.022 3.710 . 0 0 "[ . 1 . 2]" 2
1153 1 37 ARG H 1 37 ARG HG3 . . 4.850 4.595 4.434 4.699 . 0 0 "[ . 1 . 2]" 2
1154 1 37 ARG HG3 1 38 TYR QE . . 4.720 4.607 4.325 4.856 0.136 19 0 "[ . 1 . 2]" 2
1155 1 37 ARG HB3 1 37 ARG QD . . 3.870 2.420 2.061 3.007 . 0 0 "[ . 1 . 2]" 2
1156 1 37 ARG HB2 1 37 ARG QD . . 3.790 2.464 2.191 3.013 . 0 0 "[ . 1 . 2]" 2
1157 1 44 VAL H 1 44 VAL MG2 . . 4.020 3.916 3.830 3.993 . 0 0 "[ . 1 . 2]" 2
1158 1 43 PHE QD 1 44 VAL MG2 . . 4.820 4.648 4.527 4.732 . 0 0 "[ . 1 . 2]" 2
1159 1 44 VAL HA 1 44 VAL MG2 . . 3.110 2.381 2.270 2.502 . 0 0 "[ . 1 . 2]" 2
1160 1 44 VAL MG2 1 45 PRO QD . . 3.400 2.335 2.057 2.591 . 0 0 "[ . 1 . 2]" 2
1161 1 45 PRO HG2 1 47 ALA MB . . 4.520 3.974 3.619 4.397 . 0 0 "[ . 1 . 2]" 2
1162 1 47 ALA MB 1 48 PHE QE . . 5.150 5.117 4.973 5.156 0.006 17 0 "[ . 1 . 2]" 2
1163 1 47 ALA MB 1 57 PHE H . . 5.500 5.331 4.598 5.511 0.011 2 0 "[ . 1 . 2]" 2
1164 1 49 VAL H 1 49 VAL MG1 . . 4.480 3.449 1.997 3.740 . 0 0 "[ . 1 . 2]" 2
1165 1 49 VAL MG1 1 56 THR HA . . 4.260 3.696 3.272 4.262 0.002 2 0 "[ . 1 . 2]" 2
1166 1 49 VAL MG1 1 50 CYS HB2 . . 5.500 4.234 3.742 5.522 0.022 3 0 "[ . 1 . 2]" 2
1167 1 49 VAL MG1 1 50 CYS H . . 4.030 2.548 2.148 3.883 . 0 0 "[ . 1 . 2]" 2
1168 1 49 VAL MG2 1 50 CYS HB2 . . 5.500 5.289 3.886 5.556 0.056 12 0 "[ . 1 . 2]" 2
1169 1 49 VAL MG2 1 56 THR HA . . 4.260 2.274 1.976 2.476 . 0 0 "[ . 1 . 2]" 2
1170 1 49 VAL H 1 49 VAL MG2 . . 4.480 3.013 2.668 3.871 . 0 0 "[ . 1 . 2]" 2
1171 1 55 LYS H 1 55 LYS HG3 . . 4.670 3.356 2.936 4.339 . 0 0 "[ . 1 . 2]" 2
1172 1 55 LYS HA 1 55 LYS HD2 . . 4.920 4.450 4.186 4.688 . 0 0 "[ . 1 . 2]" 2
1173 1 63 MET ME 1 64 ALA MB . . 4.170 3.951 3.245 4.176 0.006 4 0 "[ . 1 . 2]" 2
1174 1 64 ALA MB 1 65 ARG QB . . 4.330 4.221 4.158 4.299 . 0 0 "[ . 1 . 2]" 2
1175 1 64 ALA MB 1 67 ALA MB . . 4.410 4.062 3.925 4.246 . 0 0 "[ . 1 . 2]" 2
1176 1 76 VAL H 1 76 VAL MG1 . . 4.480 2.817 1.878 3.920 . 0 0 "[ . 1 . 2]" 2
1177 1 57 PHE QE 1 66 HIS HB3 . . 4.630 3.459 2.872 3.831 . 0 0 "[ . 1 . 2]" 2
1178 1 20 HIS HD2 1 39 HIS HE1 . . 5.460 4.398 3.990 5.126 . 0 0 "[ . 1 . 2]" 2
1179 1 48 PHE QE 1 60 ARG HB2 . . 5.030 2.945 2.498 4.658 . 0 0 "[ . 1 . 2]" 2
1180 1 48 PHE HZ 1 60 ARG HB2 . . 5.500 3.086 2.699 4.756 . 0 0 "[ . 1 . 2]" 2
1181 1 48 PHE QD 1 60 ARG HB2 . . 5.420 3.554 2.921 5.408 . 0 0 "[ . 1 . 2]" 2
1182 1 15 PRO HD3 1 16 TYR QE . . 5.330 4.706 4.478 5.043 . 0 0 "[ . 1 . 2]" 2
1183 1 20 HIS HD2 1 39 HIS HB3 . . 5.400 3.676 3.202 3.984 . 0 0 "[ . 1 . 2]" 2
1184 1 76 VAL MG2 1 77 GLU H . . 4.810 3.000 1.938 4.297 . 0 0 "[ . 1 . 2]" 2
1185 1 76 VAL HA 1 76 VAL MG2 . . 3.620 2.472 2.138 3.198 . 0 0 "[ . 1 . 2]" 2
1186 1 18 CYS HB2 1 20 HIS H . . 5.500 5.139 4.369 5.463 . 0 0 "[ . 1 . 2]" 2
1187 1 18 CYS HB2 1 31 LEU MD2 . . 5.240 3.818 3.574 4.143 . 0 0 "[ . 1 . 2]" 2
1188 1 66 HIS HE1 1 70 CYS HB3 . . 5.430 5.065 4.653 5.413 . 0 0 "[ . 1 . 2]" 2
1189 1 52 LYS QE 1 70 CYS HB2 . . 5.410 5.110 4.539 5.465 0.055 14 0 "[ . 1 . 2]" 2
1190 1 31 LEU H 1 31 LEU HG . . 4.720 4.303 4.222 4.358 . 0 0 "[ . 1 . 2]" 2
1191 1 31 LEU HG 1 35 PHE HB2 . . 4.940 4.626 4.526 4.777 . 0 0 "[ . 1 . 2]" 2
1192 1 25 PHE QD 1 31 LEU HG . . 5.070 4.630 4.511 4.829 . 0 0 "[ . 1 . 2]" 2
1193 1 17 ALA MB 1 24 THR HB . . 4.080 3.743 3.572 3.997 . 0 0 "[ . 1 . 2]" 2
1194 1 14 LYS HB3 1 24 THR HB . . 3.960 2.351 2.131 2.834 . 0 0 "[ . 1 . 2]" 2
1195 1 14 LYS HB3 1 15 PRO HD2 . . 4.110 3.555 2.948 3.828 . 0 0 "[ . 1 . 2]" 2
1196 1 44 VAL HA 1 44 VAL MG1 . . 3.340 3.194 3.178 3.202 . 0 0 "[ . 1 . 2]" 2
1197 1 44 VAL MG1 1 45 PRO QD . . 4.180 4.019 3.952 4.096 . 0 0 "[ . 1 . 2]" 2
1198 1 8 ARG HA 1 8 ARG QD . . 4.910 3.723 1.992 4.528 . 0 0 "[ . 1 . 2]" 2
1199 1 13 GLU HA 1 14 LYS QD . . 5.340 4.707 3.585 5.371 0.031 10 0 "[ . 1 . 2]" 2
1200 1 13 GLU QB 1 14 LYS H . . 4.430 3.228 1.979 3.937 . 0 0 "[ . 1 . 2]" 2
1201 1 14 LYS HA 1 15 PRO QG . . 4.110 3.779 3.766 3.807 . 0 0 "[ . 1 . 2]" 2
1202 1 14 LYS HG2 1 26 ARG QB . . 4.160 3.036 2.061 3.990 . 0 0 "[ . 1 . 2]" 2
1203 1 14 LYS HG2 1 26 ARG QG . . 4.340 3.455 2.172 4.060 . 0 0 "[ . 1 . 2]" 2
1204 1 14 LYS HG3 1 26 ARG QB . . 5.130 3.542 2.852 4.580 . 0 0 "[ . 1 . 2]" 2
1205 1 14 LYS QE 1 26 ARG QG . . 4.390 3.852 2.419 4.404 0.014 15 0 "[ . 1 . 2]" 2
1206 1 15 PRO QG 1 16 TYR H . . 4.020 2.377 2.059 2.765 . 0 0 "[ . 1 . 2]" 2
1207 1 15 PRO QG 1 16 TYR QD . . 3.820 2.157 1.982 2.460 . 0 0 "[ . 1 . 2]" 2
1208 1 15 PRO QG 1 16 TYR QE . . 3.790 2.434 2.277 2.561 . 0 0 "[ . 1 . 2]" 2
1209 1 15 PRO QG 1 26 ARG HA . . 4.370 3.863 3.587 4.227 . 0 0 "[ . 1 . 2]" 2
1210 1 16 TYR QD 1 28 LYS QB . . 4.810 3.008 2.739 3.363 . 0 0 "[ . 1 . 2]" 2
1211 1 16 TYR QD 1 28 LYS QG . . 5.340 3.857 2.296 4.970 . 0 0 "[ . 1 . 2]" 2
1212 1 16 TYR QD 1 28 LYS QD . . 5.340 3.834 2.191 5.272 . 0 0 "[ . 1 . 2]" 2
1213 1 16 TYR QE 1 28 LYS QB . . 3.440 2.097 1.987 2.316 . 0 0 "[ . 1 . 2]" 2
1214 1 18 CYS HA 1 19 SER QB . . 5.330 4.225 4.008 4.493 . 0 0 "[ . 1 . 2]" 2
1215 1 18 CYS HB2 1 23 LYS QB . . 4.630 2.951 2.770 3.177 . 0 0 "[ . 1 . 2]" 2
1216 1 18 CYS HB3 1 23 LYS QB . . 4.530 2.934 2.750 3.069 . 0 0 "[ . 1 . 2]" 2
1217 1 19 SER QB 1 20 HIS HA . . 5.340 3.980 3.772 4.513 . 0 0 "[ . 1 . 2]" 2
1218 1 19 SER QB 1 20 HIS HE1 . . 4.760 4.451 3.823 4.780 0.020 10 0 "[ . 1 . 2]" 2
1219 1 20 HIS H 1 20 HIS QB . . 3.410 2.293 2.170 2.410 . 0 0 "[ . 1 . 2]" 2
1220 1 20 HIS QB 1 21 CYS H . . 3.430 2.624 2.504 2.829 . 0 0 "[ . 1 . 2]" 2
1221 1 20 HIS QB 1 21 CYS HB3 . . 4.560 3.578 3.524 3.712 . 0 0 "[ . 1 . 2]" 2
1222 1 20 HIS QB 1 35 PHE QD . . 4.730 3.447 3.205 3.720 . 0 0 "[ . 1 . 2]" 2
1223 1 20 HIS QB 1 35 PHE QE . . 4.380 3.139 2.838 3.417 . 0 0 "[ . 1 . 2]" 2
1224 1 20 HIS QB 1 35 PHE HZ . . 5.140 4.800 4.557 5.113 . 0 0 "[ . 1 . 2]" 2
1225 1 20 HIS QB 1 39 HIS QB . . 5.180 4.264 4.077 4.453 . 0 0 "[ . 1 . 2]" 2
1226 1 20 HIS HD2 1 39 HIS QB . . 4.530 3.571 3.135 3.845 . 0 0 "[ . 1 . 2]" 2
1227 1 23 LYS H 1 23 LYS QB . . 3.370 2.389 2.334 2.434 . 0 0 "[ . 1 . 2]" 2
1228 1 23 LYS H 1 23 LYS QD . . 4.600 4.469 4.383 4.618 0.018 11 0 "[ . 1 . 2]" 2
1229 1 23 LYS H 1 23 LYS QE . . 5.340 5.040 4.022 5.371 0.031 7 0 "[ . 1 . 2]" 2
1230 1 23 LYS HA 1 23 LYS QD . . 3.530 2.653 2.334 3.277 . 0 0 "[ . 1 . 2]" 2
1231 1 23 LYS QB 1 23 LYS QD . . 3.210 2.112 2.013 2.222 . 0 0 "[ . 1 . 2]" 2
1232 1 23 LYS QB 1 24 THR H . . 3.320 2.663 2.461 2.865 . 0 0 "[ . 1 . 2]" 2
1233 1 23 LYS QB 1 25 PHE QD . . 4.750 4.142 4.062 4.184 . 0 0 "[ . 1 . 2]" 2
1234 1 23 LYS QB 1 25 PHE QE . . 4.130 2.629 2.497 2.712 . 0 0 "[ . 1 . 2]" 2
1235 1 23 LYS QB 1 25 PHE HZ . . 3.740 2.543 2.442 2.647 . 0 0 "[ . 1 . 2]" 2
1236 1 23 LYS QB 1 34 HIS HE1 . . 4.000 3.442 3.241 3.631 . 0 0 "[ . 1 . 2]" 2
1237 1 23 LYS QE 1 23 LYS QG . . 3.040 2.192 2.105 2.533 . 0 0 "[ . 1 . 2]" 2
1238 1 23 LYS QD 1 24 THR H . . 3.730 3.352 2.999 3.747 0.017 11 0 "[ . 1 . 2]" 2
1239 1 23 LYS QD 1 25 PHE QD . . 5.340 5.256 5.073 5.376 0.036 6 0 "[ . 1 . 2]" 2
1240 1 23 LYS QD 1 25 PHE HZ . . 4.480 3.584 3.280 3.929 . 0 0 "[ . 1 . 2]" 2
1241 1 23 LYS QD 1 34 HIS HE1 . . 4.380 3.641 3.102 4.056 . 0 0 "[ . 1 . 2]" 2
1242 1 23 LYS QE 1 24 THR H . . 5.330 4.711 2.706 5.367 0.037 7 0 "[ . 1 . 2]" 2
1243 1 23 LYS QE 1 25 PHE HZ . . 5.340 4.859 2.430 5.353 0.013 19 0 "[ . 1 . 2]" 2
1244 1 23 LYS QE 1 34 HIS HE1 . . 5.060 3.730 2.430 5.066 0.006 4 0 "[ . 1 . 2]" 2
1245 1 25 PHE HA 1 30 LEU QD . . 4.990 4.405 3.435 4.943 . 0 0 "[ . 1 . 2]" 2
1246 1 25 PHE HB2 1 30 LEU QD . . 4.550 4.166 3.623 4.418 . 0 0 "[ . 1 . 2]" 2
1247 1 25 PHE HB3 1 30 LEU QD . . 3.890 3.146 2.257 3.535 . 0 0 "[ . 1 . 2]" 2
1248 1 25 PHE QD 1 30 LEU QD . . 3.910 3.155 2.386 3.581 . 0 0 "[ . 1 . 2]" 2
1249 1 26 ARG HA 1 26 ARG QG . . 3.630 2.978 2.297 3.422 . 0 0 "[ . 1 . 2]" 2
1250 1 26 ARG HA 1 30 LEU QD . . 5.440 5.282 4.677 5.519 0.079 11 0 "[ . 1 . 2]" 2
1251 1 26 ARG QB 1 26 ARG QD . . 3.230 2.120 2.028 2.422 . 0 0 "[ . 1 . 2]" 2
1252 1 26 ARG QB 1 27 GLN H . . 3.710 2.871 2.142 3.762 0.052 7 0 "[ . 1 . 2]" 2
1253 1 26 ARG QB 1 27 GLN QG . . 4.600 3.229 2.643 4.191 . 0 0 "[ . 1 . 2]" 2
1254 1 26 ARG QB 1 30 LEU QD . . 4.570 4.005 3.214 4.596 0.026 20 0 "[ . 1 . 2]" 2
1255 1 26 ARG QG 1 27 GLN H . . 3.960 2.739 1.762 3.984 0.024 8 0 "[ . 1 . 2]" 2
1256 1 26 ARG QG 1 30 LEU QD . . 5.140 3.522 2.032 5.161 0.021 19 0 "[ . 1 . 2]" 2
1257 1 26 ARG QD 1 27 GLN QG . . 5.340 3.587 1.894 4.683 . 0 0 "[ . 1 . 2]" 2
1258 1 26 ARG QD 1 30 LEU QD . . 5.440 3.916 2.936 4.833 . 0 0 "[ . 1 . 2]" 2
1259 1 27 GLN H 1 27 GLN QG . . 4.080 2.957 2.647 3.585 . 0 0 "[ . 1 . 2]" 2
1260 1 27 GLN H 1 30 LEU QD . . 3.600 2.509 2.216 2.769 . 0 0 "[ . 1 . 2]" 2
1261 1 27 GLN HB2 1 30 LEU QD . . 3.710 1.975 1.851 2.437 . 0 0 "[ . 1 . 2]" 2
1262 1 27 GLN HB3 1 30 LEU QD . . 4.070 3.162 2.360 3.835 . 0 0 "[ . 1 . 2]" 2
1263 1 27 GLN QG 1 28 LYS H . . 5.160 4.108 3.379 4.598 . 0 0 "[ . 1 . 2]" 2
1264 1 27 GLN QG 1 30 LEU H . . 5.340 4.921 4.616 5.192 . 0 0 "[ . 1 . 2]" 2
1265 1 27 GLN QG 1 30 LEU QD . . 3.970 3.300 2.905 3.687 . 0 0 "[ . 1 . 2]" 2
1266 1 28 LYS H 1 28 LYS QG . . 4.890 3.457 2.174 4.029 . 0 0 "[ . 1 . 2]" 2
1267 1 28 LYS HA 1 28 LYS QG . . 3.570 2.865 2.330 3.434 . 0 0 "[ . 1 . 2]" 2
1268 1 28 LYS HA 1 28 LYS QD . . 4.760 3.518 2.108 4.364 . 0 0 "[ . 1 . 2]" 2
1269 1 28 LYS QB 1 28 LYS QD . . 3.320 2.176 2.090 2.546 . 0 0 "[ . 1 . 2]" 2
1270 1 28 LYS QB 1 28 LYS QE . . 4.350 3.424 2.078 3.772 . 0 0 "[ . 1 . 2]" 2
1271 1 28 LYS QG 1 29 GLN HA . . 5.030 3.543 3.143 4.077 . 0 0 "[ . 1 . 2]" 2
1272 1 29 GLN HA 1 29 GLN QE . . 5.090 4.208 2.039 4.917 . 0 0 "[ . 1 . 2]" 2
1273 1 29 GLN HB2 1 30 LEU QD . . 5.010 4.145 3.710 5.009 . 0 0 "[ . 1 . 2]" 2
1274 1 29 GLN HB3 1 30 LEU QD . . 3.750 2.723 2.319 3.812 0.062 18 0 "[ . 1 . 2]" 2
1275 1 29 GLN HB3 1 33 MET QG . . 5.340 5.038 4.673 5.342 0.002 18 0 "[ . 1 . 2]" 2
1276 1 29 GLN QG 1 30 LEU QD . . 3.820 3.187 2.638 3.817 . 0 0 "[ . 1 . 2]" 2
1277 1 29 GLN QG 1 33 MET QG . . 4.320 3.494 3.044 4.310 . 0 0 "[ . 1 . 2]" 2
1278 1 30 LEU H 1 33 MET QG . . 5.340 4.245 4.002 4.502 . 0 0 "[ . 1 . 2]" 2
1279 1 30 LEU HA 1 30 LEU QD . . 2.840 2.034 1.869 2.490 . 0 0 "[ . 1 . 2]" 2
1280 1 30 LEU HA 1 33 MET QG . . 4.240 2.122 1.967 2.336 . 0 0 "[ . 1 . 2]" 2
1281 1 30 LEU HB3 1 33 MET QG . . 5.200 4.086 3.853 4.233 . 0 0 "[ . 1 . 2]" 2
1282 1 30 LEU QD 1 31 LEU H . . 4.020 3.763 3.568 3.962 . 0 0 "[ . 1 . 2]" 2
1283 1 30 LEU QD 1 33 MET H . . 5.130 4.683 4.478 5.130 . 0 0 "[ . 1 . 2]" 2
1284 1 30 LEU QD 1 33 MET QG . . 4.120 3.129 2.805 3.812 . 0 0 "[ . 1 . 2]" 2
1285 1 30 LEU QD 1 33 MET ME . . 3.350 2.364 1.806 3.320 . 0 0 "[ . 1 . 2]" 2
1286 1 30 LEU QD 1 34 HIS H . . 5.440 4.881 4.309 5.429 . 0 0 "[ . 1 . 2]" 2
1287 1 33 MET H 1 33 MET QG . . 3.160 2.108 1.946 2.330 . 0 0 "[ . 1 . 2]" 2
1288 1 33 MET HA 1 33 MET QG . . 3.430 3.364 3.334 3.450 0.020 17 0 "[ . 1 . 2]" 2
1289 1 33 MET QG 1 34 HIS H . . 4.190 2.210 2.003 2.374 . 0 0 "[ . 1 . 2]" 2
1290 1 35 PHE HA 1 39 HIS QB . . 3.990 3.019 2.822 3.308 . 0 0 "[ . 1 . 2]" 2
1291 1 35 PHE QE 1 40 ASP QB . . 4.800 3.989 3.298 4.611 . 0 0 "[ . 1 . 2]" 2
1292 1 35 PHE HZ 1 39 HIS QB . . 5.060 3.592 3.377 4.096 . 0 0 "[ . 1 . 2]" 2
1293 1 36 LYS H 1 36 LYS QG . . 3.540 2.718 2.486 3.041 . 0 0 "[ . 1 . 2]" 2
1294 1 36 LYS H 1 43 PHE QB . . 5.340 4.483 4.367 4.584 . 0 0 "[ . 1 . 2]" 2
1295 1 36 LYS HA 1 36 LYS QG . . 3.440 2.409 2.153 2.634 . 0 0 "[ . 1 . 2]" 2
1296 1 36 LYS HA 1 40 ASP QB . . 3.530 2.047 1.908 2.578 . 0 0 "[ . 1 . 2]" 2
1297 1 36 LYS HB2 1 43 PHE QB . . 4.360 3.062 2.850 3.254 . 0 0 "[ . 1 . 2]" 2
1298 1 36 LYS QG 1 43 PHE H . . 5.340 5.159 4.420 5.410 0.070 16 0 "[ . 1 . 2]" 2
1299 1 36 LYS QG 1 43 PHE QB . . 4.610 3.945 3.385 4.142 . 0 0 "[ . 1 . 2]" 2
1300 1 36 LYS QG 1 43 PHE QD . . 4.780 4.207 3.365 4.683 . 0 0 "[ . 1 . 2]" 2
1301 1 36 LYS QD 1 43 PHE QB . . 5.060 3.621 3.223 4.147 . 0 0 "[ . 1 . 2]" 2
1302 1 37 ARG H 1 37 ARG QG . . 4.060 3.963 3.835 4.033 . 0 0 "[ . 1 . 2]" 2
1303 1 37 ARG HA 1 37 ARG QG . . 3.480 2.526 2.412 2.616 . 0 0 "[ . 1 . 2]" 2
1304 1 37 ARG HB2 1 43 PHE QB . . 4.900 2.960 2.805 3.515 . 0 0 "[ . 1 . 2]" 2
1305 1 37 ARG QG 1 38 TYR H . . 4.300 3.010 2.661 3.340 . 0 0 "[ . 1 . 2]" 2
1306 1 37 ARG QG 1 38 TYR HA . . 4.890 3.350 3.187 3.584 . 0 0 "[ . 1 . 2]" 2
1307 1 37 ARG QG 1 38 TYR QD . . 4.530 2.531 2.029 3.306 . 0 0 "[ . 1 . 2]" 2
1308 1 37 ARG QG 1 38 TYR QE . . 4.060 3.290 2.763 3.973 . 0 0 "[ . 1 . 2]" 2
1309 1 37 ARG QG 1 43 PHE QD . . 5.080 3.388 2.742 4.537 . 0 0 "[ . 1 . 2]" 2
1310 1 39 HIS H 1 39 HIS QB . . 3.350 2.488 2.455 2.535 . 0 0 "[ . 1 . 2]" 2
1311 1 39 HIS H 1 40 ASP QB . . 5.340 4.717 4.560 4.949 . 0 0 "[ . 1 . 2]" 2
1312 1 39 HIS QB 1 40 ASP QB . . 5.180 3.676 3.364 4.076 . 0 0 "[ . 1 . 2]" 2
1313 1 40 ASP QB 1 41 PRO HD2 . . 4.190 3.467 3.043 3.837 . 0 0 "[ . 1 . 2]" 2
1314 1 40 ASP QB 1 41 PRO HD3 . . 4.470 4.297 4.106 4.449 . 0 0 "[ . 1 . 2]" 2
1315 1 40 ASP QB 1 42 ASN H . . 4.180 2.797 2.410 3.326 . 0 0 "[ . 1 . 2]" 2
1316 1 40 ASP QB 1 43 PHE H . . 4.540 3.332 3.172 3.431 . 0 0 "[ . 1 . 2]" 2
1317 1 40 ASP QB 1 43 PHE QB . . 4.030 3.889 3.729 4.034 0.004 9 0 "[ . 1 . 2]" 2
1318 1 41 PRO QB 1 42 ASN H . . 4.040 3.712 3.627 3.766 . 0 0 "[ . 1 . 2]" 2
1319 1 41 PRO HG2 1 42 ASN QD . . 4.630 3.920 2.730 4.586 . 0 0 "[ . 1 . 2]" 2
1320 1 42 ASN H 1 42 ASN QD . . 4.250 3.127 2.099 3.982 . 0 0 "[ . 1 . 2]" 2
1321 1 42 ASN H 1 43 PHE QB . . 5.160 4.559 4.403 4.667 . 0 0 "[ . 1 . 2]" 2
1322 1 43 PHE H 1 43 PHE QB . . 2.940 2.245 2.226 2.265 . 0 0 "[ . 1 . 2]" 2
1323 1 48 PHE H 1 49 VAL QG . . 4.780 4.264 3.972 4.819 0.039 2 0 "[ . 1 . 2]" 2
1324 1 48 PHE HB3 1 49 VAL QG . . 5.160 5.065 4.830 5.172 0.012 18 0 "[ . 1 . 2]" 2
1325 1 48 PHE HB3 1 60 ARG QG . . 5.150 3.898 3.382 4.702 . 0 0 "[ . 1 . 2]" 2
1326 1 48 PHE QE 1 60 ARG QB . . 4.310 2.876 2.470 4.248 . 0 0 "[ . 1 . 2]" 2
1327 1 48 PHE HZ 1 60 ARG QB . . 4.740 3.023 2.673 4.489 . 0 0 "[ . 1 . 2]" 2
1328 1 49 VAL H 1 49 VAL QG . . 3.370 2.660 1.990 2.960 . 0 0 "[ . 1 . 2]" 2
1329 1 49 VAL QG 1 50 CYS H . . 3.350 2.286 2.064 2.483 . 0 0 "[ . 1 . 2]" 2
1330 1 49 VAL QG 1 50 CYS HA . . 5.030 3.782 3.647 3.914 . 0 0 "[ . 1 . 2]" 2
1331 1 49 VAL QG 1 50 CYS HB2 . . 4.540 3.913 3.687 4.049 . 0 0 "[ . 1 . 2]" 2
1332 1 49 VAL QG 1 50 CYS HB3 . . 4.670 3.566 3.363 3.701 . 0 0 "[ . 1 . 2]" 2
1333 1 49 VAL QG 1 51 SER HA . . 4.340 3.874 3.435 4.177 . 0 0 "[ . 1 . 2]" 2
1334 1 49 VAL QG 1 51 SER QB . . 5.100 4.849 4.467 5.054 . 0 0 "[ . 1 . 2]" 2
1335 1 49 VAL QG 1 53 CYS H . . 5.440 5.318 5.092 5.450 0.010 20 0 "[ . 1 . 2]" 2
1336 1 49 VAL QG 1 54 GLY H . . 4.050 3.889 3.697 4.018 . 0 0 "[ . 1 . 2]" 2
1337 1 49 VAL QG 1 54 GLY QA . . 3.120 2.401 2.312 2.510 . 0 0 "[ . 1 . 2]" 2
1338 1 49 VAL QG 1 55 LYS H . . 4.520 3.336 3.002 3.614 . 0 0 "[ . 1 . 2]" 2
1339 1 49 VAL QG 1 55 LYS HA . . 4.550 3.741 3.221 3.934 . 0 0 "[ . 1 . 2]" 2
1340 1 49 VAL QG 1 56 THR H . . 5.440 3.829 3.109 4.188 . 0 0 "[ . 1 . 2]" 2
1341 1 49 VAL QG 1 56 THR HA . . 3.640 2.252 1.960 2.446 . 0 0 "[ . 1 . 2]" 2
1342 1 49 VAL QG 1 56 THR HB . . 5.280 3.663 3.335 4.154 . 0 0 "[ . 1 . 2]" 2
1343 1 49 VAL QG 1 56 THR MG . . 3.770 1.887 1.765 2.122 . 0 0 "[ . 1 . 2]" 2
1344 1 49 VAL QG 1 57 PHE H . . 4.840 3.584 3.288 3.953 . 0 0 "[ . 1 . 2]" 2
1345 1 49 VAL QG 1 57 PHE QD . . 5.040 4.035 3.785 4.270 . 0 0 "[ . 1 . 2]" 2
1346 1 49 VAL QG 1 63 MET ME . . 5.240 4.242 3.760 4.688 . 0 0 "[ . 1 . 2]" 2
1347 1 50 CYS H 1 54 GLY QA . . 4.980 3.799 3.531 4.026 . 0 0 "[ . 1 . 2]" 2
1348 1 50 CYS HB3 1 52 LYS QB . . 4.930 4.285 3.813 4.540 . 0 0 "[ . 1 . 2]" 2
1349 1 51 SER QB 1 52 LYS QG . . 5.040 3.741 3.393 4.602 . 0 0 "[ . 1 . 2]" 2
1350 1 52 LYS H 1 52 LYS QB . . 3.080 2.356 2.185 2.495 . 0 0 "[ . 1 . 2]" 2
1351 1 52 LYS H 1 52 LYS QG . . 3.460 2.661 2.426 3.033 . 0 0 "[ . 1 . 2]" 2
1352 1 52 LYS HA 1 52 LYS QG . . 3.480 2.353 2.165 2.471 . 0 0 "[ . 1 . 2]" 2
1353 1 52 LYS QB 1 52 LYS QD . . 3.440 2.124 2.046 2.248 . 0 0 "[ . 1 . 2]" 2
1354 1 52 LYS QB 1 52 LYS QE . . 4.420 3.350 2.143 3.652 . 0 0 "[ . 1 . 2]" 2
1355 1 52 LYS QB 1 53 CYS H . . 3.400 2.412 2.182 2.641 . 0 0 "[ . 1 . 2]" 2
1356 1 52 LYS QB 1 54 GLY H . . 4.790 4.316 4.113 4.452 . 0 0 "[ . 1 . 2]" 2
1357 1 52 LYS QB 1 70 CYS HB3 . . 4.510 3.047 2.876 3.293 . 0 0 "[ . 1 . 2]" 2
1358 1 52 LYS QB 1 72 GLY H . . 4.250 3.555 2.223 4.129 . 0 0 "[ . 1 . 2]" 2
1359 1 52 LYS QB 1 72 GLY HA2 . . 4.200 2.641 2.223 2.947 . 0 0 "[ . 1 . 2]" 2
1360 1 52 LYS QG 1 53 CYS H . . 4.320 4.070 3.796 4.312 . 0 0 "[ . 1 . 2]" 2
1361 1 53 CYS HB2 1 73 PRO QB . . 4.980 3.561 3.030 4.047 . 0 0 "[ . 1 . 2]" 2
1362 1 55 LYS H 1 55 LYS QG . . 3.980 3.224 2.876 3.980 0.000 14 0 "[ . 1 . 2]" 2
1363 1 55 LYS HA 1 55 LYS QD . . 4.330 3.976 3.829 4.079 . 0 0 "[ . 1 . 2]" 2
1364 1 55 LYS HB2 1 55 LYS QE . . 4.710 3.964 3.297 4.167 . 0 0 "[ . 1 . 2]" 2
1365 1 55 LYS QE 1 55 LYS QG . . 3.220 2.217 2.048 2.404 . 0 0 "[ . 1 . 2]" 2
1366 1 55 LYS QG 1 56 THR H . . 3.820 3.102 1.867 3.570 . 0 0 "[ . 1 . 2]" 2
1367 1 55 LYS QG 1 57 PHE QE . . 4.560 4.089 3.765 4.342 . 0 0 "[ . 1 . 2]" 2
1368 1 55 LYS QG 1 57 PHE HZ . . 4.990 4.732 4.239 4.996 0.006 16 0 "[ . 1 . 2]" 2
1369 1 55 LYS QD 1 57 PHE QE . . 3.940 3.406 3.148 3.567 . 0 0 "[ . 1 . 2]" 2
1370 1 55 LYS QD 1 57 PHE HZ . . 3.900 3.094 2.806 3.334 . 0 0 "[ . 1 . 2]" 2
1371 1 55 LYS QD 1 66 HIS HE1 . . 4.060 3.207 2.770 4.064 0.004 14 0 "[ . 1 . 2]" 2
1372 1 55 LYS QE 1 57 PHE QE . . 5.340 4.968 3.629 5.340 0.000 7 0 "[ . 1 . 2]" 2
1373 1 55 LYS QE 1 66 HIS HE1 . . 5.340 4.157 3.172 5.297 . 0 0 "[ . 1 . 2]" 2
1374 1 58 THR MG 1 59 ARG QG . . 4.480 3.819 2.147 4.480 0.000 2 0 "[ . 1 . 2]" 2
1375 1 59 ARG H 1 59 ARG QB . . 3.630 2.622 2.389 3.285 . 0 0 "[ . 1 . 2]" 2
1376 1 59 ARG H 1 59 ARG QG . . 4.070 3.213 1.934 4.096 0.026 10 0 "[ . 1 . 2]" 2
1377 1 59 ARG QB 1 62 THR H . . 4.530 2.670 2.178 3.095 . 0 0 "[ . 1 . 2]" 2
1378 1 59 ARG QB 1 62 THR HB . . 3.760 2.546 2.067 3.319 . 0 0 "[ . 1 . 2]" 2
1379 1 59 ARG QB 1 62 THR MG . . 4.470 3.700 3.236 4.474 0.004 18 0 "[ . 1 . 2]" 2
1380 1 59 ARG QG 1 62 THR HB . . 5.190 4.085 1.851 4.706 . 0 0 "[ . 1 . 2]" 2
1381 1 59 ARG QG 1 62 THR MG . . 5.030 4.715 2.801 5.030 . 0 0 "[ . 1 . 2]" 2
1382 1 59 ARG QD 1 62 THR MG . . 4.460 4.119 3.369 4.423 . 0 0 "[ . 1 . 2]" 2
1383 1 60 ARG HA 1 60 ARG QG . . 3.470 2.359 2.182 2.509 . 0 0 "[ . 1 . 2]" 2
1384 1 60 ARG QG 1 63 MET ME . . 4.570 3.521 3.063 4.547 . 0 0 "[ . 1 . 2]" 2
1385 1 66 HIS HA 1 69 ASN QB . . 4.850 3.421 3.076 4.290 . 0 0 "[ . 1 . 2]" 2
1386 1 69 ASN H 1 69 ASN QB . . 3.370 2.438 2.171 2.794 . 0 0 "[ . 1 . 2]" 2
1387 1 69 ASN H 1 69 ASN QD . . 4.790 2.947 1.892 3.760 . 0 0 "[ . 1 . 2]" 2
1388 1 76 VAL H 1 76 VAL QG . . 3.740 2.391 1.873 3.066 . 0 0 "[ . 1 . 2]" 2
1389 1 76 VAL QG 1 77 GLU QB . . 4.760 3.979 2.342 4.740 . 0 0 "[ . 1 . 2]" 2
1390 1 77 GLU QB 1 78 GLY QA . . 5.030 3.941 3.418 4.407 . 0 0 "[ . 1 . 2]" 2
1391 1 78 GLY QA 1 79 GLU QB . . 5.340 4.023 3.571 4.544 . 0 0 "[ . 1 . 2]" 2
1392 1 82 GLY QA 1 83 PRO QG . . 4.840 3.733 3.644 4.074 . 0 0 "[ . 1 . 2]" 2
1393 1 82 GLY QA 1 83 PRO QD . . 3.250 1.991 1.851 2.296 . 0 0 "[ . 1 . 2]" 2
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