NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506494 |
1x63   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x63
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 248
_Distance_constraint_stats_list.Viol_total 19.357
_Distance_constraint_stats_list.Viol_max 0.016
_Distance_constraint_stats_list.Viol_rms 0.0028
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0039
_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 0.260 0.014 17 0 "[ . 1 . 2]"
1 21 CYS 0.135 0.008 17 0 "[ . 1 . 2]"
1 40 HIS 0.210 0.010 10 0 "[ . 1 . 2]"
1 43 CYS 0.020 0.006 18 0 "[ . 1 . 2]"
1 46 CYS 0.338 0.016 18 0 "[ . 1 . 2]"
1 49 CYS 0.160 0.012 5 0 "[ . 1 . 2]"
1 67 CYS 0.106 0.009 5 0 "[ . 1 . 2]"
1 70 CYS 0.085 0.008 5 0 "[ . 1 . 2]"
2 1 ZN 0.323 0.014 17 0 "[ . 1 . 2]"
3 1 ZN 0.299 0.016 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 . 2.250 2.350 2.355 2.348 2.364 0.014 17 0 "[ . 1 . 2]" 1
2 1 21 CYS SG 2 1 ZN ZN . 2.250 2.350 2.310 2.248 2.351 0.002 16 0 "[ . 1 . 2]" 1
3 1 40 HIS ND1 2 1 ZN ZN . . 2.050 2.053 2.041 2.060 0.010 10 0 "[ . 1 . 2]" 1
4 1 43 CYS SG 2 1 ZN ZN . 2.250 2.350 2.267 2.249 2.326 0.001 2 0 "[ . 1 . 2]" 1
5 1 18 CYS CB 2 1 ZN ZN . 3.220 3.520 3.216 3.208 3.222 0.012 17 0 "[ . 1 . 2]" 1
6 1 21 CYS CB 2 1 ZN ZN . 3.220 3.520 3.523 3.520 3.527 0.007 19 0 "[ . 1 . 2]" 1
7 1 43 CYS CB 2 1 ZN ZN . 3.220 3.520 3.370 3.286 3.459 . 0 0 "[ . 1 . 2]" 1
8 1 18 CYS SG 1 21 CYS SG . 3.650 3.850 3.770 3.651 3.839 . 0 0 "[ . 1 . 2]" 1
9 1 18 CYS SG 1 43 CYS SG . 3.650 3.850 3.786 3.662 3.856 0.006 18 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 40 HIS ND1 . 3.500 3.700 3.498 3.491 3.527 0.009 10 0 "[ . 1 . 2]" 1
11 1 21 CYS SG 1 43 CYS SG . 3.650 3.850 3.761 3.650 3.852 0.002 14 0 "[ . 1 . 2]" 1
12 1 21 CYS SG 1 40 HIS ND1 . 3.500 3.700 3.499 3.492 3.517 0.008 17 0 "[ . 1 . 2]" 1
13 1 40 HIS ND1 1 43 CYS SG . 3.500 3.700 3.676 3.638 3.705 0.005 16 0 "[ . 1 . 2]" 1
14 1 46 CYS SG 3 1 ZN ZN . 2.250 2.350 2.355 2.349 2.360 0.010 18 0 "[ . 1 . 2]" 1
15 1 49 CYS SG 3 1 ZN ZN . 2.250 2.350 2.293 2.246 2.341 0.004 8 0 "[ . 1 . 2]" 1
16 1 67 CYS SG 3 1 ZN ZN . 2.250 2.350 2.271 2.249 2.315 0.001 5 0 "[ . 1 . 2]" 1
17 1 70 CYS SG 3 1 ZN ZN . 2.250 2.350 2.295 2.248 2.353 0.003 8 0 "[ . 1 . 2]" 1
18 1 46 CYS CB 3 1 ZN ZN . 3.220 3.520 3.213 3.204 3.220 0.016 18 0 "[ . 1 . 2]" 1
19 1 49 CYS CB 3 1 ZN ZN . 3.220 3.520 3.481 3.363 3.529 0.009 5 0 "[ . 1 . 2]" 1
20 1 67 CYS CB 3 1 ZN ZN . 3.220 3.520 3.511 3.353 3.529 0.009 5 0 "[ . 1 . 2]" 1
21 1 46 CYS SG 1 49 CYS SG . 3.650 3.850 3.648 3.638 3.672 0.012 5 0 "[ . 1 . 2]" 1
22 1 46 CYS SG 1 67 CYS SG . 3.650 3.850 3.840 3.734 3.855 0.005 7 0 "[ . 1 . 2]" 1
23 1 46 CYS SG 1 70 CYS SG . 3.650 3.850 3.786 3.672 3.851 0.001 7 0 "[ . 1 . 2]" 1
24 1 49 CYS SG 1 67 CYS SG . 3.650 3.850 3.778 3.650 3.856 0.006 18 0 "[ . 1 . 2]" 1
25 1 49 CYS SG 1 70 CYS SG . 3.650 3.850 3.850 3.832 3.856 0.006 19 0 "[ . 1 . 2]" 1
26 1 67 CYS SG 1 70 CYS SG . 3.650 3.850 3.653 3.642 3.712 0.008 5 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 1
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 162.249
_Distance_constraint_stats_list.Viol_max 0.511
_Distance_constraint_stats_list.Viol_rms 0.0948
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4056
_Distance_constraint_stats_list.Viol_average_violations_only 0.4056
_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 30 GLN 8.112 0.511 13 1 "[ . 1 + . 2]"
1 31 ASN 8.112 0.511 13 1 "[ . 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 30 GLN H 1 31 ASN H . . 4.000 4.406 4.171 4.511 0.511 13 1 "[ . 1 + . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 1537
_Distance_constraint_stats_list.Viol_count 1070
_Distance_constraint_stats_list.Viol_total 334.243
_Distance_constraint_stats_list.Viol_max 0.177
_Distance_constraint_stats_list.Viol_rms 0.0043
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0156
_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 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ARG 0.015 0.015 6 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 SER 0.143 0.042 17 0 "[ . 1 . 2]"
1 16 PRO 0.590 0.041 6 0 "[ . 1 . 2]"
1 17 LYS 0.652 0.041 17 0 "[ . 1 . 2]"
1 18 CYS 1.241 0.085 8 0 "[ . 1 . 2]"
1 19 LYS 0.313 0.057 19 0 "[ . 1 . 2]"
1 20 GLY 0.055 0.020 5 0 "[ . 1 . 2]"
1 21 CYS 0.048 0.018 8 0 "[ . 1 . 2]"
1 22 PHE 0.809 0.047 14 0 "[ . 1 . 2]"
1 23 LYS 0.618 0.131 5 0 "[ . 1 . 2]"
1 24 ALA 0.789 0.042 17 0 "[ . 1 . 2]"
1 25 ILE 2.503 0.085 8 0 "[ . 1 . 2]"
1 26 VAL 0.987 0.041 20 0 "[ . 1 . 2]"
1 27 ALA 0.590 0.041 20 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.640 0.038 1 0 "[ . 1 . 2]"
1 30 GLN 0.013 0.008 7 0 "[ . 1 . 2]"
1 31 ASN 0.474 0.032 9 0 "[ . 1 . 2]"
1 32 VAL 0.687 0.039 14 0 "[ . 1 . 2]"
1 33 GLU 0.554 0.047 14 0 "[ . 1 . 2]"
1 34 TYR 0.270 0.040 4 0 "[ . 1 . 2]"
1 35 LYS 0.705 0.177 14 0 "[ . 1 . 2]"
1 36 GLY 0.038 0.020 16 0 "[ . 1 . 2]"
1 37 THR 0.297 0.046 6 0 "[ . 1 . 2]"
1 38 VAL 0.799 0.069 14 0 "[ . 1 . 2]"
1 39 TRP 0.517 0.047 14 0 "[ . 1 . 2]"
1 40 HIS 0.589 0.050 10 0 "[ . 1 . 2]"
1 41 LYS 0.286 0.039 14 0 "[ . 1 . 2]"
1 42 ASP 0.019 0.017 8 0 "[ . 1 . 2]"
1 43 CYS 0.275 0.020 5 0 "[ . 1 . 2]"
1 44 PHE 0.374 0.024 18 0 "[ . 1 . 2]"
1 45 THR 0.865 0.065 6 0 "[ . 1 . 2]"
1 46 CYS 0.973 0.089 16 0 "[ . 1 . 2]"
1 47 SER 0.246 0.043 8 0 "[ . 1 . 2]"
1 48 ASN 0.375 0.033 16 0 "[ . 1 . 2]"
1 49 CYS 0.361 0.062 18 0 "[ . 1 . 2]"
1 50 LYS 1.462 0.127 16 0 "[ . 1 . 2]"
1 51 GLN 0.469 0.072 10 0 "[ . 1 . 2]"
1 52 VAL 0.603 0.050 16 0 "[ . 1 . 2]"
1 53 ILE 0.362 0.026 6 0 "[ . 1 . 2]"
1 54 GLY 0.183 0.024 18 0 "[ . 1 . 2]"
1 55 THR 0.005 0.003 14 0 "[ . 1 . 2]"
1 56 GLY 0.059 0.011 13 0 "[ . 1 . 2]"
1 57 SER 0.279 0.026 5 0 "[ . 1 . 2]"
1 58 PHE 0.065 0.014 17 0 "[ . 1 . 2]"
1 59 PHE 0.213 0.026 5 0 "[ . 1 . 2]"
1 60 PRO 0.124 0.033 20 0 "[ . 1 . 2]"
1 61 LYS 0.496 0.056 16 0 "[ . 1 . 2]"
1 62 GLY 0.929 0.075 16 0 "[ . 1 . 2]"
1 63 GLU 1.173 0.075 16 0 "[ . 1 . 2]"
1 64 ASP 0.304 0.054 8 0 "[ . 1 . 2]"
1 65 PHE 0.037 0.009 7 0 "[ . 1 . 2]"
1 66 TYR 1.096 0.137 20 0 "[ . 1 . 2]"
1 67 CYS 0.544 0.054 13 0 "[ . 1 . 2]"
1 68 VAL 1.259 0.082 8 0 "[ . 1 . 2]"
1 69 THR 0.141 0.026 17 0 "[ . 1 . 2]"
1 70 CYS 0.360 0.019 6 0 "[ . 1 . 2]"
1 71 HIS 0.252 0.031 17 0 "[ . 1 . 2]"
1 72 GLU 1.168 0.082 8 0 "[ . 1 . 2]"
1 73 THR 0.064 0.012 18 0 "[ . 1 . 2]"
1 74 LYS 0.248 0.137 20 0 "[ . 1 . 2]"
1 75 PHE 0.216 0.031 17 0 "[ . 1 . 2]"
1 76 ALA 0.066 0.041 8 0 "[ . 1 . 2]"
1 77 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLY 0.002 0.002 9 0 "[ . 1 . 2]"
1 79 PRO 0.002 0.002 9 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 69 THR H 1 70 CYS H . . 3.280 3.240 3.127 3.297 0.017 12 0 "[ . 1 . 2]" 3
2 1 70 CYS H 1 70 CYS HB2 . . 3.250 2.320 2.252 2.370 . 0 0 "[ . 1 . 2]" 3
3 1 33 GLU H 1 33 GLU HB3 . . 3.490 2.732 2.601 2.783 . 0 0 "[ . 1 . 2]" 3
4 1 33 GLU H 1 33 GLU HB2 . . 3.590 2.522 2.418 2.793 . 0 0 "[ . 1 . 2]" 3
5 1 61 LYS H 1 64 ASP HB2 . . 5.070 4.087 2.865 4.728 . 0 0 "[ . 1 . 2]" 3
6 1 60 PRO QB 1 61 LYS H . . 3.720 3.525 3.168 3.753 0.033 20 0 "[ . 1 . 2]" 3
7 1 61 LYS H 1 61 LYS HG3 . . 4.650 4.244 3.797 4.563 . 0 0 "[ . 1 . 2]" 3
8 1 61 LYS H 1 61 LYS HG2 . . 4.650 3.754 2.624 4.680 0.030 20 0 "[ . 1 . 2]" 3
9 1 60 PRO HA 1 61 LYS H . . 2.870 2.180 2.149 2.253 . 0 0 "[ . 1 . 2]" 3
10 1 61 LYS H 1 61 LYS HB3 . . 3.790 3.517 2.588 3.796 0.006 9 0 "[ . 1 . 2]" 3
11 1 34 TYR H 1 37 THR H . . 4.530 4.073 3.799 4.464 . 0 0 "[ . 1 . 2]" 3
12 1 40 HIS HD2 1 41 LYS H . . 4.850 3.880 3.767 3.986 . 0 0 "[ . 1 . 2]" 3
13 1 40 HIS HA 1 41 LYS H . . 3.010 2.209 2.187 2.241 . 0 0 "[ . 1 . 2]" 3
14 1 40 HIS HB3 1 41 LYS H . . 3.840 3.010 2.884 3.105 . 0 0 "[ . 1 . 2]" 3
15 1 31 ASN HB2 1 41 LYS H . . 4.940 4.763 4.537 4.933 . 0 0 "[ . 1 . 2]" 3
16 1 31 ASN HB3 1 41 LYS H . . 4.940 3.695 3.552 3.919 . 0 0 "[ . 1 . 2]" 3
17 1 30 GLN QB 1 41 LYS H . . 4.650 3.829 3.683 4.065 . 0 0 "[ . 1 . 2]" 3
18 1 41 LYS H 1 41 LYS HB2 . . 3.300 2.635 2.569 2.693 . 0 0 "[ . 1 . 2]" 3
19 1 41 LYS H 1 41 LYS QG . . 4.030 3.968 3.945 3.985 . 0 0 "[ . 1 . 2]" 3
20 1 42 ASP H 1 44 PHE H . . 4.440 3.935 3.847 4.032 . 0 0 "[ . 1 . 2]" 3
21 1 44 PHE H 1 44 PHE QD . . 4.430 4.066 4.027 4.099 . 0 0 "[ . 1 . 2]" 3
22 1 42 ASP HA 1 44 PHE H . . 4.680 4.585 4.452 4.669 . 0 0 "[ . 1 . 2]" 3
23 1 44 PHE H 1 54 GLY HA2 . . 4.900 4.186 4.086 4.288 . 0 0 "[ . 1 . 2]" 3
24 1 40 HIS HB2 1 44 PHE H . . 4.430 4.018 3.969 4.116 . 0 0 "[ . 1 . 2]" 3
25 1 43 CYS HB3 1 44 PHE H . . 4.330 3.289 3.163 3.357 . 0 0 "[ . 1 . 2]" 3
26 1 39 TRP HB3 1 44 PHE H . . 4.290 2.584 2.494 2.668 . 0 0 "[ . 1 . 2]" 3
27 1 43 CYS HB2 1 44 PHE H . . 3.970 2.632 2.578 2.707 . 0 0 "[ . 1 . 2]" 3
28 1 44 PHE H 1 44 PHE HB3 . . 3.170 2.751 2.705 2.797 . 0 0 "[ . 1 . 2]" 3
29 1 39 TRP HB2 1 44 PHE H . . 4.540 3.493 3.371 3.757 . 0 0 "[ . 1 . 2]" 3
30 1 44 PHE H 1 44 PHE HB2 . . 3.280 2.329 2.292 2.366 . 0 0 "[ . 1 . 2]" 3
31 1 44 PHE H 1 52 VAL MG2 . . 5.270 5.215 5.031 5.286 0.016 16 0 "[ . 1 . 2]" 3
32 1 44 PHE H 1 52 VAL MG1 . . 4.350 4.182 4.034 4.352 0.002 15 0 "[ . 1 . 2]" 3
33 1 44 PHE H 1 54 GLY H . . 4.970 4.395 4.294 4.516 . 0 0 "[ . 1 . 2]" 3
34 1 46 CYS HA 1 67 CYS H . . 4.360 3.867 3.615 4.215 . 0 0 "[ . 1 . 2]" 3
35 1 66 TYR QD 1 67 CYS H . . 4.590 4.382 3.986 4.588 . 0 0 "[ . 1 . 2]" 3
36 1 46 CYS HB3 1 67 CYS H . . 4.610 4.445 4.330 4.656 0.046 16 0 "[ . 1 . 2]" 3
37 1 66 TYR HB3 1 67 CYS H . . 3.840 3.279 2.714 3.638 . 0 0 "[ . 1 . 2]" 3
38 1 67 CYS H 1 70 CYS HB2 . . 3.740 2.722 2.304 3.014 . 0 0 "[ . 1 . 2]" 3
39 1 67 CYS H 1 67 CYS HB3 . . 3.410 2.533 2.425 2.670 . 0 0 "[ . 1 . 2]" 3
40 1 17 LYS HD2 1 18 CYS H . . 4.070 3.423 3.136 3.716 . 0 0 "[ . 1 . 2]" 3
41 1 18 CYS H 1 24 ALA MB . . 4.830 4.669 4.578 4.840 0.010 13 0 "[ . 1 . 2]" 3
42 1 17 LYS HB3 1 18 CYS H . . 3.600 3.065 2.871 3.306 . 0 0 "[ . 1 . 2]" 3
43 1 17 LYS HG2 1 18 CYS H . . 4.660 4.296 4.232 4.366 . 0 0 "[ . 1 . 2]" 3
44 1 18 CYS H 1 25 ILE HG13 . . 4.160 2.735 2.461 2.934 . 0 0 "[ . 1 . 2]" 3
45 1 18 CYS H 1 25 ILE HG12 . . 4.510 3.414 3.119 3.551 . 0 0 "[ . 1 . 2]" 3
46 1 17 LYS HA 1 25 ILE H . . 3.390 2.587 2.510 2.695 . 0 0 "[ . 1 . 2]" 3
47 1 16 PRO QG 1 25 ILE H . . 4.770 3.402 3.318 3.482 . 0 0 "[ . 1 . 2]" 3
48 1 25 ILE H 1 25 ILE HB . . 3.110 2.728 2.658 2.773 . 0 0 "[ . 1 . 2]" 3
49 1 25 ILE H 1 25 ILE HG13 . . 3.420 2.431 2.350 2.526 . 0 0 "[ . 1 . 2]" 3
50 1 25 ILE H 1 25 ILE HG12 . . 3.430 3.092 2.991 3.212 . 0 0 "[ . 1 . 2]" 3
51 1 39 TRP H 1 39 TRP HE3 . . 3.530 2.370 2.073 2.867 . 0 0 "[ . 1 . 2]" 3
52 1 39 TRP H 1 39 TRP HB2 . . 3.680 2.597 2.534 2.658 . 0 0 "[ . 1 . 2]" 3
53 1 38 VAL MG1 1 39 TRP H . . 4.290 3.970 3.777 4.064 . 0 0 "[ . 1 . 2]" 3
54 1 32 VAL MG2 1 39 TRP H . . 5.080 4.022 3.920 4.117 . 0 0 "[ . 1 . 2]" 3
55 1 31 ASN H 1 31 ASN HD21 . . 4.510 3.199 3.064 3.304 . 0 0 "[ . 1 . 2]" 3
56 1 37 THR MG 1 38 VAL H . . 4.630 2.949 1.887 3.725 . 0 0 "[ . 1 . 2]" 3
57 1 51 GLN QG 1 52 VAL H . . 4.420 4.159 3.507 4.430 0.010 20 0 "[ . 1 . 2]" 3
58 1 52 VAL H 1 52 VAL HB . . 2.850 2.638 2.541 2.685 . 0 0 "[ . 1 . 2]" 3
59 1 52 VAL H 1 52 VAL MG1 . . 3.860 3.775 3.763 3.786 . 0 0 "[ . 1 . 2]" 3
60 1 30 GLN QB 1 31 ASN H . . 4.100 3.434 3.205 3.600 . 0 0 "[ . 1 . 2]" 3
61 1 24 ALA H 1 40 HIS HE1 . . 5.210 5.116 5.038 5.189 . 0 0 "[ . 1 . 2]" 3
62 1 23 LYS HB3 1 24 ALA H . . 3.190 3.088 2.824 3.179 . 0 0 "[ . 1 . 2]" 3
63 1 23 LYS HG2 1 24 ALA H . . 4.250 4.268 4.245 4.292 0.042 5 0 "[ . 1 . 2]" 3
64 1 24 ALA H 1 24 ALA MB . . 2.670 2.220 2.133 2.240 . 0 0 "[ . 1 . 2]" 3
65 1 39 TRP HA 1 40 HIS H . . 3.170 2.149 2.141 2.169 . 0 0 "[ . 1 . 2]" 3
66 1 18 CYS HA 1 40 HIS H . . 4.640 4.566 4.392 4.639 . 0 0 "[ . 1 . 2]" 3
67 1 40 HIS H 1 40 HIS HB2 . . 3.540 2.422 2.367 2.478 . 0 0 "[ . 1 . 2]" 3
68 1 39 TRP HB3 1 40 HIS H . . 3.480 3.351 3.179 3.463 . 0 0 "[ . 1 . 2]" 3
69 1 39 TRP HB2 1 40 HIS H . . 4.440 4.261 4.180 4.366 . 0 0 "[ . 1 . 2]" 3
70 1 18 CYS HB2 1 40 HIS H . . 3.930 3.928 3.780 3.980 0.050 10 0 "[ . 1 . 2]" 3
71 1 30 GLN H 1 30 GLN QB . . 3.480 2.281 2.157 2.460 . 0 0 "[ . 1 . 2]" 3
72 1 29 ASP H 1 30 GLN H . . 4.860 4.609 4.571 4.627 . 0 0 "[ . 1 . 2]" 3
73 1 28 GLY H 1 29 ASP H . . 4.410 2.968 2.878 3.037 . 0 0 "[ . 1 . 2]" 3
74 1 29 ASP H 1 31 ASN HD22 . . 4.720 3.765 3.634 4.005 . 0 0 "[ . 1 . 2]" 3
75 1 29 ASP H 1 29 ASP HB2 . . 3.190 2.282 2.262 2.318 . 0 0 "[ . 1 . 2]" 3
76 1 25 ILE MG 1 29 ASP H . . 4.930 4.762 4.690 4.818 . 0 0 "[ . 1 . 2]" 3
77 1 46 CYS H 1 53 ILE H . . 4.380 4.033 3.792 4.152 . 0 0 "[ . 1 . 2]" 3
78 1 46 CYS H 1 50 LYS H . . 4.230 3.911 3.837 4.012 . 0 0 "[ . 1 . 2]" 3
79 1 14 ASP H 1 14 ASP QB . . 3.430 2.652 2.212 3.068 . 0 0 "[ . 1 . 2]" 3
80 1 46 CYS H 1 53 ILE HG13 . . 3.870 3.083 2.874 3.212 . 0 0 "[ . 1 . 2]" 3
81 1 73 THR HB 1 74 LYS H . . 4.270 4.036 3.846 4.262 . 0 0 "[ . 1 . 2]" 3
82 1 71 HIS HA 1 74 LYS H . . 3.710 3.396 3.252 3.716 0.006 2 0 "[ . 1 . 2]" 3
83 1 74 LYS H 1 74 LYS HB2 . . 3.310 2.522 2.228 2.921 . 0 0 "[ . 1 . 2]" 3
84 1 74 LYS H 1 74 LYS HB3 . . 3.310 2.578 2.325 2.862 . 0 0 "[ . 1 . 2]" 3
85 1 74 LYS H 1 74 LYS HG3 . . 4.660 4.443 4.212 4.599 . 0 0 "[ . 1 . 2]" 3
86 1 32 VAL H 1 40 HIS HA . . 4.490 3.756 3.566 3.838 . 0 0 "[ . 1 . 2]" 3
87 1 32 VAL H 1 41 LYS HA . . 5.040 4.515 4.363 4.811 . 0 0 "[ . 1 . 2]" 3
88 1 32 VAL H 1 39 TRP HB3 . . 5.240 4.968 4.881 5.102 . 0 0 "[ . 1 . 2]" 3
89 1 31 ASN HB2 1 32 VAL H . . 3.250 2.759 2.074 3.102 . 0 0 "[ . 1 . 2]" 3
90 1 32 VAL H 1 32 VAL HB . . 3.170 2.861 2.817 2.914 . 0 0 "[ . 1 . 2]" 3
91 1 32 VAL H 1 38 VAL MG2 . . 4.300 2.466 2.251 2.632 . 0 0 "[ . 1 . 2]" 3
92 1 66 TYR H 1 66 TYR QD . . 3.950 2.287 2.049 2.668 . 0 0 "[ . 1 . 2]" 3
93 1 58 PHE QD 1 66 TYR H . . 4.860 4.551 3.890 4.862 0.002 20 0 "[ . 1 . 2]" 3
94 1 65 PHE QD 1 66 TYR H . . 4.640 4.118 3.457 4.586 . 0 0 "[ . 1 . 2]" 3
95 1 66 TYR H 1 66 TYR QE . . 4.980 4.579 4.324 4.925 . 0 0 "[ . 1 . 2]" 3
96 1 60 PRO HA 1 66 TYR H . . 4.210 3.398 2.755 3.712 . 0 0 "[ . 1 . 2]" 3
97 1 66 TYR H 1 66 TYR HB2 . . 3.230 2.439 2.353 2.540 . 0 0 "[ . 1 . 2]" 3
98 1 59 PHE HB2 1 66 TYR H . . 4.410 3.868 3.571 4.106 . 0 0 "[ . 1 . 2]" 3
99 1 65 PHE HB2 1 66 TYR H . . 4.620 4.416 4.170 4.559 . 0 0 "[ . 1 . 2]" 3
100 1 65 PHE HB3 1 66 TYR H . . 3.970 3.669 3.330 3.956 . 0 0 "[ . 1 . 2]" 3
101 1 47 SER H 1 48 ASN H . . 3.460 2.089 2.041 2.129 . 0 0 "[ . 1 . 2]" 3
102 1 48 ASN H 1 50 LYS H . . 4.030 3.121 2.906 3.251 . 0 0 "[ . 1 . 2]" 3
103 1 47 SER HB2 1 48 ASN H . . 4.480 3.728 3.108 4.272 . 0 0 "[ . 1 . 2]" 3
104 1 48 ASN H 1 48 ASN HB3 . . 3.230 2.395 2.360 2.538 . 0 0 "[ . 1 . 2]" 3
105 1 47 SER HB3 1 48 ASN H . . 4.480 3.734 3.041 4.193 . 0 0 "[ . 1 . 2]" 3
106 1 46 CYS HB2 1 48 ASN H . . 4.630 4.418 4.249 4.488 . 0 0 "[ . 1 . 2]" 3
107 1 16 PRO HB3 1 17 LYS H . . 4.350 4.337 4.245 4.371 0.021 16 0 "[ . 1 . 2]" 3
108 1 16 PRO QG 1 17 LYS H . . 4.950 4.752 4.747 4.754 . 0 0 "[ . 1 . 2]" 3
109 1 16 PRO HB2 1 17 LYS H . . 4.080 4.000 3.877 4.043 . 0 0 "[ . 1 . 2]" 3
110 1 17 LYS H 1 17 LYS HB2 . . 3.160 2.167 2.155 2.190 . 0 0 "[ . 1 . 2]" 3
111 1 17 LYS H 1 17 LYS HB3 . . 3.770 3.473 3.453 3.491 . 0 0 "[ . 1 . 2]" 3
112 1 17 LYS H 1 17 LYS HG2 . . 3.790 3.125 3.063 3.225 . 0 0 "[ . 1 . 2]" 3
113 1 17 LYS H 1 38 VAL MG1 . . 4.620 3.700 3.403 3.905 . 0 0 "[ . 1 . 2]" 3
114 1 18 CYS HB3 1 23 LYS H . . 3.300 1.900 1.880 2.014 . 0 0 "[ . 1 . 2]" 3
115 1 23 LYS H 1 23 LYS HB2 . . 3.130 2.551 2.524 2.581 . 0 0 "[ . 1 . 2]" 3
116 1 23 LYS H 1 23 LYS HG3 . . 3.500 2.883 2.684 2.973 . 0 0 "[ . 1 . 2]" 3
117 1 58 PHE QD 1 59 PHE H . . 3.860 2.919 2.477 3.240 . 0 0 "[ . 1 . 2]" 3
118 1 59 PHE H 1 59 PHE QD . . 3.460 3.002 2.849 3.199 . 0 0 "[ . 1 . 2]" 3
119 1 59 PHE H 1 60 PRO HD3 . . 4.790 3.936 3.740 4.213 . 0 0 "[ . 1 . 2]" 3
120 1 59 PHE H 1 66 TYR HB2 . . 4.300 4.070 3.775 4.278 . 0 0 "[ . 1 . 2]" 3
121 1 58 PHE HB2 1 59 PHE H . . 3.120 2.189 1.968 2.358 . 0 0 "[ . 1 . 2]" 3
122 1 59 PHE H 1 59 PHE HB2 . . 3.310 2.675 2.605 2.743 . 0 0 "[ . 1 . 2]" 3
123 1 22 PHE HA 1 23 LYS H . . 3.430 2.883 2.826 2.975 . 0 0 "[ . 1 . 2]" 3
124 1 46 CYS HB3 1 51 GLN H . . 3.370 1.927 1.886 2.077 . 0 0 "[ . 1 . 2]" 3
125 1 46 CYS HB2 1 51 GLN H . . 3.860 2.672 2.428 2.888 . 0 0 "[ . 1 . 2]" 3
126 1 51 GLN H 1 51 GLN HB2 . . 3.800 2.882 2.408 3.804 0.004 1 0 "[ . 1 . 2]" 3
127 1 71 HIS H 1 72 GLU H . . 3.180 2.528 2.444 2.603 . 0 0 "[ . 1 . 2]" 3
128 1 69 THR H 1 71 HIS H . . 4.420 4.379 4.269 4.446 0.026 17 0 "[ . 1 . 2]" 3
129 1 71 HIS H 1 73 THR H . . 4.560 4.212 4.096 4.321 . 0 0 "[ . 1 . 2]" 3
130 1 66 TYR QD 1 71 HIS H . . 4.780 4.612 4.417 4.789 0.009 14 0 "[ . 1 . 2]" 3
131 1 69 THR HA 1 71 HIS H . . 4.800 4.486 4.354 4.652 . 0 0 "[ . 1 . 2]" 3
132 1 66 TYR HB3 1 71 HIS H . . 3.810 3.443 3.266 3.611 . 0 0 "[ . 1 . 2]" 3
133 1 70 CYS HB2 1 71 HIS H . . 3.610 2.673 2.601 2.758 . 0 0 "[ . 1 . 2]" 3
134 1 71 HIS H 1 71 HIS HB3 . . 3.050 2.240 2.180 2.329 . 0 0 "[ . 1 . 2]" 3
135 1 63 GLU H 1 64 ASP H . . 3.770 2.610 1.793 3.270 . 0 0 "[ . 1 . 2]" 3
136 1 64 ASP H 1 66 TYR QE . . 5.460 4.711 3.944 5.413 . 0 0 "[ . 1 . 2]" 3
137 1 63 GLU HB2 1 64 ASP H . . 4.720 4.415 4.132 4.618 . 0 0 "[ . 1 . 2]" 3
138 1 63 GLU HB3 1 64 ASP H . . 4.720 3.966 2.954 4.326 . 0 0 "[ . 1 . 2]" 3
139 1 20 GLY H 1 22 PHE H . . 4.400 3.523 3.364 3.595 . 0 0 "[ . 1 . 2]" 3
140 1 22 PHE H 1 22 PHE HA . . 2.570 2.278 2.274 2.281 . 0 0 "[ . 1 . 2]" 3
141 1 19 LYS HA 1 22 PHE H . . 4.450 3.752 3.597 3.854 . 0 0 "[ . 1 . 2]" 3
142 1 20 GLY HA2 1 22 PHE H . . 5.140 4.500 4.361 4.569 . 0 0 "[ . 1 . 2]" 3
143 1 22 PHE H 1 22 PHE HB2 . . 3.900 3.677 3.488 3.721 . 0 0 "[ . 1 . 2]" 3
144 1 18 CYS HB3 1 22 PHE H . . 3.490 2.547 2.442 2.716 . 0 0 "[ . 1 . 2]" 3
145 1 21 CYS HB3 1 22 PHE H . . 4.830 4.184 4.143 4.250 . 0 0 "[ . 1 . 2]" 3
146 1 22 PHE H 1 23 LYS HB2 . . 5.500 4.777 4.731 4.895 . 0 0 "[ . 1 . 2]" 3
147 1 20 GLY H 1 21 CYS H . . 3.770 2.816 2.641 2.958 . 0 0 "[ . 1 . 2]" 3
148 1 48 ASN HD21 1 70 CYS HB3 . . 4.560 4.530 4.391 4.573 0.013 13 0 "[ . 1 . 2]" 3
149 1 53 ILE HG12 1 68 VAL H . . 4.950 4.644 4.421 4.839 . 0 0 "[ . 1 . 2]" 3
150 1 59 PHE QE 1 68 VAL H . . 4.630 4.203 4.062 4.331 . 0 0 "[ . 1 . 2]" 3
151 1 67 CYS HB3 1 68 VAL H . . 4.170 3.929 3.704 4.045 . 0 0 "[ . 1 . 2]" 3
152 1 68 VAL H 1 68 VAL HB . . 3.090 2.539 2.454 2.616 . 0 0 "[ . 1 . 2]" 3
153 1 47 SER H 1 49 CYS H . . 4.860 4.224 3.942 4.382 . 0 0 "[ . 1 . 2]" 3
154 1 48 ASN H 1 49 CYS H . . 3.120 2.588 2.229 2.697 . 0 0 "[ . 1 . 2]" 3
155 1 49 CYS H 1 50 LYS H . . 2.880 2.329 2.189 2.420 . 0 0 "[ . 1 . 2]" 3
156 1 49 CYS H 1 50 LYS HA . . 4.620 4.579 4.418 4.682 0.062 18 0 "[ . 1 . 2]" 3
157 1 48 ASN HB3 1 49 CYS H . . 3.150 2.181 2.084 2.365 . 0 0 "[ . 1 . 2]" 3
158 1 49 CYS H 1 49 CYS HB3 . . 3.660 2.708 2.621 2.813 . 0 0 "[ . 1 . 2]" 3
159 1 68 VAL H 1 69 THR H . . 3.340 3.305 3.156 3.359 0.019 10 0 "[ . 1 . 2]" 3
160 1 67 CYS HA 1 69 THR H . . 5.200 4.958 4.701 5.159 . 0 0 "[ . 1 . 2]" 3
161 1 69 THR H 1 71 HIS HB3 . . 5.500 5.153 5.086 5.266 . 0 0 "[ . 1 . 2]" 3
162 1 68 VAL HB 1 69 THR H . . 3.500 2.152 2.092 2.302 . 0 0 "[ . 1 . 2]" 3
163 1 14 ASP QB 1 15 SER H . . 4.390 3.679 2.063 4.061 . 0 0 "[ . 1 . 2]" 3
164 1 75 PHE H 1 75 PHE QD . . 3.780 2.364 2.051 2.989 . 0 0 "[ . 1 . 2]" 3
165 1 71 HIS HA 1 75 PHE H . . 3.750 2.884 2.567 3.097 . 0 0 "[ . 1 . 2]" 3
166 1 75 PHE H 1 75 PHE HB3 . . 3.990 3.632 3.568 3.699 . 0 0 "[ . 1 . 2]" 3
167 1 75 PHE H 1 75 PHE HB2 . . 3.570 2.466 2.306 2.851 . 0 0 "[ . 1 . 2]" 3
168 1 74 LYS HB2 1 75 PHE H . . 4.350 3.583 3.350 3.780 . 0 0 "[ . 1 . 2]" 3
169 1 74 LYS HB3 1 75 PHE H . . 4.350 2.147 1.985 2.346 . 0 0 "[ . 1 . 2]" 3
170 1 71 HIS HB3 1 72 GLU H . . 3.350 3.009 2.865 3.291 . 0 0 "[ . 1 . 2]" 3
171 1 72 GLU H 1 72 GLU HG2 . . 3.780 2.667 2.390 3.129 . 0 0 "[ . 1 . 2]" 3
172 1 72 GLU H 1 72 GLU HB2 . . 3.050 2.371 2.286 2.472 . 0 0 "[ . 1 . 2]" 3
173 1 72 GLU H 1 73 THR MG . . 4.680 3.706 3.530 3.827 . 0 0 "[ . 1 . 2]" 3
174 1 44 PHE QD 1 45 THR H . . 4.030 3.545 3.093 3.794 . 0 0 "[ . 1 . 2]" 3
175 1 45 THR H 1 45 THR HB . . 4.140 3.781 3.744 3.863 . 0 0 "[ . 1 . 2]" 3
176 1 44 PHE HB2 1 45 THR H . . 4.570 4.483 4.385 4.546 . 0 0 "[ . 1 . 2]" 3
177 1 45 THR H 1 45 THR MG . . 3.310 3.054 2.900 3.180 . 0 0 "[ . 1 . 2]" 3
178 1 45 THR H 1 53 ILE MD . . 4.960 4.516 4.153 4.867 . 0 0 "[ . 1 . 2]" 3
179 1 47 SER H 1 65 PHE H . . 4.150 3.860 3.617 4.077 . 0 0 "[ . 1 . 2]" 3
180 1 65 PHE H 1 65 PHE QD . . 3.830 3.455 2.968 3.788 . 0 0 "[ . 1 . 2]" 3
181 1 46 CYS HA 1 65 PHE H . . 5.370 4.823 4.584 5.109 . 0 0 "[ . 1 . 2]" 3
182 1 47 SER HA 1 65 PHE H . . 5.500 4.552 4.239 4.892 . 0 0 "[ . 1 . 2]" 3
183 1 65 PHE H 1 65 PHE HB2 . . 3.440 2.711 2.555 2.890 . 0 0 "[ . 1 . 2]" 3
184 1 64 ASP HB3 1 65 PHE H . . 3.690 2.177 2.001 2.557 . 0 0 "[ . 1 . 2]" 3
185 1 50 LYS H 1 51 GLN H . . 3.360 2.744 2.639 3.061 . 0 0 "[ . 1 . 2]" 3
186 1 50 LYS H 1 50 LYS HA . . 2.570 2.277 2.274 2.312 . 0 0 "[ . 1 . 2]" 3
187 1 45 THR HB 1 50 LYS H . . 5.010 5.037 4.904 5.075 0.065 6 0 "[ . 1 . 2]" 3
188 1 46 CYS HB3 1 50 LYS H . . 3.450 1.913 1.865 2.231 . 0 0 "[ . 1 . 2]" 3
189 1 46 CYS HB2 1 50 LYS H . . 3.900 3.658 3.604 3.989 0.089 16 0 "[ . 1 . 2]" 3
190 1 50 LYS H 1 50 LYS HB2 . . 4.000 3.575 3.355 3.974 . 0 0 "[ . 1 . 2]" 3
191 1 50 LYS H 1 50 LYS HD2 . . 4.560 3.813 2.591 4.489 . 0 0 "[ . 1 . 2]" 3
192 1 58 PHE H 1 58 PHE QD . . 3.530 2.879 2.718 3.108 . 0 0 "[ . 1 . 2]" 3
193 1 58 PHE H 1 58 PHE QE . . 4.410 4.272 4.152 4.424 0.014 17 0 "[ . 1 . 2]" 3
194 1 40 HIS H 1 43 CYS H . . 4.650 3.797 3.695 3.888 . 0 0 "[ . 1 . 2]" 3
195 1 42 ASP H 1 43 CYS H . . 3.360 2.136 2.094 2.202 . 0 0 "[ . 1 . 2]" 3
196 1 40 HIS HB2 1 43 CYS H . . 3.350 2.281 2.217 2.326 . 0 0 "[ . 1 . 2]" 3
197 1 40 HIS HB3 1 43 CYS H . . 3.800 2.817 2.727 2.910 . 0 0 "[ . 1 . 2]" 3
198 1 43 CYS H 1 43 CYS HB3 . . 3.820 3.534 3.507 3.545 . 0 0 "[ . 1 . 2]" 3
199 1 43 CYS H 1 43 CYS HB2 . . 3.320 2.252 2.203 2.274 . 0 0 "[ . 1 . 2]" 3
200 1 43 CYS H 1 44 PHE HB3 . . 5.020 5.000 4.956 5.035 0.015 14 0 "[ . 1 . 2]" 3
201 1 42 ASP HB2 1 43 CYS H . . 4.560 3.536 2.806 4.241 . 0 0 "[ . 1 . 2]" 3
202 1 42 ASP HB3 1 43 CYS H . . 4.560 3.896 3.072 4.193 . 0 0 "[ . 1 . 2]" 3
203 1 43 CYS H 1 44 PHE HB2 . . 4.830 4.782 4.721 4.838 0.008 10 0 "[ . 1 . 2]" 3
204 1 76 ALA MB 1 77 SER H . . 4.930 2.420 2.116 3.711 . 0 0 "[ . 1 . 2]" 3
205 1 57 SER H 1 57 SER QB . . 2.930 2.397 2.153 2.802 . 0 0 "[ . 1 . 2]" 3
206 1 57 SER H 1 68 VAL MG1 . . 5.500 5.503 5.424 5.523 0.023 8 0 "[ . 1 . 2]" 3
207 1 53 ILE MG 1 57 SER H . . 4.320 4.153 4.075 4.229 . 0 0 "[ . 1 . 2]" 3
208 1 55 THR H 1 56 GLY H . . 3.780 2.933 2.742 3.041 . 0 0 "[ . 1 . 2]" 3
209 1 54 GLY H 1 55 THR H . . 4.830 4.638 4.605 4.647 . 0 0 "[ . 1 . 2]" 3
210 1 55 THR H 1 55 THR MG . . 3.570 2.333 2.112 2.426 . 0 0 "[ . 1 . 2]" 3
211 1 40 HIS HB2 1 42 ASP H . . 4.080 3.292 3.200 3.370 . 0 0 "[ . 1 . 2]" 3
212 1 40 HIS HB3 1 42 ASP H . . 3.770 2.472 2.389 2.547 . 0 0 "[ . 1 . 2]" 3
213 1 42 ASP H 1 42 ASP HB2 . . 3.720 3.231 2.300 3.702 . 0 0 "[ . 1 . 2]" 3
214 1 41 LYS HB2 1 42 ASP H . . 4.460 4.203 4.140 4.250 . 0 0 "[ . 1 . 2]" 3
215 1 41 LYS QG 1 42 ASP H . . 4.160 3.662 3.599 3.796 . 0 0 "[ . 1 . 2]" 3
216 1 70 CYS HA 1 73 THR H . . 3.820 3.653 3.491 3.785 . 0 0 "[ . 1 . 2]" 3
217 1 72 GLU HB2 1 73 THR H . . 3.620 2.701 2.527 2.890 . 0 0 "[ . 1 . 2]" 3
218 1 72 GLU HB3 1 73 THR H . . 3.650 3.580 3.383 3.656 0.006 20 0 "[ . 1 . 2]" 3
219 1 53 ILE H 1 54 GLY H . . 3.400 2.354 2.275 2.432 . 0 0 "[ . 1 . 2]" 3
220 1 44 PHE HB3 1 54 GLY H . . 4.140 2.131 1.956 2.248 . 0 0 "[ . 1 . 2]" 3
221 1 53 ILE HB 1 54 GLY H . . 3.690 2.555 2.462 2.640 . 0 0 "[ . 1 . 2]" 3
222 1 44 PHE QD 1 54 GLY H . . 4.380 2.305 2.038 2.639 . 0 0 "[ . 1 . 2]" 3
223 1 53 ILE MG 1 56 GLY H . . 3.730 3.671 3.529 3.740 0.010 5 0 "[ . 1 . 2]" 3
224 1 19 LYS H 1 20 GLY H . . 4.420 2.036 1.950 2.102 . 0 0 "[ . 1 . 2]" 3
225 1 53 ILE H 1 53 ILE MG . . 4.300 3.790 3.775 3.805 . 0 0 "[ . 1 . 2]" 3
226 1 35 LYS H 1 36 GLY H . . 4.130 2.851 2.755 2.973 . 0 0 "[ . 1 . 2]" 3
227 1 36 GLY H 1 37 THR H . . 3.850 3.600 3.370 3.758 . 0 0 "[ . 1 . 2]" 3
228 1 33 GLU HG3 1 36 GLY H . . 4.690 4.350 3.506 4.601 . 0 0 "[ . 1 . 2]" 3
229 1 33 GLU HG2 1 36 GLY H . . 4.180 2.905 2.465 3.089 . 0 0 "[ . 1 . 2]" 3
230 1 35 LYS HB2 1 36 GLY H . . 4.380 4.280 4.130 4.386 0.006 6 0 "[ . 1 . 2]" 3
231 1 19 LYS HG3 1 39 TRP HE1 . . 4.660 3.329 2.353 4.015 . 0 0 "[ . 1 . 2]" 3
232 1 19 LYS HB3 1 39 TRP HE1 . . 4.830 1.964 1.887 2.299 . 0 0 "[ . 1 . 2]" 3
233 1 47 SER H 1 66 TYR HA . . 4.040 3.048 2.670 3.302 . 0 0 "[ . 1 . 2]" 3
234 1 47 SER H 1 65 PHE HB2 . . 4.660 4.294 3.650 4.666 0.006 10 0 "[ . 1 . 2]" 3
235 1 47 SER H 1 53 ILE MD . . 4.320 4.055 3.886 4.218 . 0 0 "[ . 1 . 2]" 3
236 1 26 VAL H 1 26 VAL HB . . 3.810 3.723 3.693 3.765 . 0 0 "[ . 1 . 2]" 3
237 1 25 ILE MD 1 26 VAL H . . 4.710 4.624 4.442 4.735 0.025 17 0 "[ . 1 . 2]" 3
238 1 59 PHE H 1 66 TYR H . . 3.710 3.459 3.229 3.604 . 0 0 "[ . 1 . 2]" 3
239 1 18 CYS H 1 25 ILE MG . . 5.440 5.267 5.039 5.374 . 0 0 "[ . 1 . 2]" 3
240 1 21 CYS H 1 22 PHE HA . . 4.500 4.417 4.258 4.518 0.018 8 0 "[ . 1 . 2]" 3
241 1 21 CYS H 1 22 PHE H . . 3.050 2.159 2.001 2.263 . 0 0 "[ . 1 . 2]" 3
242 1 22 PHE H 1 23 LYS H . . 3.270 2.550 2.504 2.653 . 0 0 "[ . 1 . 2]" 3
243 1 26 VAL H 1 27 ALA H . . 4.930 4.460 4.441 4.486 . 0 0 "[ . 1 . 2]" 3
244 1 26 VAL H 1 31 ASN HD22 . . 5.230 3.526 3.164 4.175 . 0 0 "[ . 1 . 2]" 3
245 1 26 VAL HB 1 29 ASP H . . 5.250 3.658 3.545 3.734 . 0 0 "[ . 1 . 2]" 3
246 1 31 ASN H 1 31 ASN HD22 . . 5.010 3.837 3.325 4.122 . 0 0 "[ . 1 . 2]" 3
247 1 25 ILE MD 1 32 VAL H . . 5.050 4.093 3.809 4.225 . 0 0 "[ . 1 . 2]" 3
248 1 39 TRP HD1 1 40 HIS H . . 4.930 4.645 4.385 4.843 . 0 0 "[ . 1 . 2]" 3
249 1 43 CYS H 1 52 VAL MG2 . . 5.030 5.018 4.947 5.048 0.018 18 0 "[ . 1 . 2]" 3
250 1 43 CYS H 1 45 THR MG . . 5.190 5.068 4.964 5.154 . 0 0 "[ . 1 . 2]" 3
251 1 32 VAL MG2 1 43 CYS H . . 5.500 5.466 5.277 5.515 0.015 5 0 "[ . 1 . 2]" 3
252 1 43 CYS H 1 44 PHE HA . . 5.480 5.234 5.190 5.270 . 0 0 "[ . 1 . 2]" 3
253 1 47 SER H 1 66 TYR QD . . 4.830 4.632 4.421 4.838 0.008 14 0 "[ . 1 . 2]" 3
254 1 48 ASN H 1 48 ASN HD21 . . 4.300 4.153 4.053 4.314 0.014 16 0 "[ . 1 . 2]" 3
255 1 48 ASN HD21 1 49 CYS H . . 4.180 2.204 1.978 2.917 . 0 0 "[ . 1 . 2]" 3
256 1 53 ILE MG 1 58 PHE H . . 4.830 4.259 4.097 4.392 . 0 0 "[ . 1 . 2]" 3
257 1 58 PHE H 1 68 VAL MG2 . . 5.130 3.636 3.132 3.928 . 0 0 "[ . 1 . 2]" 3
258 1 53 ILE MG 1 59 PHE H . . 5.220 4.817 4.693 4.968 . 0 0 "[ . 1 . 2]" 3
259 1 61 LYS H 1 64 ASP H . . 4.100 3.719 2.802 4.105 0.005 8 0 "[ . 1 . 2]" 3
260 1 65 PHE H 1 65 PHE HB3 . . 4.090 3.809 3.687 3.920 . 0 0 "[ . 1 . 2]" 3
261 1 70 CYS H 1 71 HIS H . . 3.320 2.994 2.894 3.046 . 0 0 "[ . 1 . 2]" 3
262 1 74 LYS H 1 75 PHE H . . 3.350 2.766 2.515 3.064 . 0 0 "[ . 1 . 2]" 3
263 1 73 THR H 1 74 LYS H . . 3.250 2.301 2.186 2.414 . 0 0 "[ . 1 . 2]" 3
264 1 72 GLU H 1 73 THR H . . 3.200 2.571 2.396 2.670 . 0 0 "[ . 1 . 2]" 3
265 1 19 LYS HB2 1 39 TRP HE1 . . 4.830 3.315 2.131 3.674 . 0 0 "[ . 1 . 2]" 3
266 1 19 LYS HA 1 39 TRP HE1 . . 5.500 4.828 4.616 4.887 . 0 0 "[ . 1 . 2]" 3
267 1 48 ASN HD22 1 49 CYS H . . 5.130 3.867 3.645 4.511 . 0 0 "[ . 1 . 2]" 3
268 1 41 LYS H 1 42 ASP H . . 3.690 2.867 2.828 2.914 . 0 0 "[ . 1 . 2]" 3
269 1 18 CYS H 1 25 ILE H . . 4.210 3.649 3.342 3.892 . 0 0 "[ . 1 . 2]" 3
270 1 43 CYS H 1 44 PHE H . . 2.730 2.631 2.576 2.676 . 0 0 "[ . 1 . 2]" 3
271 1 73 THR H 1 73 THR HB . . 3.070 2.810 2.712 2.892 . 0 0 "[ . 1 . 2]" 3
272 1 72 GLU HG3 1 73 THR H . . 5.120 4.821 4.322 5.108 . 0 0 "[ . 1 . 2]" 3
273 1 61 LYS HB3 1 64 ASP H . . 5.210 4.732 3.606 5.224 0.014 10 0 "[ . 1 . 2]" 3
274 1 61 LYS HB2 1 64 ASP H . . 5.210 4.478 3.773 5.210 . 0 0 "[ . 1 . 2]" 3
275 1 29 ASP HA 1 30 GLN H . . 2.720 2.280 2.194 2.537 . 0 0 "[ . 1 . 2]" 3
276 1 18 CYS H 1 23 LYS H . . 3.710 3.283 3.173 3.459 . 0 0 "[ . 1 . 2]" 3
277 1 59 PHE QD 1 71 HIS H . . 4.890 4.430 4.114 4.892 0.002 20 0 "[ . 1 . 2]" 3
278 1 25 ILE H 1 26 VAL H . . 4.910 4.540 4.521 4.560 . 0 0 "[ . 1 . 2]" 3
279 1 26 VAL H 1 29 ASP H . . 5.500 4.458 4.329 4.513 . 0 0 "[ . 1 . 2]" 3
280 1 62 GLY HA3 1 63 GLU HB2 . . 5.500 4.336 3.986 4.622 . 0 0 "[ . 1 . 2]" 3
281 1 62 GLY HA3 1 63 GLU HB3 . . 5.500 4.906 4.405 5.575 0.075 16 0 "[ . 1 . 2]" 3
282 1 44 PHE HB3 1 54 GLY HA2 . . 4.310 2.451 2.339 2.582 . 0 0 "[ . 1 . 2]" 3
283 1 41 LYS HB2 1 54 GLY HA2 . . 4.270 4.174 4.011 4.275 0.005 6 0 "[ . 1 . 2]" 3
284 1 41 LYS QG 1 54 GLY HA2 . . 3.570 3.167 3.010 3.322 . 0 0 "[ . 1 . 2]" 3
285 1 53 ILE HB 1 54 GLY HA2 . . 4.770 4.437 4.378 4.485 . 0 0 "[ . 1 . 2]" 3
286 1 54 GLY HA2 1 55 THR MG . . 5.130 4.483 4.389 4.554 . 0 0 "[ . 1 . 2]" 3
287 1 32 VAL MG2 1 54 GLY HA2 . . 4.230 2.316 2.040 2.561 . 0 0 "[ . 1 . 2]" 3
288 1 54 GLY HA3 1 55 THR H . . 3.230 2.274 2.180 2.341 . 0 0 "[ . 1 . 2]" 3
289 1 41 LYS HB2 1 54 GLY HA3 . . 4.290 4.143 3.957 4.237 . 0 0 "[ . 1 . 2]" 3
290 1 41 LYS QG 1 54 GLY HA3 . . 3.550 2.188 2.020 2.307 . 0 0 "[ . 1 . 2]" 3
291 1 54 GLY HA3 1 56 GLY H . . 4.370 3.591 3.437 3.789 . 0 0 "[ . 1 . 2]" 3
292 1 52 VAL MG1 1 54 GLY HA3 . . 3.570 3.243 3.175 3.299 . 0 0 "[ . 1 . 2]" 3
293 1 32 VAL MG2 1 54 GLY HA3 . . 4.520 3.519 3.265 3.729 . 0 0 "[ . 1 . 2]" 3
294 1 20 GLY HA3 1 39 TRP HD1 . . 3.860 3.165 2.983 3.335 . 0 0 "[ . 1 . 2]" 3
295 1 20 GLY HA3 1 43 CYS HB3 . . 3.630 2.952 2.796 3.122 . 0 0 "[ . 1 . 2]" 3
296 1 20 GLY HA3 1 43 CYS HB2 . . 4.710 4.566 4.398 4.730 0.020 5 0 "[ . 1 . 2]" 3
297 1 20 GLY HA2 1 39 TRP HE1 . . 4.690 4.348 3.946 4.648 . 0 0 "[ . 1 . 2]" 3
298 1 20 GLY HA2 1 39 TRP HD1 . . 4.000 3.886 3.653 4.005 0.005 6 0 "[ . 1 . 2]" 3
299 1 27 ALA MB 1 28 GLY HA2 . . 4.670 3.620 3.554 3.747 . 0 0 "[ . 1 . 2]" 3
300 1 78 GLY HA2 1 79 PRO QD . . 3.150 2.309 1.873 3.152 0.002 9 0 "[ . 1 . 2]" 3
301 1 78 GLY HA3 1 79 PRO QD . . 3.150 2.429 1.863 3.060 . 0 0 "[ . 1 . 2]" 3
302 1 56 GLY HA2 1 57 SER H . . 3.010 2.269 2.215 2.308 . 0 0 "[ . 1 . 2]" 3
303 1 55 THR MG 1 56 GLY HA2 . . 5.500 5.426 5.409 5.448 . 0 0 "[ . 1 . 2]" 3
304 1 56 GLY HA2 1 68 VAL MG2 . . 5.500 5.112 4.975 5.377 . 0 0 "[ . 1 . 2]" 3
305 1 53 ILE MG 1 56 GLY HA2 . . 4.150 4.126 4.058 4.161 0.011 13 0 "[ . 1 . 2]" 3
306 1 56 GLY H 1 56 GLY HA3 . . 2.920 2.322 2.310 2.330 . 0 0 "[ . 1 . 2]" 3
307 1 56 GLY HA3 1 57 SER H . . 3.070 2.913 2.856 3.004 . 0 0 "[ . 1 . 2]" 3
308 1 64 ASP HB2 1 66 TYR QE . . 3.700 2.280 2.024 2.695 . 0 0 "[ . 1 . 2]" 3
309 1 64 ASP HB2 1 65 PHE H . . 3.690 3.535 3.186 3.690 . 0 0 "[ . 1 . 2]" 3
310 1 64 ASP HB3 1 66 TYR QE . . 3.700 2.545 2.044 3.044 . 0 0 "[ . 1 . 2]" 3
311 1 47 SER HB3 1 64 ASP HB3 . . 4.730 2.831 2.086 3.297 . 0 0 "[ . 1 . 2]" 3
312 1 25 ILE MD 1 31 ASN HD21 . . 4.720 4.311 3.835 4.583 . 0 0 "[ . 1 . 2]" 3
313 1 25 ILE MD 1 31 ASN HD22 . . 4.740 4.577 4.398 4.761 0.021 8 0 "[ . 1 . 2]" 3
314 1 25 ILE MD 1 40 HIS H . . 3.500 2.567 2.439 2.693 . 0 0 "[ . 1 . 2]" 3
315 1 25 ILE MD 1 39 TRP H . . 4.110 3.843 3.668 3.959 . 0 0 "[ . 1 . 2]" 3
316 1 19 LYS H 1 25 ILE MD . . 4.150 3.791 3.623 4.058 . 0 0 "[ . 1 . 2]" 3
317 1 18 CYS H 1 25 ILE MD . . 3.720 3.541 3.368 3.690 . 0 0 "[ . 1 . 2]" 3
318 1 25 ILE H 1 25 ILE MD . . 4.210 3.970 3.917 4.028 . 0 0 "[ . 1 . 2]" 3
319 1 25 ILE MD 1 40 HIS HD2 . . 4.170 3.249 2.891 3.556 . 0 0 "[ . 1 . 2]" 3
320 1 25 ILE MD 1 39 TRP HA . . 3.570 2.925 2.828 3.093 . 0 0 "[ . 1 . 2]" 3
321 1 25 ILE MD 1 40 HIS HA . . 3.910 2.975 2.816 3.156 . 0 0 "[ . 1 . 2]" 3
322 1 25 ILE HA 1 25 ILE MD . . 3.760 3.691 3.612 3.777 0.017 6 0 "[ . 1 . 2]" 3
323 1 18 CYS HB3 1 25 ILE MD . . 3.730 3.388 3.323 3.523 . 0 0 "[ . 1 . 2]" 3
324 1 25 ILE MD 1 31 ASN HB2 . . 3.850 3.511 2.802 3.803 . 0 0 "[ . 1 . 2]" 3
325 1 25 ILE MD 1 31 ASN HB3 . . 3.850 2.679 2.361 2.808 . 0 0 "[ . 1 . 2]" 3
326 1 18 CYS HB2 1 25 ILE MD . . 3.230 1.965 1.920 2.101 . 0 0 "[ . 1 . 2]" 3
327 1 16 PRO QG 1 25 ILE MD . . 4.110 4.087 3.932 4.138 0.028 18 0 "[ . 1 . 2]" 3
328 1 25 ILE HB 1 25 ILE MD . . 3.090 2.618 2.552 2.669 . 0 0 "[ . 1 . 2]" 3
329 1 53 ILE MD 1 67 CYS H . . 3.560 2.906 2.557 3.217 . 0 0 "[ . 1 . 2]" 3
330 1 53 ILE MD 1 59 PHE H . . 4.340 3.958 3.777 4.128 . 0 0 "[ . 1 . 2]" 3
331 1 53 ILE H 1 53 ILE MD . . 4.010 3.599 3.468 3.740 . 0 0 "[ . 1 . 2]" 3
332 1 53 ILE MD 1 68 VAL H . . 4.450 3.933 3.743 4.307 . 0 0 "[ . 1 . 2]" 3
333 1 46 CYS H 1 53 ILE MD . . 3.910 3.357 3.197 3.502 . 0 0 "[ . 1 . 2]" 3
334 1 53 ILE MD 1 58 PHE QD . . 4.240 4.064 3.609 4.241 0.001 2 0 "[ . 1 . 2]" 3
335 1 44 PHE QD 1 53 ILE MD . . 4.170 3.535 3.343 3.750 . 0 0 "[ . 1 . 2]" 3
336 1 44 PHE QE 1 53 ILE MD . . 3.850 2.818 2.653 3.092 . 0 0 "[ . 1 . 2]" 3
337 1 45 THR HA 1 53 ILE MD . . 4.040 3.684 3.350 3.888 . 0 0 "[ . 1 . 2]" 3
338 1 44 PHE HZ 1 53 ILE MD . . 4.250 3.612 3.170 3.874 . 0 0 "[ . 1 . 2]" 3
339 1 53 ILE HA 1 53 ILE MD . . 3.930 3.871 3.833 3.904 . 0 0 "[ . 1 . 2]" 3
340 1 53 ILE MD 1 58 PHE HB3 . . 3.400 2.700 2.254 2.929 . 0 0 "[ . 1 . 2]" 3
341 1 53 ILE MD 1 67 CYS HB3 . . 3.520 1.971 1.904 2.066 . 0 0 "[ . 1 . 2]" 3
342 1 46 CYS HB2 1 53 ILE MD . . 3.370 2.391 2.053 2.814 . 0 0 "[ . 1 . 2]" 3
343 1 53 ILE MD 1 58 PHE HB2 . . 3.670 2.799 2.259 3.060 . 0 0 "[ . 1 . 2]" 3
344 1 53 ILE MD 1 65 PHE HB3 . . 3.620 3.338 3.006 3.624 0.004 6 0 "[ . 1 . 2]" 3
345 1 53 ILE HB 1 53 ILE MD . . 3.040 2.295 2.216 2.381 . 0 0 "[ . 1 . 2]" 3
346 1 19 LYS HA 1 19 LYS QE . . 4.390 4.109 3.500 4.447 0.057 19 0 "[ . 1 . 2]" 3
347 1 19 LYS QE 1 22 PHE HZ . . 5.330 4.745 3.850 5.341 0.011 18 0 "[ . 1 . 2]" 3
348 1 19 LYS QE 1 39 TRP HZ2 . . 5.500 4.266 2.741 5.430 . 0 0 "[ . 1 . 2]" 3
349 1 19 LYS QE 1 19 LYS HG3 . . 3.450 2.520 2.090 3.410 . 0 0 "[ . 1 . 2]" 3
350 1 19 LYS QE 1 19 LYS HG2 . . 3.450 2.543 2.199 3.241 . 0 0 "[ . 1 . 2]" 3
351 1 50 LYS QE 1 50 LYS HG3 . . 3.720 2.488 2.115 3.383 . 0 0 "[ . 1 . 2]" 3
352 1 50 LYS QE 1 50 LYS HG2 . . 3.720 2.749 2.055 3.477 . 0 0 "[ . 1 . 2]" 3
353 1 23 LYS QE 1 23 LYS HG2 . . 3.570 2.419 2.061 3.222 . 0 0 "[ . 1 . 2]" 3
354 1 58 PHE HB3 1 59 PHE H . . 3.710 3.642 3.497 3.724 0.014 19 0 "[ . 1 . 2]" 3
355 1 17 LYS QE 1 23 LYS HA . . 4.600 3.992 3.463 4.586 . 0 0 "[ . 1 . 2]" 3
356 1 17 LYS QE 1 17 LYS HG3 . . 3.540 2.290 2.089 2.566 . 0 0 "[ . 1 . 2]" 3
357 1 17 LYS QE 1 24 ALA MB . . 3.770 3.154 2.239 3.786 0.016 9 0 "[ . 1 . 2]" 3
358 1 17 LYS QE 1 17 LYS HG2 . . 3.540 2.741 2.514 3.039 . 0 0 "[ . 1 . 2]" 3
359 1 58 PHE HB2 1 59 PHE QD . . 5.500 4.582 4.319 4.828 . 0 0 "[ . 1 . 2]" 3
360 1 58 PHE HB2 1 65 PHE QD . . 5.500 4.206 3.322 5.145 . 0 0 "[ . 1 . 2]" 3
361 1 44 PHE HZ 1 58 PHE HB2 . . 4.700 3.156 2.564 3.569 . 0 0 "[ . 1 . 2]" 3
362 1 58 PHE HB3 1 67 CYS HA . . 4.800 3.420 2.948 3.699 . 0 0 "[ . 1 . 2]" 3
363 1 35 LYS HA 1 35 LYS HE2 . . 5.410 5.017 3.477 5.477 0.067 4 0 "[ . 1 . 2]" 3
364 1 35 LYS HB3 1 35 LYS HE2 . . 4.520 4.163 3.489 4.517 . 0 0 "[ . 1 . 2]" 3
365 1 35 LYS HE2 1 35 LYS HG2 . . 3.950 3.101 2.325 3.674 . 0 0 "[ . 1 . 2]" 3
366 1 35 LYS HE2 1 35 LYS HG3 . . 3.950 2.748 2.165 3.899 . 0 0 "[ . 1 . 2]" 3
367 1 17 LYS QE 1 24 ALA H . . 4.520 3.513 2.814 4.189 . 0 0 "[ . 1 . 2]" 3
368 1 17 LYS H 1 17 LYS QE . . 5.500 5.412 5.258 5.538 0.038 2 0 "[ . 1 . 2]" 3
369 1 17 LYS QE 1 24 ALA HA . . 4.690 3.946 3.277 4.359 . 0 0 "[ . 1 . 2]" 3
370 1 34 TYR QE 1 35 LYS HE3 . . 4.270 2.818 2.141 4.174 . 0 0 "[ . 1 . 2]" 3
371 1 35 LYS HB3 1 35 LYS HE3 . . 4.520 3.704 2.722 4.526 0.006 14 0 "[ . 1 . 2]" 3
372 1 35 LYS HE3 1 35 LYS HG2 . . 3.950 3.377 2.153 3.924 . 0 0 "[ . 1 . 2]" 3
373 1 35 LYS HE3 1 35 LYS HG3 . . 3.950 2.697 2.266 3.256 . 0 0 "[ . 1 . 2]" 3
374 1 53 ILE MD 1 65 PHE HB2 . . 4.230 3.978 3.672 4.239 0.009 7 0 "[ . 1 . 2]" 3
375 1 58 PHE QD 1 65 PHE HB3 . . 4.260 3.854 3.233 4.264 0.004 3 0 "[ . 1 . 2]" 3
376 1 58 PHE HB2 1 65 PHE HB3 . . 4.280 3.731 3.067 4.125 . 0 0 "[ . 1 . 2]" 3
377 1 31 ASN H 1 31 ASN HB2 . . 4.160 3.190 2.999 3.629 . 0 0 "[ . 1 . 2]" 3
378 1 31 ASN HB2 1 40 HIS HA . . 4.730 4.022 3.438 4.241 . 0 0 "[ . 1 . 2]" 3
379 1 25 ILE MG 1 31 ASN HB2 . . 3.680 2.888 2.652 3.042 . 0 0 "[ . 1 . 2]" 3
380 1 31 ASN HB3 1 32 VAL H . . 3.250 2.596 2.310 3.269 0.019 2 0 "[ . 1 . 2]" 3
381 1 31 ASN H 1 31 ASN HB3 . . 4.160 3.816 3.473 3.967 . 0 0 "[ . 1 . 2]" 3
382 1 31 ASN HB3 1 40 HIS HA . . 4.730 2.536 2.384 2.685 . 0 0 "[ . 1 . 2]" 3
383 1 61 LYS QE 1 75 PHE HZ . . 4.550 2.808 1.982 3.873 . 0 0 "[ . 1 . 2]" 3
384 1 61 LYS QE 1 75 PHE QE . . 4.350 2.395 1.940 3.372 . 0 0 "[ . 1 . 2]" 3
385 1 61 LYS HA 1 61 LYS QE . . 4.830 3.783 1.914 4.616 . 0 0 "[ . 1 . 2]" 3
386 1 61 LYS HB2 1 61 LYS QE . . 4.330 3.775 1.956 4.386 0.056 16 0 "[ . 1 . 2]" 3
387 1 61 LYS HB3 1 61 LYS QE . . 4.330 3.940 3.376 4.359 0.029 6 0 "[ . 1 . 2]" 3
388 1 61 LYS QE 1 61 LYS HG3 . . 3.690 2.636 2.015 3.302 . 0 0 "[ . 1 . 2]" 3
389 1 61 LYS QE 1 61 LYS HG2 . . 3.690 2.438 2.120 3.166 . 0 0 "[ . 1 . 2]" 3
390 1 41 LYS QE 1 55 THR H . . 4.140 3.402 2.560 4.036 . 0 0 "[ . 1 . 2]" 3
391 1 30 GLN QB 1 41 LYS QE . . 3.920 3.772 3.560 3.928 0.008 7 0 "[ . 1 . 2]" 3
392 1 41 LYS QE 1 41 LYS QG . . 3.160 2.162 2.090 2.295 . 0 0 "[ . 1 . 2]" 3
393 1 41 LYS QE 1 55 THR MG . . 3.930 3.381 2.811 3.821 . 0 0 "[ . 1 . 2]" 3
394 1 41 LYS QE 1 52 VAL MG1 . . 4.590 4.451 4.201 4.589 . 0 0 "[ . 1 . 2]" 3
395 1 74 LYS HE2 1 75 PHE QD . . 5.500 5.100 4.334 5.502 0.002 5 0 "[ . 1 . 2]" 3
396 1 74 LYS HE2 1 75 PHE HZ . . 5.500 4.163 2.759 5.511 0.011 17 0 "[ . 1 . 2]" 3
397 1 74 LYS HE2 1 74 LYS HG3 . . 4.180 3.107 2.160 3.828 . 0 0 "[ . 1 . 2]" 3
398 1 74 LYS HE3 1 75 PHE QD . . 5.500 5.129 4.291 5.507 0.007 11 0 "[ . 1 . 2]" 3
399 1 74 LYS HE3 1 74 LYS HG2 . . 4.180 3.097 2.260 4.212 0.032 17 0 "[ . 1 . 2]" 3
400 1 66 TYR H 1 66 TYR HB3 . . 3.690 3.651 3.598 3.718 0.028 13 0 "[ . 1 . 2]" 3
401 1 66 TYR HB3 1 70 CYS HB3 . . 3.780 2.796 2.506 3.030 . 0 0 "[ . 1 . 2]" 3
402 1 66 TYR HB2 1 67 CYS H . . 4.510 4.246 3.916 4.433 . 0 0 "[ . 1 . 2]" 3
403 1 66 TYR HB2 1 71 HIS H . . 4.780 4.621 4.386 4.775 . 0 0 "[ . 1 . 2]" 3
404 1 59 PHE QD 1 66 TYR HB2 . . 5.460 4.749 4.474 5.088 . 0 0 "[ . 1 . 2]" 3
405 1 66 TYR HB2 1 75 PHE QE . . 5.500 4.033 3.247 4.568 . 0 0 "[ . 1 . 2]" 3
406 1 66 TYR HB2 1 71 HIS HA . . 4.670 4.492 4.255 4.692 0.022 17 0 "[ . 1 . 2]" 3
407 1 66 TYR HB2 1 71 HIS HB2 . . 3.800 3.221 2.932 3.450 . 0 0 "[ . 1 . 2]" 3
408 1 74 LYS HE2 1 74 LYS HG2 . . 4.180 3.144 2.207 3.859 . 0 0 "[ . 1 . 2]" 3
409 1 74 LYS HE3 1 74 LYS HG3 . . 4.180 2.908 2.140 3.718 . 0 0 "[ . 1 . 2]" 3
410 1 26 VAL HA 1 29 ASP HB2 . . 5.500 5.514 5.468 5.538 0.038 1 0 "[ . 1 . 2]" 3
411 1 26 VAL HB 1 29 ASP HB2 . . 4.650 4.354 4.225 4.410 . 0 0 "[ . 1 . 2]" 3
412 1 26 VAL MG2 1 29 ASP HB2 . . 4.470 1.853 1.824 1.873 . 0 0 "[ . 1 . 2]" 3
413 1 26 VAL H 1 29 ASP HB2 . . 3.970 3.728 3.650 3.772 . 0 0 "[ . 1 . 2]" 3
414 1 29 ASP HB2 1 30 GLN H . . 4.480 4.161 3.803 4.301 . 0 0 "[ . 1 . 2]" 3
415 1 29 ASP HB2 1 40 HIS HD2 . . 5.000 4.862 4.736 4.960 . 0 0 "[ . 1 . 2]" 3
416 1 29 ASP HB2 1 31 ASN HD22 . . 4.500 3.978 3.673 4.518 0.018 8 0 "[ . 1 . 2]" 3
417 1 26 VAL H 1 29 ASP HB3 . . 4.400 3.335 3.248 3.472 . 0 0 "[ . 1 . 2]" 3
418 1 29 ASP HB3 1 30 GLN H . . 4.010 3.537 3.006 3.760 . 0 0 "[ . 1 . 2]" 3
419 1 29 ASP H 1 29 ASP HB3 . . 3.570 2.853 2.804 2.875 . 0 0 "[ . 1 . 2]" 3
420 1 29 ASP HB3 1 40 HIS HD2 . . 3.850 3.639 3.499 3.862 0.012 17 0 "[ . 1 . 2]" 3
421 1 25 ILE HA 1 29 ASP HB3 . . 5.500 4.930 4.821 5.021 . 0 0 "[ . 1 . 2]" 3
422 1 26 VAL HA 1 29 ASP HB3 . . 5.500 5.493 5.449 5.511 0.011 2 0 "[ . 1 . 2]" 3
423 1 26 VAL MG2 1 29 ASP HB3 . . 5.380 2.409 2.267 2.579 . 0 0 "[ . 1 . 2]" 3
424 1 25 ILE MG 1 29 ASP HB3 . . 3.630 3.091 2.974 3.221 . 0 0 "[ . 1 . 2]" 3
425 1 59 PHE H 1 59 PHE HB3 . . 3.810 3.787 3.750 3.823 0.013 15 0 "[ . 1 . 2]" 3
426 1 59 PHE HB3 1 66 TYR H . . 4.900 4.565 4.168 4.907 0.007 3 0 "[ . 1 . 2]" 3
427 1 59 PHE HB3 1 61 LYS QZ . . 4.210 2.773 1.678 4.164 . 0 0 "[ . 1 . 2]" 3
428 1 59 PHE HB2 1 61 LYS QZ . . 5.400 3.904 2.128 5.272 . 0 0 "[ . 1 . 2]" 3
429 1 59 PHE HB2 1 60 PRO HD2 . . 4.840 4.667 4.499 4.754 . 0 0 "[ . 1 . 2]" 3
430 1 34 TYR HB2 1 39 TRP HZ3 . . 4.850 3.303 2.861 3.623 . 0 0 "[ . 1 . 2]" 3
431 1 34 TYR HB3 1 39 TRP HZ3 . . 4.850 2.079 1.978 2.346 . 0 0 "[ . 1 . 2]" 3
432 1 45 THR HB 1 53 ILE H . . 4.640 4.637 4.570 4.666 0.026 6 0 "[ . 1 . 2]" 3
433 1 45 THR HB 1 46 CYS H . . 3.090 2.254 2.140 2.356 . 0 0 "[ . 1 . 2]" 3
434 1 45 THR HB 1 50 LYS HA . . 3.180 3.010 2.677 3.086 . 0 0 "[ . 1 . 2]" 3
435 1 45 THR HB 1 46 CYS HB2 . . 4.980 4.812 4.679 4.890 . 0 0 "[ . 1 . 2]" 3
436 1 45 THR HB 1 50 LYS HB3 . . 4.630 4.036 3.862 4.148 . 0 0 "[ . 1 . 2]" 3
437 1 45 THR HB 1 52 VAL MG2 . . 4.710 4.111 3.998 4.277 . 0 0 "[ . 1 . 2]" 3
438 1 48 ASN HB3 1 66 TYR QD . . 4.320 3.599 3.407 3.832 . 0 0 "[ . 1 . 2]" 3
439 1 48 ASN HB3 1 48 ASN HD21 . . 3.240 2.300 2.233 2.379 . 0 0 "[ . 1 . 2]" 3
440 1 48 ASN HB3 1 50 LYS H . . 4.860 4.205 4.130 4.399 . 0 0 "[ . 1 . 2]" 3
441 1 48 ASN HB3 1 48 ASN HD22 . . 3.980 3.507 3.480 3.538 . 0 0 "[ . 1 . 2]" 3
442 1 42 ASP H 1 42 ASP HB3 . . 3.720 3.104 2.254 3.698 . 0 0 "[ . 1 . 2]" 3
443 1 42 ASP HB3 1 52 VAL MG1 . . 4.710 3.826 3.445 4.330 . 0 0 "[ . 1 . 2]" 3
444 1 48 ASN H 1 48 ASN HB2 . . 3.250 2.918 2.867 2.996 . 0 0 "[ . 1 . 2]" 3
445 1 48 ASN HB2 1 48 ASN HD21 . . 3.530 3.499 3.461 3.529 . 0 0 "[ . 1 . 2]" 3
446 1 48 ASN HB2 1 49 CYS H . . 3.740 3.673 3.602 3.773 0.033 16 0 "[ . 1 . 2]" 3
447 1 48 ASN HB2 1 66 TYR QD . . 4.020 3.271 3.097 3.600 . 0 0 "[ . 1 . 2]" 3
448 1 48 ASN HB2 1 70 CYS HB2 . . 5.500 5.232 5.107 5.289 . 0 0 "[ . 1 . 2]" 3
449 1 75 PHE HB3 1 76 ALA H . . 4.480 2.995 2.748 3.463 . 0 0 "[ . 1 . 2]" 3
450 1 71 HIS HA 1 75 PHE HB3 . . 5.500 5.416 5.100 5.531 0.031 17 0 "[ . 1 . 2]" 3
451 1 75 PHE HB2 1 76 ALA H . . 4.310 2.031 1.893 2.324 . 0 0 "[ . 1 . 2]" 3
452 1 53 ILE H 1 53 ILE HB . . 3.430 2.526 2.481 2.568 . 0 0 "[ . 1 . 2]" 3
453 1 52 VAL HA 1 53 ILE HB . . 4.830 4.659 4.613 4.707 . 0 0 "[ . 1 . 2]" 3
454 1 44 PHE HB3 1 45 THR H . . 4.750 4.260 4.145 4.351 . 0 0 "[ . 1 . 2]" 3
455 1 39 TRP HB2 1 44 PHE HB3 . . 4.060 3.785 3.665 4.012 . 0 0 "[ . 1 . 2]" 3
456 1 39 TRP HB3 1 44 PHE HB3 . . 4.330 4.065 3.952 4.187 . 0 0 "[ . 1 . 2]" 3
457 1 44 PHE HB2 1 54 GLY H . . 4.750 3.876 3.697 4.004 . 0 0 "[ . 1 . 2]" 3
458 1 39 TRP HB3 1 44 PHE HB2 . . 3.960 2.594 2.419 2.712 . 0 0 "[ . 1 . 2]" 3
459 1 39 TRP HB2 1 44 PHE HB2 . . 3.720 2.083 1.990 2.318 . 0 0 "[ . 1 . 2]" 3
460 1 25 ILE HB 1 26 VAL H . . 4.260 3.673 3.473 3.838 . 0 0 "[ . 1 . 2]" 3
461 1 16 PRO QG 1 25 ILE HB . . 3.790 2.130 1.994 2.207 . 0 0 "[ . 1 . 2]" 3
462 1 24 ALA MB 1 25 ILE HB . . 5.270 5.249 5.188 5.290 0.020 13 0 "[ . 1 . 2]" 3
463 1 25 ILE HB 1 38 VAL MG2 . . 4.460 3.124 2.941 3.394 . 0 0 "[ . 1 . 2]" 3
464 1 34 TYR H 1 37 THR HB . . 4.900 4.261 3.681 4.600 . 0 0 "[ . 1 . 2]" 3
465 1 37 THR HB 1 38 VAL H . . 4.240 2.811 2.109 3.640 . 0 0 "[ . 1 . 2]" 3
466 1 37 THR H 1 37 THR HB . . 3.630 3.354 2.840 3.620 . 0 0 "[ . 1 . 2]" 3
467 1 37 THR HB 1 39 TRP HH2 . . 4.340 2.581 2.141 3.247 . 0 0 "[ . 1 . 2]" 3
468 1 37 THR HB 1 39 TRP HZ3 . . 4.670 3.168 2.812 3.699 . 0 0 "[ . 1 . 2]" 3
469 1 22 PHE HB2 1 23 LYS H . . 4.600 4.130 4.021 4.202 . 0 0 "[ . 1 . 2]" 3
470 1 17 LYS HD2 1 22 PHE HB2 . . 5.500 5.511 5.477 5.534 0.034 13 0 "[ . 1 . 2]" 3
471 1 22 PHE HB3 1 23 LYS H . . 4.660 4.500 4.421 4.519 . 0 0 "[ . 1 . 2]" 3
472 1 22 PHE H 1 22 PHE HB3 . . 4.090 4.063 4.056 4.090 . 13 0 "[ . 1 . 2]" 3
473 1 17 LYS HD2 1 22 PHE HB3 . . 4.910 4.372 4.171 4.428 . 0 0 "[ . 1 . 2]" 3
474 1 63 GLU H 1 63 GLU HG2 . . 5.050 4.596 3.724 5.039 . 0 0 "[ . 1 . 2]" 3
475 1 63 GLU H 1 63 GLU HG3 . . 5.050 4.474 3.500 4.930 . 0 0 "[ . 1 . 2]" 3
476 1 63 GLU HA 1 63 GLU HG3 . . 3.610 2.882 2.256 3.613 0.003 12 0 "[ . 1 . 2]" 3
477 1 69 THR HB 1 70 CYS H . . 3.230 2.075 2.033 2.197 . 0 0 "[ . 1 . 2]" 3
478 1 69 THR H 1 69 THR HB . . 3.020 2.650 2.586 2.689 . 0 0 "[ . 1 . 2]" 3
479 1 71 HIS HD2 1 72 GLU HG2 . . 4.660 2.898 2.600 3.338 . 0 0 "[ . 1 . 2]" 3
480 1 69 THR HA 1 72 GLU HG2 . . 4.620 3.657 3.255 4.070 . 0 0 "[ . 1 . 2]" 3
481 1 68 VAL MG2 1 72 GLU HG2 . . 4.850 4.491 4.156 4.849 . 0 0 "[ . 1 . 2]" 3
482 1 72 GLU H 1 72 GLU HG3 . . 3.780 3.364 2.483 3.757 . 0 0 "[ . 1 . 2]" 3
483 1 69 THR HA 1 72 GLU HG3 . . 4.620 2.760 2.321 3.079 . 0 0 "[ . 1 . 2]" 3
484 1 72 GLU HG3 1 76 ALA MB . . 4.830 4.660 4.387 4.871 0.041 8 0 "[ . 1 . 2]" 3
485 1 68 VAL MG2 1 72 GLU HG3 . . 4.850 4.605 4.327 4.793 . 0 0 "[ . 1 . 2]" 3
486 1 55 THR HA 1 55 THR HB . . 2.890 2.525 2.476 2.555 . 0 0 "[ . 1 . 2]" 3
487 1 33 GLU HG3 1 38 VAL HA . . 4.730 3.837 3.629 4.514 . 0 0 "[ . 1 . 2]" 3
488 1 33 GLU HG3 1 34 TYR H . . 4.200 3.733 3.330 4.131 . 0 0 "[ . 1 . 2]" 3
489 1 33 GLU HA 1 33 GLU HG3 . . 3.740 2.804 2.694 3.503 . 0 0 "[ . 1 . 2]" 3
490 1 33 GLU HG3 1 38 VAL MG2 . . 3.840 3.282 2.980 3.823 . 0 0 "[ . 1 . 2]" 3
491 1 33 GLU HG2 1 34 TYR H . . 3.930 2.409 1.932 2.888 . 0 0 "[ . 1 . 2]" 3
492 1 33 GLU H 1 33 GLU HG2 . . 4.550 4.496 4.477 4.514 . 0 0 "[ . 1 . 2]" 3
493 1 33 GLU HG2 1 38 VAL MG2 . . 4.340 4.256 3.947 4.344 0.004 9 0 "[ . 1 . 2]" 3
494 1 38 VAL HB 1 39 TRP H . . 4.270 4.105 3.999 4.202 . 0 0 "[ . 1 . 2]" 3
495 1 38 VAL H 1 38 VAL HB . . 3.880 3.437 3.067 3.552 . 0 0 "[ . 1 . 2]" 3
496 1 37 THR HA 1 38 VAL HB . . 4.720 4.454 4.313 4.594 . 0 0 "[ . 1 . 2]" 3
497 1 25 ILE HG13 1 38 VAL HB . . 5.500 5.498 5.341 5.555 0.055 4 0 "[ . 1 . 2]" 3
498 1 25 ILE MD 1 38 VAL HB . . 4.050 3.846 3.669 4.101 0.051 14 0 "[ . 1 . 2]" 3
499 1 51 GLN HA 1 51 GLN QG . . 3.360 2.752 2.339 3.432 0.072 10 0 "[ . 1 . 2]" 3
500 1 51 GLN H 1 51 GLN QG . . 3.330 2.817 2.159 3.215 . 0 0 "[ . 1 . 2]" 3
501 1 32 VAL HB 1 33 GLU H . . 4.340 4.323 4.250 4.365 0.025 20 0 "[ . 1 . 2]" 3
502 1 32 VAL HB 1 39 TRP HE3 . . 4.220 3.151 2.943 3.369 . 0 0 "[ . 1 . 2]" 3
503 1 32 VAL HB 1 39 TRP HB3 . . 4.680 4.543 4.407 4.701 0.021 6 0 "[ . 1 . 2]" 3
504 1 32 VAL HB 1 39 TRP HB2 . . 3.430 2.943 2.819 3.070 . 0 0 "[ . 1 . 2]" 3
505 1 32 VAL HB 1 44 PHE HB2 . . 4.410 2.987 2.797 3.271 . 0 0 "[ . 1 . 2]" 3
506 1 69 THR HA 1 72 GLU H . . 3.980 3.263 3.195 3.380 . 0 0 "[ . 1 . 2]" 3
507 1 69 THR HA 1 73 THR H . . 4.760 4.050 3.893 4.249 . 0 0 "[ . 1 . 2]" 3
508 1 68 VAL HB 1 69 THR HA . . 4.890 4.365 4.311 4.428 . 0 0 "[ . 1 . 2]" 3
509 1 69 THR HA 1 72 GLU HB2 . . 3.600 2.251 2.084 2.384 . 0 0 "[ . 1 . 2]" 3
510 1 69 THR HA 1 72 GLU HB3 . . 3.950 3.790 3.632 3.944 . 0 0 "[ . 1 . 2]" 3
511 1 69 THR HA 1 69 THR MG . . 2.840 2.418 2.332 2.478 . 0 0 "[ . 1 . 2]" 3
512 1 69 THR HA 1 73 THR MG . . 4.470 4.293 4.065 4.438 . 0 0 "[ . 1 . 2]" 3
513 1 67 CYS HA 1 68 VAL HA . . 4.310 4.298 4.294 4.303 . 0 0 "[ . 1 . 2]" 3
514 1 68 VAL HA 1 71 HIS H . . 4.040 3.779 3.709 3.886 . 0 0 "[ . 1 . 2]" 3
515 1 68 VAL HA 1 72 GLU H . . 4.130 4.140 4.118 4.161 0.031 16 0 "[ . 1 . 2]" 3
516 1 59 PHE HZ 1 68 VAL HA . . 4.820 4.441 4.279 4.651 . 0 0 "[ . 1 . 2]" 3
517 1 59 PHE QE 1 68 VAL HA . . 3.110 2.176 1.992 2.550 . 0 0 "[ . 1 . 2]" 3
518 1 59 PHE QD 1 68 VAL HA . . 3.400 2.342 2.000 2.650 . 0 0 "[ . 1 . 2]" 3
519 1 68 VAL HA 1 71 HIS HB3 . . 3.200 2.793 2.656 2.873 . 0 0 "[ . 1 . 2]" 3
520 1 68 VAL HA 1 68 VAL MG1 . . 3.110 2.505 2.475 2.539 . 0 0 "[ . 1 . 2]" 3
521 1 17 LYS HB2 1 17 LYS QE . . 4.560 4.207 4.052 4.420 . 0 0 "[ . 1 . 2]" 3
522 1 32 VAL HB 1 38 VAL HA . . 4.540 4.443 4.364 4.549 0.009 9 0 "[ . 1 . 2]" 3
523 1 23 LYS HB2 1 24 ALA H . . 4.160 4.093 3.875 4.159 . 0 0 "[ . 1 . 2]" 3
524 1 23 LYS H 1 23 LYS HB3 . . 3.830 3.718 3.688 3.738 . 0 0 "[ . 1 . 2]" 3
525 1 23 LYS HB3 1 40 HIS HE1 . . 3.750 3.594 3.406 3.717 . 0 0 "[ . 1 . 2]" 3
526 1 17 LYS HB3 1 24 ALA HA . . 4.560 4.231 4.185 4.444 . 0 0 "[ . 1 . 2]" 3
527 1 30 GLN H 1 30 GLN HG2 . . 4.300 3.766 2.706 4.289 . 0 0 "[ . 1 . 2]" 3
528 1 30 GLN H 1 30 GLN HG3 . . 4.300 3.472 2.264 4.280 . 0 0 "[ . 1 . 2]" 3
529 1 61 LYS H 1 61 LYS HB2 . . 3.790 2.492 2.231 2.677 . 0 0 "[ . 1 . 2]" 3
530 1 61 LYS HB2 1 66 TYR QD . . 4.750 2.372 2.000 2.708 . 0 0 "[ . 1 . 2]" 3
531 1 61 LYS HB3 1 66 TYR QD . . 4.750 3.748 2.656 4.097 . 0 0 "[ . 1 . 2]" 3
532 1 26 VAL HB 1 27 ALA H . . 3.550 2.026 1.958 2.087 . 0 0 "[ . 1 . 2]" 3
533 1 26 VAL HB 1 29 ASP HB3 . . 5.500 5.058 4.957 5.112 . 0 0 "[ . 1 . 2]" 3
534 1 70 CYS HA 1 70 CYS HB3 . . 3.020 2.654 2.621 2.675 . 0 0 "[ . 1 . 2]" 3
535 1 70 CYS HA 1 74 LYS H . . 4.250 3.829 3.531 4.136 . 0 0 "[ . 1 . 2]" 3
536 1 69 THR MG 1 70 CYS HA . . 4.000 3.196 3.029 3.334 . 0 0 "[ . 1 . 2]" 3
537 1 33 GLU HB3 1 34 TYR H . . 4.750 3.848 3.568 4.131 . 0 0 "[ . 1 . 2]" 3
538 1 33 GLU HB3 1 38 VAL MG2 . . 4.290 4.106 3.904 4.272 . 0 0 "[ . 1 . 2]" 3
539 1 33 GLU HB2 1 34 TYR H . . 4.670 4.259 4.068 4.438 . 0 0 "[ . 1 . 2]" 3
540 1 34 TYR QE 1 60 PRO QB . . 3.810 3.197 2.381 3.725 . 0 0 "[ . 1 . 2]" 3
541 1 58 PHE QE 1 60 PRO QB . . 3.720 2.768 2.092 3.291 . 0 0 "[ . 1 . 2]" 3
542 1 60 PRO QB 1 65 PHE QD . . 3.970 2.637 2.006 3.425 . 0 0 "[ . 1 . 2]" 3
543 1 60 PRO QB 1 65 PHE HA . . 4.540 4.064 3.570 4.508 . 0 0 "[ . 1 . 2]" 3
544 1 74 LYS HB2 1 75 PHE QD . . 4.580 4.179 3.869 4.586 0.006 8 0 "[ . 1 . 2]" 3
545 1 74 LYS HB2 1 75 PHE QE . . 5.220 4.716 4.212 5.229 0.009 11 0 "[ . 1 . 2]" 3
546 1 74 LYS HB3 1 75 PHE QD . . 4.580 2.508 2.147 3.150 . 0 0 "[ . 1 . 2]" 3
547 1 74 LYS HB3 1 75 PHE QE . . 5.220 3.551 3.066 3.996 . 0 0 "[ . 1 . 2]" 3
548 1 46 CYS H 1 52 VAL HA . . 4.090 3.988 3.857 4.136 0.046 16 0 "[ . 1 . 2]" 3
549 1 52 VAL HA 1 54 GLY H . . 4.210 3.874 3.806 3.980 . 0 0 "[ . 1 . 2]" 3
550 1 52 VAL HA 1 53 ILE H . . 2.700 2.148 2.141 2.167 . 0 0 "[ . 1 . 2]" 3
551 1 52 VAL HA 1 53 ILE HG13 . . 4.290 3.833 3.749 3.919 . 0 0 "[ . 1 . 2]" 3
552 1 45 THR MG 1 52 VAL HA . . 2.950 2.007 1.939 2.213 . 0 0 "[ . 1 . 2]" 3
553 1 21 CYS H 1 21 CYS HB2 . . 4.020 3.673 3.647 3.721 . 0 0 "[ . 1 . 2]" 3
554 1 21 CYS HA 1 21 CYS HB2 . . 2.880 2.448 2.436 2.466 . 0 0 "[ . 1 . 2]" 3
555 1 21 CYS HB2 1 23 LYS HG3 . . 4.180 2.459 2.206 2.571 . 0 0 "[ . 1 . 2]" 3
556 1 48 ASN HD21 1 49 CYS HB2 . . 4.600 3.861 3.737 4.150 . 0 0 "[ . 1 . 2]" 3
557 1 49 CYS H 1 49 CYS HB2 . . 3.660 3.632 3.609 3.695 0.035 16 0 "[ . 1 . 2]" 3
558 1 21 CYS HB2 1 23 LYS H . . 4.630 4.011 3.744 4.158 . 0 0 "[ . 1 . 2]" 3
559 1 49 CYS HB2 1 51 GLN H . . 5.160 4.264 4.123 4.467 . 0 0 "[ . 1 . 2]" 3
560 1 49 CYS HB2 1 50 LYS H . . 4.550 4.055 3.902 4.408 . 0 0 "[ . 1 . 2]" 3
561 1 21 CYS HB3 1 23 LYS H . . 4.800 4.647 4.460 4.772 . 0 0 "[ . 1 . 2]" 3
562 1 21 CYS H 1 21 CYS HB3 . . 3.810 2.826 2.752 2.982 . 0 0 "[ . 1 . 2]" 3
563 1 21 CYS HA 1 21 CYS HB3 . . 2.990 2.458 2.440 2.471 . 0 0 "[ . 1 . 2]" 3
564 1 48 ASN HD21 1 49 CYS HB3 . . 4.600 2.280 2.173 2.518 . 0 0 "[ . 1 . 2]" 3
565 1 49 CYS HB3 1 50 LYS H . . 4.550 4.136 4.064 4.355 . 0 0 "[ . 1 . 2]" 3
566 1 72 GLU HB3 1 73 THR HA . . 4.900 4.357 4.225 4.448 . 0 0 "[ . 1 . 2]" 3
567 1 73 THR HA 1 73 THR MG . . 3.240 3.205 3.195 3.207 . 0 0 "[ . 1 . 2]" 3
568 1 49 CYS HB3 1 51 GLN H . . 5.160 4.975 4.807 5.167 0.007 1 0 "[ . 1 . 2]" 3
569 1 16 PRO HB2 1 25 ILE H . . 4.780 4.222 4.156 4.325 . 0 0 "[ . 1 . 2]" 3
570 1 16 PRO HB2 1 25 ILE HG13 . . 4.260 3.822 3.671 3.908 . 0 0 "[ . 1 . 2]" 3
571 1 16 PRO HB2 1 38 VAL MG2 . . 3.860 3.153 2.663 3.294 . 0 0 "[ . 1 . 2]" 3
572 1 16 PRO HB2 1 25 ILE HG12 . . 5.280 5.275 5.177 5.321 0.041 6 0 "[ . 1 . 2]" 3
573 1 16 PRO HB2 1 25 ILE MD . . 4.060 3.699 3.566 3.849 . 0 0 "[ . 1 . 2]" 3
574 1 59 PHE QE 1 68 VAL HB . . 4.620 4.345 3.940 4.556 . 0 0 "[ . 1 . 2]" 3
575 1 41 LYS H 1 41 LYS HB3 . . 3.330 2.458 2.390 2.516 . 0 0 "[ . 1 . 2]" 3
576 1 41 LYS HB3 1 42 ASP H . . 3.480 3.048 2.937 3.125 . 0 0 "[ . 1 . 2]" 3
577 1 41 LYS HB3 1 41 LYS QE . . 4.160 4.085 3.802 4.164 0.004 9 0 "[ . 1 . 2]" 3
578 1 41 LYS HB3 1 55 THR MG . . 4.610 4.458 4.292 4.613 0.003 14 0 "[ . 1 . 2]" 3
579 1 32 VAL MG2 1 41 LYS HB3 . . 5.050 5.037 4.890 5.089 0.039 14 0 "[ . 1 . 2]" 3
580 1 41 LYS HB2 1 55 THR H . . 4.890 3.426 3.197 3.781 . 0 0 "[ . 1 . 2]" 3
581 1 41 LYS HB2 1 41 LYS QE . . 4.310 3.919 3.684 4.064 . 0 0 "[ . 1 . 2]" 3
582 1 41 LYS HB2 1 55 THR MG . . 4.580 3.057 2.882 3.212 . 0 0 "[ . 1 . 2]" 3
583 1 40 HIS H 1 43 CYS HB3 . . 3.810 3.332 3.189 3.519 . 0 0 "[ . 1 . 2]" 3
584 1 39 TRP HD1 1 43 CYS HB3 . . 3.800 3.030 2.820 3.263 . 0 0 "[ . 1 . 2]" 3
585 1 40 HIS H 1 43 CYS HB2 . . 3.490 2.137 1.994 2.293 . 0 0 "[ . 1 . 2]" 3
586 1 39 TRP HA 1 43 CYS HB2 . . 4.730 3.376 3.257 3.503 . 0 0 "[ . 1 . 2]" 3
587 1 67 CYS HA 1 68 VAL HB . . 4.990 4.795 4.713 4.949 . 0 0 "[ . 1 . 2]" 3
588 1 57 SER QB 1 58 PHE H . . 3.310 2.764 2.544 3.237 . 0 0 "[ . 1 . 2]" 3
589 1 57 SER QB 1 59 PHE HZ . . 5.070 4.896 4.510 5.096 0.026 5 0 "[ . 1 . 2]" 3
590 1 57 SER QB 1 59 PHE QE . . 4.190 3.675 3.314 4.058 . 0 0 "[ . 1 . 2]" 3
591 1 57 SER QB 1 58 PHE HA . . 4.850 3.993 3.893 4.087 . 0 0 "[ . 1 . 2]" 3
592 1 57 SER QB 1 68 VAL HB . . 4.290 4.100 3.897 4.302 0.012 5 0 "[ . 1 . 2]" 3
593 1 20 GLY H 1 43 CYS HB3 . . 4.520 3.636 3.539 3.729 . 0 0 "[ . 1 . 2]" 3
594 1 46 CYS HB3 1 49 CYS H . . 3.710 3.061 2.590 3.202 . 0 0 "[ . 1 . 2]" 3
595 1 46 CYS H 1 46 CYS HB3 . . 2.940 2.583 2.564 2.636 . 0 0 "[ . 1 . 2]" 3
596 1 45 THR HA 1 46 CYS HB3 . . 5.220 4.991 4.959 5.080 . 0 0 "[ . 1 . 2]" 3
597 1 45 THR HB 1 46 CYS HB3 . . 4.580 4.412 4.344 4.479 . 0 0 "[ . 1 . 2]" 3
598 1 46 CYS HB3 1 67 CYS HB3 . . 4.200 4.222 4.171 4.254 0.054 13 0 "[ . 1 . 2]" 3
599 1 46 CYS HB3 1 53 ILE MD . . 4.050 3.794 3.600 4.050 . 0 0 "[ . 1 . 2]" 3
600 1 46 CYS HB2 1 49 CYS H . . 4.490 4.241 3.881 4.359 . 0 0 "[ . 1 . 2]" 3
601 1 46 CYS HB2 1 67 CYS HB2 . . 4.380 4.226 4.188 4.254 . 0 0 "[ . 1 . 2]" 3
602 1 46 CYS HB2 1 53 ILE HG12 . . 4.160 3.304 3.135 3.446 . 0 0 "[ . 1 . 2]" 3
603 1 46 CYS HB2 1 47 SER H . . 4.440 3.835 3.825 3.849 . 0 0 "[ . 1 . 2]" 3
604 1 46 CYS H 1 46 CYS HB2 . . 3.110 2.573 2.504 2.620 . 0 0 "[ . 1 . 2]" 3
605 1 46 CYS HB2 1 53 ILE HG13 . . 3.900 2.977 2.825 3.101 . 0 0 "[ . 1 . 2]" 3
606 1 53 ILE HG13 1 67 CYS HB2 . . 4.350 4.238 4.138 4.352 0.002 14 0 "[ . 1 . 2]" 3
607 1 67 CYS H 1 67 CYS HB2 . . 3.780 3.603 3.581 3.668 . 0 0 "[ . 1 . 2]" 3
608 1 67 CYS HB2 1 68 VAL H . . 3.150 2.642 2.258 2.843 . 0 0 "[ . 1 . 2]" 3
609 1 67 CYS HB2 1 69 THR H . . 4.000 3.797 3.557 3.916 . 0 0 "[ . 1 . 2]" 3
610 1 67 CYS HB2 1 68 VAL MG2 . . 4.720 4.369 4.134 4.497 . 0 0 "[ . 1 . 2]" 3
611 1 53 ILE HG12 1 67 CYS HB2 . . 3.660 2.587 2.505 2.675 . 0 0 "[ . 1 . 2]" 3
612 1 53 ILE MD 1 67 CYS HB2 . . 3.850 2.931 2.748 3.175 . 0 0 "[ . 1 . 2]" 3
613 1 46 CYS H 1 67 CYS HB3 . . 4.820 4.787 4.718 4.828 0.008 5 0 "[ . 1 . 2]" 3
614 1 67 CYS HB3 1 69 THR H . . 5.460 5.281 5.047 5.404 . 0 0 "[ . 1 . 2]" 3
615 1 46 CYS HB2 1 67 CYS HB3 . . 3.330 2.581 2.535 2.622 . 0 0 "[ . 1 . 2]" 3
616 1 53 ILE HG12 1 67 CYS HB3 . . 3.560 2.091 2.002 2.269 . 0 0 "[ . 1 . 2]" 3
617 1 19 LYS H 1 19 LYS HB2 . . 3.880 2.825 2.366 3.152 . 0 0 "[ . 1 . 2]" 3
618 1 19 LYS H 1 19 LYS HB3 . . 3.880 2.702 2.391 3.527 . 0 0 "[ . 1 . 2]" 3
619 1 47 SER H 1 47 SER HB2 . . 3.750 2.953 2.300 3.698 . 0 0 "[ . 1 . 2]" 3
620 1 47 SER HB2 1 65 PHE H . . 4.200 2.799 1.922 3.816 . 0 0 "[ . 1 . 2]" 3
621 1 47 SER HB2 1 64 ASP HB2 . . 4.730 4.406 3.785 4.744 0.014 18 0 "[ . 1 . 2]" 3
622 1 47 SER HB2 1 64 ASP HB3 . . 4.730 2.820 2.208 3.312 . 0 0 "[ . 1 . 2]" 3
623 1 47 SER H 1 47 SER HB3 . . 3.750 3.050 2.386 3.612 . 0 0 "[ . 1 . 2]" 3
624 1 47 SER HB3 1 65 PHE H . . 4.200 2.914 1.981 3.990 . 0 0 "[ . 1 . 2]" 3
625 1 47 SER HB3 1 64 ASP HB2 . . 4.730 4.418 3.801 4.750 0.020 1 0 "[ . 1 . 2]" 3
626 1 18 CYS HB3 1 39 TRP HA . . 5.350 5.037 4.912 5.172 . 0 0 "[ . 1 . 2]" 3
627 1 18 CYS HB3 1 40 HIS H . . 4.910 4.865 4.806 4.920 0.010 2 0 "[ . 1 . 2]" 3
628 1 18 CYS HB3 1 20 GLY H . . 4.670 4.121 3.867 4.293 . 0 0 "[ . 1 . 2]" 3
629 1 18 CYS H 1 18 CYS HB3 . . 2.890 2.605 2.519 2.653 . 0 0 "[ . 1 . 2]" 3
630 1 18 CYS HB3 1 21 CYS H . . 3.700 3.280 3.089 3.470 . 0 0 "[ . 1 . 2]" 3
631 1 18 CYS HB3 1 25 ILE HG13 . . 4.430 4.052 3.898 4.182 . 0 0 "[ . 1 . 2]" 3
632 1 18 CYS H 1 18 CYS HB2 . . 2.970 2.543 2.450 2.656 . 0 0 "[ . 1 . 2]" 3
633 1 18 CYS HB2 1 22 PHE H . . 4.580 4.259 4.174 4.384 . 0 0 "[ . 1 . 2]" 3
634 1 18 CYS HB2 1 23 LYS H . . 3.710 3.251 3.130 3.407 . 0 0 "[ . 1 . 2]" 3
635 1 18 CYS HB2 1 21 CYS H . . 4.610 4.496 4.368 4.624 0.014 8 0 "[ . 1 . 2]" 3
636 1 18 CYS HB2 1 39 TRP HA . . 4.440 4.329 3.996 4.447 0.007 16 0 "[ . 1 . 2]" 3
637 1 18 CYS HB2 1 25 ILE HG12 . . 4.300 2.206 2.107 2.347 . 0 0 "[ . 1 . 2]" 3
638 1 15 SER HB3 1 24 ALA MB . . 3.790 3.249 2.642 3.832 0.042 17 0 "[ . 1 . 2]" 3
639 1 15 SER HB2 1 24 ALA MB . . 3.790 3.181 2.795 3.804 0.014 18 0 "[ . 1 . 2]" 3
640 1 16 PRO HA 1 17 LYS H . . 2.400 2.217 2.177 2.236 . 0 0 "[ . 1 . 2]" 3
641 1 16 PRO HA 1 17 LYS HB2 . . 4.440 4.348 4.326 4.359 . 0 0 "[ . 1 . 2]" 3
642 1 16 PRO HA 1 38 VAL MG2 . . 5.500 5.383 4.960 5.519 0.019 1 0 "[ . 1 . 2]" 3
643 1 16 PRO HA 1 38 VAL MG1 . . 4.490 3.285 2.974 3.483 . 0 0 "[ . 1 . 2]" 3
644 1 40 HIS HB2 1 41 LYS H . . 4.510 4.143 4.062 4.205 . 0 0 "[ . 1 . 2]" 3
645 1 40 HIS HB2 1 43 CYS HB3 . . 4.350 3.562 3.527 3.655 . 0 0 "[ . 1 . 2]" 3
646 1 40 HIS HB2 1 43 CYS HB2 . . 3.750 2.018 1.993 2.123 . 0 0 "[ . 1 . 2]" 3
647 1 40 HIS H 1 40 HIS HB3 . . 3.950 3.589 3.573 3.600 . 0 0 "[ . 1 . 2]" 3
648 1 40 HIS HB3 1 43 CYS HB2 . . 3.970 3.561 3.518 3.667 . 0 0 "[ . 1 . 2]" 3
649 1 35 LYS HB3 1 36 GLY H . . 4.500 4.399 4.335 4.477 . 0 0 "[ . 1 . 2]" 3
650 1 34 TYR QD 1 35 LYS HB2 . . 4.270 2.777 2.061 3.611 . 0 0 "[ . 1 . 2]" 3
651 1 34 TYR QE 1 35 LYS HB2 . . 4.630 3.308 2.763 3.666 . 0 0 "[ . 1 . 2]" 3
652 1 53 ILE HA 1 67 CYS HB3 . . 4.890 4.647 4.517 4.833 . 0 0 "[ . 1 . 2]" 3
653 1 53 ILE HA 1 53 ILE HG13 . . 3.360 2.941 2.878 2.998 . 0 0 "[ . 1 . 2]" 3
654 1 52 VAL MG1 1 53 ILE HA . . 4.080 3.883 3.817 3.942 . 0 0 "[ . 1 . 2]" 3
655 1 53 ILE HA 1 53 ILE MG . . 2.980 2.387 2.290 2.445 . 0 0 "[ . 1 . 2]" 3
656 1 53 ILE HA 1 53 ILE HG12 . . 3.170 2.626 2.536 2.709 . 0 0 "[ . 1 . 2]" 3
657 1 66 TYR HB3 1 71 HIS HB3 . . 4.450 4.203 3.952 4.453 0.003 6 0 "[ . 1 . 2]" 3
658 1 66 TYR HB2 1 71 HIS HB3 . . 4.810 4.552 4.108 4.821 0.011 6 0 "[ . 1 . 2]" 3
659 1 59 PHE HB2 1 71 HIS HB3 . . 4.420 3.233 2.641 3.555 . 0 0 "[ . 1 . 2]" 3
660 1 71 HIS HB2 1 72 GLU H . . 4.520 4.205 4.123 4.359 . 0 0 "[ . 1 . 2]" 3
661 1 71 HIS HB2 1 75 PHE QE . . 5.210 3.938 2.726 4.398 . 0 0 "[ . 1 . 2]" 3
662 1 68 VAL HA 1 71 HIS HB2 . . 4.710 4.345 4.166 4.504 . 0 0 "[ . 1 . 2]" 3
663 1 63 GLU H 1 63 GLU HB2 . . 4.160 3.040 2.536 3.282 . 0 0 "[ . 1 . 2]" 3
664 1 63 GLU H 1 63 GLU HB3 . . 4.160 3.182 2.495 4.094 . 0 0 "[ . 1 . 2]" 3
665 1 10 THR HA 1 10 THR MG . . 3.660 2.684 2.191 3.204 . 0 0 "[ . 1 . 2]" 3
666 1 55 THR HA 1 55 THR MG . . 2.720 2.183 2.125 2.314 . 0 0 "[ . 1 . 2]" 3
667 1 32 VAL MG1 1 55 THR HA . . 4.380 3.559 3.383 3.689 . 0 0 "[ . 1 . 2]" 3
668 1 32 VAL MG2 1 55 THR HA . . 3.650 2.587 2.327 2.830 . 0 0 "[ . 1 . 2]" 3
669 1 72 GLU H 1 72 GLU HB3 . . 3.590 3.575 3.557 3.590 . 0 0 "[ . 1 . 2]" 3
670 1 32 VAL HA 1 33 GLU H . . 2.570 2.191 2.164 2.222 . 0 0 "[ . 1 . 2]" 3
671 1 32 VAL HA 1 33 GLU HB3 . . 5.050 4.912 4.748 4.965 . 0 0 "[ . 1 . 2]" 3
672 1 32 VAL HA 1 33 GLU HB2 . . 4.580 4.512 4.460 4.610 0.030 6 0 "[ . 1 . 2]" 3
673 1 32 VAL HA 1 32 VAL MG2 . . 2.930 2.488 2.435 2.544 . 0 0 "[ . 1 . 2]" 3
674 1 32 VAL HA 1 32 VAL MG1 . . 2.940 2.254 2.106 2.344 . 0 0 "[ . 1 . 2]" 3
675 1 51 GLN H 1 51 GLN HB3 . . 3.800 3.399 2.571 3.744 . 0 0 "[ . 1 . 2]" 3
676 1 41 LYS HD2 1 55 THR H . . 5.040 2.972 2.542 3.291 . 0 0 "[ . 1 . 2]" 3
677 1 30 GLN QB 1 41 LYS HD2 . . 3.840 2.145 1.953 2.616 . 0 0 "[ . 1 . 2]" 3
678 1 41 LYS HD2 1 55 THR MG . . 3.900 2.087 1.980 2.338 . 0 0 "[ . 1 . 2]" 3
679 1 41 LYS HD3 1 55 THR MG . . 3.900 3.573 3.033 3.810 . 0 0 "[ . 1 . 2]" 3
680 1 30 GLN QB 1 41 LYS HD3 . . 3.840 2.310 1.953 2.754 . 0 0 "[ . 1 . 2]" 3
681 1 34 TYR QE 1 35 LYS QD . . 4.110 3.476 2.448 4.113 0.003 14 0 "[ . 1 . 2]" 3
682 1 41 LYS HA 1 55 THR H . . 4.420 3.213 3.021 3.589 . 0 0 "[ . 1 . 2]" 3
683 1 41 LYS HA 1 43 CYS H . . 4.850 4.552 4.472 4.639 . 0 0 "[ . 1 . 2]" 3
684 1 41 LYS HA 1 44 PHE H . . 4.230 4.166 4.128 4.204 . 0 0 "[ . 1 . 2]" 3
685 1 40 HIS HA 1 41 LYS HA . . 4.390 4.312 4.303 4.320 . 0 0 "[ . 1 . 2]" 3
686 1 41 LYS HA 1 54 GLY HA2 . . 3.780 2.142 1.998 2.246 . 0 0 "[ . 1 . 2]" 3
687 1 41 LYS HA 1 44 PHE HB3 . . 4.120 3.800 3.686 3.923 . 0 0 "[ . 1 . 2]" 3
688 1 41 LYS HA 1 41 LYS HB2 . . 3.020 2.366 2.346 2.396 . 0 0 "[ . 1 . 2]" 3
689 1 32 VAL MG2 1 41 LYS HA . . 2.910 2.694 2.626 2.766 . 0 0 "[ . 1 . 2]" 3
690 1 32 VAL MG1 1 41 LYS HA . . 5.360 5.328 5.220 5.373 0.013 16 0 "[ . 1 . 2]" 3
691 1 48 ASN HB3 1 70 CYS HB2 . . 4.260 4.091 3.977 4.155 . 0 0 "[ . 1 . 2]" 3
692 1 70 CYS H 1 70 CYS HB3 . . 3.710 3.567 3.534 3.584 . 0 0 "[ . 1 . 2]" 3
693 1 70 CYS HB3 1 71 HIS H . . 3.620 3.189 3.105 3.319 . 0 0 "[ . 1 . 2]" 3
694 1 48 ASN HB3 1 70 CYS HB3 . . 3.780 3.438 3.315 3.513 . 0 0 "[ . 1 . 2]" 3
695 1 41 LYS HA 1 44 PHE HB2 . . 4.180 4.159 4.106 4.193 0.013 8 0 "[ . 1 . 2]" 3
696 1 41 LYS HA 1 41 LYS QG . . 3.220 2.555 2.490 2.595 . 0 0 "[ . 1 . 2]" 3
697 1 66 TYR QD 1 70 CYS HB2 . . 4.190 3.681 3.383 3.853 . 0 0 "[ . 1 . 2]" 3
698 1 66 TYR HA 1 70 CYS HB2 . . 4.450 3.784 3.610 3.926 . 0 0 "[ . 1 . 2]" 3
699 1 67 CYS H 1 70 CYS HB3 . . 4.310 3.899 3.533 4.222 . 0 0 "[ . 1 . 2]" 3
700 1 66 TYR QD 1 70 CYS HB3 . . 3.880 2.352 2.111 2.577 . 0 0 "[ . 1 . 2]" 3
701 1 48 ASN HB2 1 70 CYS HB3 . . 4.120 4.106 3.939 4.139 0.019 6 0 "[ . 1 . 2]" 3
702 1 26 VAL HA 1 27 ALA MB . . 4.140 4.091 4.065 4.137 . 0 0 "[ . 1 . 2]" 3
703 1 23 LYS QD 1 24 ALA H . . 5.270 5.052 4.756 5.279 0.009 17 0 "[ . 1 . 2]" 3
704 1 23 LYS QD 1 23 LYS HG2 . . 2.710 2.401 2.153 2.481 . 0 0 "[ . 1 . 2]" 3
705 1 23 LYS H 1 23 LYS QD . . 4.380 4.333 4.059 4.511 0.131 5 0 "[ . 1 . 2]" 3
706 1 23 LYS QD 1 40 HIS HE1 . . 4.930 4.172 3.942 4.530 . 0 0 "[ . 1 . 2]" 3
707 1 23 LYS HA 1 23 LYS QD . . 4.280 4.003 3.871 4.139 . 0 0 "[ . 1 . 2]" 3
708 1 21 CYS HB2 1 23 LYS QD . . 4.730 3.105 2.383 3.618 . 0 0 "[ . 1 . 2]" 3
709 1 23 LYS HB3 1 23 LYS QD . . 3.480 2.361 2.169 2.500 . 0 0 "[ . 1 . 2]" 3
710 1 26 VAL HA 1 27 ALA H . . 2.840 2.577 2.543 2.615 . 0 0 "[ . 1 . 2]" 3
711 1 26 VAL HA 1 26 VAL MG1 . . 3.570 2.233 2.193 2.289 . 0 0 "[ . 1 . 2]" 3
712 1 25 ILE MG 1 26 VAL HA . . 4.210 3.907 3.777 4.049 . 0 0 "[ . 1 . 2]" 3
713 1 30 GLN QB 1 41 LYS HB3 . . 3.760 2.765 2.595 2.951 . 0 0 "[ . 1 . 2]" 3
714 1 53 ILE H 1 53 ILE HG13 . . 3.570 2.353 2.254 2.463 . 0 0 "[ . 1 . 2]" 3
715 1 53 ILE HG13 1 67 CYS HA . . 4.910 4.782 4.700 4.891 . 0 0 "[ . 1 . 2]" 3
716 1 46 CYS HB3 1 53 ILE HG13 . . 4.780 4.417 4.252 4.618 . 0 0 "[ . 1 . 2]" 3
717 1 53 ILE HG13 1 67 CYS HB3 . . 3.980 3.193 3.097 3.355 . 0 0 "[ . 1 . 2]" 3
718 1 53 ILE H 1 53 ILE HG12 . . 3.910 3.682 3.587 3.767 . 0 0 "[ . 1 . 2]" 3
719 1 46 CYS H 1 53 ILE HG12 . . 4.600 4.479 4.285 4.605 0.005 1 0 "[ . 1 . 2]" 3
720 1 53 ILE HG12 1 67 CYS HA . . 4.210 3.534 3.412 3.689 . 0 0 "[ . 1 . 2]" 3
721 1 45 THR HA 1 53 ILE HG12 . . 4.730 4.639 4.495 4.734 0.004 18 0 "[ . 1 . 2]" 3
722 1 30 GLN QB 1 41 LYS HB2 . . 3.640 2.098 1.969 2.346 . 0 0 "[ . 1 . 2]" 3
723 1 61 LYS HA 1 61 LYS HD2 . . 3.750 3.139 2.168 3.669 . 0 0 "[ . 1 . 2]" 3
724 1 74 LYS HD2 1 75 PHE QD . . 5.500 4.394 3.454 5.362 . 0 0 "[ . 1 . 2]" 3
725 1 66 TYR QE 1 74 LYS HD2 . . 4.450 2.779 2.238 3.684 . 0 0 "[ . 1 . 2]" 3
726 1 17 LYS HD3 1 24 ALA HA . . 4.750 2.191 2.064 2.273 . 0 0 "[ . 1 . 2]" 3
727 1 61 LYS HD3 1 75 PHE QE . . 5.290 4.134 2.240 5.091 . 0 0 "[ . 1 . 2]" 3
728 1 71 HIS HA 1 74 LYS HD2 . . 5.280 4.349 3.542 5.200 . 0 0 "[ . 1 . 2]" 3
729 1 71 HIS HA 1 74 LYS HD3 . . 5.280 3.862 3.326 5.228 . 0 0 "[ . 1 . 2]" 3
730 1 74 LYS HD3 1 75 PHE QD . . 5.500 3.269 2.318 4.559 . 0 0 "[ . 1 . 2]" 3
731 1 66 TYR QD 1 71 HIS HA . . 4.530 4.321 4.018 4.540 0.010 8 0 "[ . 1 . 2]" 3
732 1 71 HIS HA 1 75 PHE QD . . 3.160 2.240 1.985 3.161 0.001 2 0 "[ . 1 . 2]" 3
733 1 71 HIS HA 1 75 PHE QE . . 4.050 3.560 2.938 3.979 . 0 0 "[ . 1 . 2]" 3
734 1 61 LYS QZ 1 71 HIS HA . . 5.320 4.757 2.985 5.329 0.009 8 0 "[ . 1 . 2]" 3
735 1 66 TYR HB3 1 71 HIS HA . . 4.070 3.831 3.632 4.060 . 0 0 "[ . 1 . 2]" 3
736 1 59 PHE HB2 1 71 HIS HA . . 5.290 4.791 4.376 5.093 . 0 0 "[ . 1 . 2]" 3
737 1 61 LYS QE 1 71 HIS HA . . 5.500 4.624 3.611 5.514 0.014 19 0 "[ . 1 . 2]" 3
738 1 71 HIS HA 1 75 PHE HB2 . . 4.230 3.824 3.480 4.186 . 0 0 "[ . 1 . 2]" 3
739 1 17 LYS HA 1 17 LYS HD3 . . 4.220 2.561 2.397 2.651 . 0 0 "[ . 1 . 2]" 3
740 1 17 LYS HD3 1 24 ALA MB . . 3.580 2.732 2.594 2.904 . 0 0 "[ . 1 . 2]" 3
741 1 50 LYS HB3 1 50 LYS HD2 . . 4.100 2.837 2.177 4.212 0.112 3 0 "[ . 1 . 2]" 3
742 1 50 LYS HB3 1 50 LYS HD3 . . 4.100 3.426 3.219 3.637 . 0 0 "[ . 1 . 2]" 3
743 1 50 LYS HA 1 50 LYS HD3 . . 3.840 3.185 2.543 3.847 0.007 10 0 "[ . 1 . 2]" 3
744 1 50 LYS H 1 50 LYS HD3 . . 4.560 3.406 2.237 4.512 . 0 0 "[ . 1 . 2]" 3
745 1 40 HIS HB2 1 43 CYS HA . . 4.280 4.057 4.026 4.109 . 0 0 "[ . 1 . 2]" 3
746 1 43 CYS HA 1 43 CYS HB3 . . 2.950 2.615 2.599 2.652 . 0 0 "[ . 1 . 2]" 3
747 1 43 CYS HA 1 52 VAL MG2 . . 4.780 4.415 4.210 4.577 . 0 0 "[ . 1 . 2]" 3
748 1 43 CYS HA 1 45 THR MG . . 3.880 3.657 3.462 3.799 . 0 0 "[ . 1 . 2]" 3
749 1 25 ILE HA 1 26 VAL H . . 2.660 2.265 2.219 2.348 . 0 0 "[ . 1 . 2]" 3
750 1 25 ILE HA 1 40 HIS HD2 . . 4.200 4.169 4.011 4.224 0.024 12 0 "[ . 1 . 2]" 3
751 1 25 ILE HA 1 29 ASP HB2 . . 5.500 5.495 5.384 5.530 0.030 10 0 "[ . 1 . 2]" 3
752 1 25 ILE HA 1 25 ILE HG13 . . 3.780 3.474 3.399 3.531 . 0 0 "[ . 1 . 2]" 3
753 1 25 ILE HA 1 25 ILE HG12 . . 3.560 2.565 2.491 2.614 . 0 0 "[ . 1 . 2]" 3
754 1 17 LYS HD2 1 22 PHE HA . . 4.070 3.879 3.607 3.974 . 0 0 "[ . 1 . 2]" 3
755 1 24 ALA MB 1 25 ILE HA . . 4.640 4.220 4.169 4.277 . 0 0 "[ . 1 . 2]" 3
756 1 18 CYS HB2 1 22 PHE HA . . 5.130 4.816 4.658 4.990 . 0 0 "[ . 1 . 2]" 3
757 1 16 PRO QG 1 25 ILE HG13 . . 4.690 4.000 3.866 4.076 . 0 0 "[ . 1 . 2]" 3
758 1 16 PRO QG 1 38 VAL MG2 . . 4.020 3.695 3.400 3.930 . 0 0 "[ . 1 . 2]" 3
759 1 34 TYR QE 1 60 PRO HG2 . . 4.390 3.932 3.081 4.399 0.009 14 0 "[ . 1 . 2]" 3
760 1 60 PRO HG2 1 65 PHE QE . . 5.500 5.142 4.677 5.503 0.003 19 0 "[ . 1 . 2]" 3
761 1 34 TYR QE 1 60 PRO HG3 . . 4.390 2.880 2.050 4.017 . 0 0 "[ . 1 . 2]" 3
762 1 60 PRO HG3 1 65 PHE QE . . 5.500 4.143 3.701 4.586 . 0 0 "[ . 1 . 2]" 3
763 1 57 SER HA 1 58 PHE H . . 2.720 2.276 2.206 2.359 . 0 0 "[ . 1 . 2]" 3
764 1 57 SER HA 1 58 PHE QD . . 3.920 3.288 2.995 3.727 . 0 0 "[ . 1 . 2]" 3
765 1 57 SER HA 1 58 PHE HA . . 4.580 4.461 4.420 4.500 . 0 0 "[ . 1 . 2]" 3
766 1 57 SER HA 1 57 SER QB . . 2.780 2.392 2.171 2.490 . 0 0 "[ . 1 . 2]" 3
767 1 45 THR HA 1 53 ILE H . . 3.050 2.215 2.146 2.278 . 0 0 "[ . 1 . 2]" 3
768 1 45 THR HA 1 46 CYS H . . 2.710 2.460 2.414 2.513 . 0 0 "[ . 1 . 2]" 3
769 1 45 THR HA 1 54 GLY H . . 4.540 4.173 4.102 4.243 . 0 0 "[ . 1 . 2]" 3
770 1 45 THR HA 1 46 CYS HA . . 4.380 4.327 4.318 4.335 . 0 0 "[ . 1 . 2]" 3
771 1 44 PHE HA 1 45 THR HA . . 4.510 4.392 4.389 4.400 . 0 0 "[ . 1 . 2]" 3
772 1 45 THR HA 1 52 VAL HA . . 2.840 2.188 2.100 2.272 . 0 0 "[ . 1 . 2]" 3
773 1 45 THR HA 1 53 ILE HG13 . . 3.780 2.889 2.742 2.980 . 0 0 "[ . 1 . 2]" 3
774 1 45 THR HA 1 53 ILE HB . . 4.010 3.937 3.853 4.021 0.011 6 0 "[ . 1 . 2]" 3
775 1 72 GLU HA 1 76 ALA H . . 4.340 3.164 2.869 3.483 . 0 0 "[ . 1 . 2]" 3
776 1 71 HIS HB3 1 72 GLU HA . . 4.850 4.650 4.483 4.785 . 0 0 "[ . 1 . 2]" 3
777 1 72 GLU HA 1 72 GLU HG2 . . 3.740 2.623 2.326 2.846 . 0 0 "[ . 1 . 2]" 3
778 1 72 GLU HA 1 72 GLU HG3 . . 3.740 3.656 3.367 3.747 0.007 4 0 "[ . 1 . 2]" 3
779 1 18 CYS HA 1 25 ILE HG13 . . 4.640 3.124 2.924 3.343 . 0 0 "[ . 1 . 2]" 3
780 1 25 ILE HG13 1 38 VAL MG2 . . 3.930 3.793 3.691 3.955 0.025 15 0 "[ . 1 . 2]" 3
781 1 24 ALA HA 1 25 ILE HG13 . . 4.150 3.737 3.605 3.839 . 0 0 "[ . 1 . 2]" 3
782 1 18 CYS HB2 1 25 ILE HG13 . . 4.050 2.601 2.498 2.750 . 0 0 "[ . 1 . 2]" 3
783 1 25 ILE HG12 1 38 VAL MG2 . . 4.530 4.354 4.182 4.599 0.069 14 0 "[ . 1 . 2]" 3
784 1 45 THR HA 1 52 VAL MG1 . . 4.220 4.006 3.910 4.102 . 0 0 "[ . 1 . 2]" 3
785 1 46 CYS HA 1 47 SER H . . 2.680 2.427 2.416 2.444 . 0 0 "[ . 1 . 2]" 3
786 1 46 CYS HA 1 48 ASN H . . 4.270 4.108 4.045 4.140 . 0 0 "[ . 1 . 2]" 3
787 1 46 CYS HA 1 65 PHE HB2 . . 4.270 3.706 3.123 4.033 . 0 0 "[ . 1 . 2]" 3
788 1 46 CYS HA 1 53 ILE HG13 . . 4.490 3.749 3.529 4.072 . 0 0 "[ . 1 . 2]" 3
789 1 46 CYS HA 1 53 ILE MD . . 3.020 2.186 2.024 2.415 . 0 0 "[ . 1 . 2]" 3
790 1 76 ALA MB 1 77 SER HA . . 4.590 4.139 3.777 4.344 . 0 0 "[ . 1 . 2]" 3
791 1 18 CYS HA 1 20 GLY H . . 4.360 4.282 4.147 4.369 0.009 8 0 "[ . 1 . 2]" 3
792 1 18 CYS HA 1 19 LYS H . . 2.680 2.420 2.390 2.449 . 0 0 "[ . 1 . 2]" 3
793 1 16 PRO HB2 1 18 CYS HA . . 5.500 5.375 5.233 5.480 . 0 0 "[ . 1 . 2]" 3
794 1 18 CYS HA 1 38 VAL HB . . 5.500 5.388 5.158 5.510 0.010 10 0 "[ . 1 . 2]" 3
795 1 18 CYS HA 1 38 VAL MG2 . . 4.350 4.248 3.996 4.371 0.021 10 0 "[ . 1 . 2]" 3
796 1 18 CYS HA 1 25 ILE HG12 . . 4.710 3.982 3.830 4.246 . 0 0 "[ . 1 . 2]" 3
797 1 18 CYS HA 1 25 ILE MD . . 3.020 2.263 1.969 2.464 . 0 0 "[ . 1 . 2]" 3
798 1 23 LYS H 1 23 LYS HG2 . . 3.930 3.785 3.577 3.865 . 0 0 "[ . 1 . 2]" 3
799 1 21 CYS HB2 1 23 LYS HG2 . . 4.700 4.124 3.835 4.256 . 0 0 "[ . 1 . 2]" 3
800 1 46 CYS HB3 1 50 LYS HA . . 4.130 2.713 2.623 2.790 . 0 0 "[ . 1 . 2]" 3
801 1 50 LYS HA 1 50 LYS HG3 . . 4.100 3.392 2.237 4.227 0.127 16 0 "[ . 1 . 2]" 3
802 1 75 PHE HA 1 75 PHE QD . . 3.110 2.967 2.454 3.129 0.019 6 0 "[ . 1 . 2]" 3
803 1 75 PHE HA 1 75 PHE HB3 . . 3.010 2.486 2.306 2.575 . 0 0 "[ . 1 . 2]" 3
804 1 50 LYS HA 1 50 LYS HG2 . . 4.100 3.179 2.799 3.695 . 0 0 "[ . 1 . 2]" 3
805 1 50 LYS HA 1 50 LYS HD2 . . 3.840 2.932 2.238 3.724 . 0 0 "[ . 1 . 2]" 3
806 1 35 LYS HA 1 36 GLY H . . 3.280 2.781 2.624 2.893 . 0 0 "[ . 1 . 2]" 3
807 1 34 TYR HA 1 35 LYS HA . . 4.440 4.385 4.356 4.463 0.023 6 0 "[ . 1 . 2]" 3
808 1 35 LYS HA 1 35 LYS QD . . 3.730 3.543 1.987 3.739 0.009 13 0 "[ . 1 . 2]" 3
809 1 35 LYS HA 1 35 LYS HG2 . . 3.460 2.329 2.169 2.629 . 0 0 "[ . 1 . 2]" 3
810 1 35 LYS HA 1 35 LYS HG3 . . 3.460 3.333 3.114 3.637 0.177 14 0 "[ . 1 . 2]" 3
811 1 65 PHE HA 1 66 TYR H . . 2.760 2.163 2.139 2.220 . 0 0 "[ . 1 . 2]" 3
812 1 61 LYS H 1 65 PHE HA . . 3.860 2.797 2.361 3.372 . 0 0 "[ . 1 . 2]" 3
813 1 60 PRO HA 1 65 PHE HA . . 3.120 2.417 1.991 2.955 . 0 0 "[ . 1 . 2]" 3
814 1 65 PHE HA 1 66 TYR HB2 . . 4.760 4.532 4.414 4.619 . 0 0 "[ . 1 . 2]" 3
815 1 73 THR MG 1 74 LYS HA . . 4.060 3.306 3.147 3.611 . 0 0 "[ . 1 . 2]" 3
816 1 74 LYS HA 1 74 LYS HG3 . . 3.580 2.562 2.214 2.794 . 0 0 "[ . 1 . 2]" 3
817 1 35 LYS H 1 35 LYS HG2 . . 4.320 3.148 2.825 3.527 . 0 0 "[ . 1 . 2]" 3
818 1 35 LYS H 1 35 LYS HG3 . . 4.320 3.329 3.034 4.304 . 0 0 "[ . 1 . 2]" 3
819 1 65 PHE HA 1 65 PHE QD . . 3.930 2.587 2.160 3.032 . 0 0 "[ . 1 . 2]" 3
820 1 39 TRP HE1 1 44 PHE HA . . 5.500 5.484 5.401 5.515 0.015 8 0 "[ . 1 . 2]" 3
821 1 44 PHE HA 1 45 THR H . . 2.580 2.151 2.139 2.183 . 0 0 "[ . 1 . 2]" 3
822 1 39 TRP HD1 1 44 PHE HA . . 3.840 3.795 3.636 3.844 0.004 6 0 "[ . 1 . 2]" 3
823 1 39 TRP HB2 1 44 PHE HA . . 4.570 2.990 2.726 3.292 . 0 0 "[ . 1 . 2]" 3
824 1 44 PHE HA 1 44 PHE QD . . 3.180 2.201 2.028 2.328 . 0 0 "[ . 1 . 2]" 3
825 1 39 TRP HB3 1 44 PHE HA . . 4.100 2.501 2.350 2.720 . 0 0 "[ . 1 . 2]" 3
826 1 44 PHE HA 1 45 THR MG . . 4.190 4.013 3.810 4.102 . 0 0 "[ . 1 . 2]" 3
827 1 34 TYR QD 1 35 LYS HG3 . . 5.150 3.004 2.052 3.884 . 0 0 "[ . 1 . 2]" 3
828 1 17 LYS H 1 17 LYS HG3 . . 3.920 3.816 3.758 3.905 . 0 0 "[ . 1 . 2]" 3
829 1 17 LYS HA 1 17 LYS HG3 . . 3.810 3.616 3.608 3.629 . 0 0 "[ . 1 . 2]" 3
830 1 17 LYS HG3 1 24 ALA HA . . 4.470 4.352 4.231 4.445 . 0 0 "[ . 1 . 2]" 3
831 1 13 GLU HA 1 13 GLU QG . . 3.650 2.604 2.248 3.339 . 0 0 "[ . 1 . 2]" 3
832 1 19 LYS HA 1 19 LYS HD2 . . 3.670 2.761 2.053 3.702 0.032 12 0 "[ . 1 . 2]" 3
833 1 19 LYS HA 1 19 LYS HD3 . . 3.670 3.113 2.129 3.710 0.040 8 0 "[ . 1 . 2]" 3
834 1 19 LYS HA 1 19 LYS HG3 . . 3.890 3.110 2.601 3.618 . 0 0 "[ . 1 . 2]" 3
835 1 19 LYS HA 1 19 LYS HG2 . . 3.890 3.357 2.249 3.887 . 0 0 "[ . 1 . 2]" 3
836 1 19 LYS HG2 1 39 TRP HE1 . . 4.660 3.243 2.181 4.615 . 0 0 "[ . 1 . 2]" 3
837 1 74 LYS H 1 74 LYS HG2 . . 4.660 4.472 4.249 4.633 . 0 0 "[ . 1 . 2]" 3
838 1 74 LYS HG2 1 75 PHE QD . . 5.230 3.433 2.526 4.129 . 0 0 "[ . 1 . 2]" 3
839 1 74 LYS HA 1 74 LYS HG2 . . 3.580 3.048 2.579 3.505 . 0 0 "[ . 1 . 2]" 3
840 1 61 LYS HA 1 61 LYS HG3 . . 3.840 3.135 2.234 3.814 . 0 0 "[ . 1 . 2]" 3
841 1 63 GLU HA 1 64 ASP H . . 3.420 2.936 2.719 3.474 0.054 8 0 "[ . 1 . 2]" 3
842 1 63 GLU HA 1 63 GLU HG2 . . 3.610 3.278 2.179 3.630 0.020 2 0 "[ . 1 . 2]" 3
843 1 41 LYS QG 1 55 THR H . . 3.870 2.547 2.201 2.761 . 0 0 "[ . 1 . 2]" 3
844 1 41 LYS QG 1 42 ASP HA . . 4.440 3.639 3.593 3.763 . 0 0 "[ . 1 . 2]" 3
845 1 30 GLN QB 1 41 LYS QG . . 4.400 3.417 3.239 3.546 . 0 0 "[ . 1 . 2]" 3
846 1 32 VAL MG2 1 41 LYS QG . . 4.320 4.199 4.083 4.289 . 0 0 "[ . 1 . 2]" 3
847 1 30 GLN HA 1 31 ASN HD21 . . 4.790 4.319 4.005 4.507 . 0 0 "[ . 1 . 2]" 3
848 1 30 GLN HA 1 31 ASN H . . 2.900 2.145 2.139 2.166 . 0 0 "[ . 1 . 2]" 3
849 1 30 GLN HA 1 30 GLN HG2 . . 3.770 3.101 2.278 3.691 . 0 0 "[ . 1 . 2]" 3
850 1 30 GLN HA 1 30 GLN HG3 . . 3.770 2.803 2.236 3.637 . 0 0 "[ . 1 . 2]" 3
851 1 30 GLN HA 1 30 GLN QB . . 2.790 2.439 2.351 2.490 . 0 0 "[ . 1 . 2]" 3
852 1 30 GLN HA 1 41 LYS HB2 . . 5.000 4.100 3.904 4.239 . 0 0 "[ . 1 . 2]" 3
853 1 12 ARG HA 1 12 ARG QD . . 4.340 3.630 2.047 4.355 0.015 6 0 "[ . 1 . 2]" 3
854 1 61 LYS HA 1 61 LYS HD3 . . 3.750 2.659 1.980 3.751 0.001 19 0 "[ . 1 . 2]" 3
855 1 61 LYS HA 1 61 LYS HG2 . . 3.840 3.240 2.503 3.739 . 0 0 "[ . 1 . 2]" 3
856 1 51 GLN HA 1 52 VAL HB . . 4.710 4.642 4.590 4.715 0.005 18 0 "[ . 1 . 2]" 3
857 1 45 THR MG 1 51 GLN HA . . 4.420 3.816 3.642 4.037 . 0 0 "[ . 1 . 2]" 3
858 1 51 GLN HA 1 52 VAL H . . 2.630 2.148 2.139 2.199 . 0 0 "[ . 1 . 2]" 3
859 1 68 VAL H 1 68 VAL MG2 . . 2.900 2.277 2.098 2.427 . 0 0 "[ . 1 . 2]" 3
860 1 57 SER H 1 68 VAL MG2 . . 3.950 3.350 3.230 3.482 . 0 0 "[ . 1 . 2]" 3
861 1 68 VAL MG2 1 72 GLU H . . 5.500 5.535 5.492 5.582 0.082 8 0 "[ . 1 . 2]" 3
862 1 68 VAL MG2 1 69 THR H . . 4.080 3.750 3.713 3.840 . 0 0 "[ . 1 . 2]" 3
863 1 59 PHE HZ 1 68 VAL MG2 . . 4.150 3.907 3.679 4.140 . 0 0 "[ . 1 . 2]" 3
864 1 59 PHE QE 1 68 VAL MG2 . . 3.290 2.090 1.878 2.385 . 0 0 "[ . 1 . 2]" 3
865 1 59 PHE QD 1 68 VAL MG2 . . 4.030 3.005 2.400 3.370 . 0 0 "[ . 1 . 2]" 3
866 1 67 CYS HA 1 68 VAL MG2 . . 4.190 4.050 3.940 4.201 0.011 16 0 "[ . 1 . 2]" 3
867 1 57 SER HA 1 68 VAL MG2 . . 4.180 3.834 3.538 3.988 . 0 0 "[ . 1 . 2]" 3
868 1 68 VAL MG2 1 69 THR HA . . 5.400 5.301 5.285 5.319 . 0 0 "[ . 1 . 2]" 3
869 1 68 VAL HA 1 68 VAL MG2 . . 2.950 2.230 2.107 2.333 . 0 0 "[ . 1 . 2]" 3
870 1 57 SER QB 1 68 VAL MG2 . . 2.870 1.881 1.773 2.027 . 0 0 "[ . 1 . 2]" 3
871 1 68 VAL MG2 1 71 HIS HB3 . . 4.640 4.536 4.456 4.628 . 0 0 "[ . 1 . 2]" 3
872 1 69 THR MG 1 70 CYS H . . 3.820 2.869 2.747 3.050 . 0 0 "[ . 1 . 2]" 3
873 1 69 THR H 1 69 THR MG . . 3.780 3.780 3.774 3.787 0.007 10 0 "[ . 1 . 2]" 3
874 1 69 THR MG 1 73 THR H . . 4.660 3.756 3.603 4.020 . 0 0 "[ . 1 . 2]" 3
875 1 52 VAL MG2 1 53 ILE H . . 4.180 4.117 4.062 4.158 . 0 0 "[ . 1 . 2]" 3
876 1 52 VAL H 1 52 VAL MG2 . . 2.610 1.991 1.882 2.220 . 0 0 "[ . 1 . 2]" 3
877 1 52 VAL MG2 1 54 GLY H . . 5.180 5.037 4.924 5.138 . 0 0 "[ . 1 . 2]" 3
878 1 45 THR HA 1 52 VAL MG2 . . 3.970 3.883 3.771 3.968 . 0 0 "[ . 1 . 2]" 3
879 1 51 GLN HA 1 52 VAL MG2 . . 3.810 3.700 3.618 3.817 0.007 16 0 "[ . 1 . 2]" 3
880 1 52 VAL HA 1 52 VAL MG2 . . 2.860 2.371 2.276 2.429 . 0 0 "[ . 1 . 2]" 3
881 1 14 ASP HA 1 15 SER H . . 3.300 2.512 2.139 2.799 . 0 0 "[ . 1 . 2]" 3
882 1 17 LYS HA 1 24 ALA H . . 5.100 4.299 4.230 4.505 . 0 0 "[ . 1 . 2]" 3
883 1 17 LYS HA 1 18 CYS H . . 2.690 2.219 2.165 2.273 . 0 0 "[ . 1 . 2]" 3
884 1 17 LYS HA 1 25 ILE MG . . 5.500 5.483 5.369 5.541 0.041 17 0 "[ . 1 . 2]" 3
885 1 17 LYS HA 1 17 LYS HG2 . . 3.630 2.421 2.389 2.478 . 0 0 "[ . 1 . 2]" 3
886 1 17 LYS HA 1 25 ILE HG13 . . 4.300 3.068 2.928 3.181 . 0 0 "[ . 1 . 2]" 3
887 1 17 LYS HA 1 25 ILE HG12 . . 4.520 4.248 4.036 4.430 . 0 0 "[ . 1 . 2]" 3
888 1 17 LYS HA 1 25 ILE MD . . 4.630 4.451 4.306 4.593 . 0 0 "[ . 1 . 2]" 3
889 1 27 ALA HA 1 29 ASP H . . 4.180 4.104 3.994 4.181 0.001 10 0 "[ . 1 . 2]" 3
890 1 27 ALA HA 1 31 ASN HD21 . . 4.770 3.968 3.583 4.798 0.028 8 0 "[ . 1 . 2]" 3
891 1 27 ALA HA 1 31 ASN HD22 . . 4.570 3.655 3.084 3.950 . 0 0 "[ . 1 . 2]" 3
892 1 26 VAL MG1 1 27 ALA HA . . 5.500 5.526 5.506 5.541 0.041 20 0 "[ . 1 . 2]" 3
893 1 26 VAL MG2 1 27 ALA HA . . 5.500 4.207 4.097 4.381 . 0 0 "[ . 1 . 2]" 3
894 1 25 ILE MG 1 27 ALA HA . . 4.750 4.649 4.525 4.752 0.002 13 0 "[ . 1 . 2]" 3
895 1 41 LYS HA 1 55 THR MG . . 4.720 4.033 3.916 4.154 . 0 0 "[ . 1 . 2]" 3
896 1 38 VAL MG2 1 39 TRP H . . 3.370 2.274 1.897 2.639 . 0 0 "[ . 1 . 2]" 3
897 1 38 VAL H 1 38 VAL MG2 . . 4.120 3.947 3.872 4.037 . 0 0 "[ . 1 . 2]" 3
898 1 33 GLU HA 1 38 VAL MG2 . . 3.480 2.856 2.578 3.076 . 0 0 "[ . 1 . 2]" 3
899 1 38 VAL HA 1 38 VAL MG2 . . 3.090 2.392 2.225 2.474 . 0 0 "[ . 1 . 2]" 3
900 1 17 LYS HA 1 18 CYS HB3 . . 4.860 4.806 4.708 4.865 0.005 1 0 "[ . 1 . 2]" 3
901 1 17 LYS HA 1 18 CYS HB2 . . 4.770 4.381 4.327 4.452 . 0 0 "[ . 1 . 2]" 3
902 1 17 LYS HA 1 17 LYS HD2 . . 3.780 3.265 3.186 3.434 . 0 0 "[ . 1 . 2]" 3
903 1 55 THR MG 1 56 GLY H . . 4.440 3.993 3.934 4.052 . 0 0 "[ . 1 . 2]" 3
904 1 54 GLY HA3 1 55 THR MG . . 4.330 4.199 4.015 4.326 . 0 0 "[ . 1 . 2]" 3
905 1 32 VAL MG2 1 55 THR MG . . 3.510 3.226 3.051 3.361 . 0 0 "[ . 1 . 2]" 3
906 1 38 VAL MG2 1 39 TRP HE3 . . 4.530 4.196 3.991 4.337 . 0 0 "[ . 1 . 2]" 3
907 1 31 ASN HD22 1 38 VAL MG2 . . 4.760 4.387 4.216 4.588 . 0 0 "[ . 1 . 2]" 3
908 1 31 ASN HB2 1 38 VAL MG2 . . 3.660 2.208 1.885 2.409 . 0 0 "[ . 1 . 2]" 3
909 1 31 ASN HB3 1 38 VAL MG2 . . 3.660 2.394 2.165 2.894 . 0 0 "[ . 1 . 2]" 3
910 1 33 GLU HB2 1 38 VAL MG2 . . 3.490 2.635 2.385 2.953 . 0 0 "[ . 1 . 2]" 3
911 1 52 VAL MG1 1 53 ILE H . . 3.340 2.903 2.654 3.125 . 0 0 "[ . 1 . 2]" 3
912 1 42 ASP H 1 52 VAL MG1 . . 4.290 4.125 4.047 4.291 0.001 15 0 "[ . 1 . 2]" 3
913 1 52 VAL MG1 1 54 GLY H . . 3.280 2.874 2.751 3.072 . 0 0 "[ . 1 . 2]" 3
914 1 43 CYS H 1 52 VAL MG1 . . 4.610 4.232 4.111 4.443 . 0 0 "[ . 1 . 2]" 3
915 1 42 ASP HA 1 52 VAL MG1 . . 2.730 1.921 1.848 2.021 . 0 0 "[ . 1 . 2]" 3
916 1 43 CYS HA 1 52 VAL MG1 . . 5.090 4.707 4.519 4.912 . 0 0 "[ . 1 . 2]" 3
917 1 52 VAL MG1 1 54 GLY HA2 . . 3.790 3.740 3.658 3.795 0.005 1 0 "[ . 1 . 2]" 3
918 1 52 VAL HA 1 52 VAL MG1 . . 3.030 2.462 2.426 2.483 . 0 0 "[ . 1 . 2]" 3
919 1 42 ASP HB2 1 52 VAL MG1 . . 4.710 3.910 3.447 4.485 . 0 0 "[ . 1 . 2]" 3
920 1 41 LYS QG 1 52 VAL MG1 . . 4.090 3.466 3.269 3.611 . 0 0 "[ . 1 . 2]" 3
921 1 45 THR MG 1 53 ILE H . . 3.910 3.489 3.358 3.610 . 0 0 "[ . 1 . 2]" 3
922 1 45 THR MG 1 52 VAL H . . 3.930 2.777 2.608 3.000 . 0 0 "[ . 1 . 2]" 3
923 1 45 THR MG 1 46 CYS H . . 3.560 3.485 3.393 3.578 0.018 20 0 "[ . 1 . 2]" 3
924 1 45 THR HA 1 45 THR MG . . 2.950 2.326 2.241 2.363 . 0 0 "[ . 1 . 2]" 3
925 1 45 THR MG 1 50 LYS HA . . 4.500 4.406 4.164 4.483 . 0 0 "[ . 1 . 2]" 3
926 1 44 PHE H 1 45 THR MG . . 4.460 4.329 4.212 4.434 . 0 0 "[ . 1 . 2]" 3
927 1 26 VAL H 1 26 VAL MG2 . . 3.410 2.079 1.875 2.218 . 0 0 "[ . 1 . 2]" 3
928 1 26 VAL MG2 1 27 ALA H . . 4.230 3.167 3.070 3.317 . 0 0 "[ . 1 . 2]" 3
929 1 26 VAL HA 1 26 VAL MG2 . . 3.570 3.195 3.183 3.201 . 0 0 "[ . 1 . 2]" 3
930 1 18 CYS H 1 24 ALA HA . . 3.590 3.211 3.074 3.435 . 0 0 "[ . 1 . 2]" 3
931 1 24 ALA HA 1 25 ILE H . . 2.540 2.157 2.148 2.167 . 0 0 "[ . 1 . 2]" 3
932 1 24 ALA HA 1 25 ILE HB . . 5.050 4.827 4.761 4.862 . 0 0 "[ . 1 . 2]" 3
933 1 17 LYS HD2 1 24 ALA HA . . 3.830 3.762 3.650 3.840 0.010 13 0 "[ . 1 . 2]" 3
934 1 17 LYS HG2 1 24 ALA HA . . 3.750 2.832 2.682 2.906 . 0 0 "[ . 1 . 2]" 3
935 1 24 ALA HA 1 25 ILE MG . . 5.500 5.418 5.400 5.445 . 0 0 "[ . 1 . 2]" 3
936 1 24 ALA HA 1 25 ILE MD . . 5.310 5.101 5.015 5.200 . 0 0 "[ . 1 . 2]" 3
937 1 24 ALA HA 1 25 ILE HG12 . . 4.570 4.206 4.076 4.348 . 0 0 "[ . 1 . 2]" 3
938 1 68 VAL H 1 68 VAL MG1 . . 3.820 3.781 3.752 3.797 . 0 0 "[ . 1 . 2]" 3
939 1 68 VAL MG1 1 72 GLU H . . 4.420 3.857 3.739 3.972 . 0 0 "[ . 1 . 2]" 3
940 1 68 VAL MG1 1 69 THR H . . 3.340 2.445 2.297 2.601 . 0 0 "[ . 1 . 2]" 3
941 1 59 PHE HZ 1 68 VAL MG1 . . 4.540 4.192 3.657 4.553 0.013 18 0 "[ . 1 . 2]" 3
942 1 59 PHE QE 1 68 VAL MG1 . . 3.700 2.868 2.412 3.250 . 0 0 "[ . 1 . 2]" 3
943 1 59 PHE QD 1 68 VAL MG1 . . 4.630 4.300 3.926 4.514 . 0 0 "[ . 1 . 2]" 3
944 1 68 VAL MG1 1 69 THR HB . . 4.620 4.498 4.404 4.595 . 0 0 "[ . 1 . 2]" 3
945 1 68 VAL MG1 1 69 THR HA . . 3.720 2.809 2.751 2.893 . 0 0 "[ . 1 . 2]" 3
946 1 57 SER QB 1 68 VAL MG1 . . 4.110 3.821 3.728 3.959 . 0 0 "[ . 1 . 2]" 3
947 1 68 VAL MG1 1 72 GLU HG2 . . 3.780 2.437 2.141 2.760 . 0 0 "[ . 1 . 2]" 3
948 1 68 VAL MG1 1 72 GLU HG3 . . 3.780 2.123 1.959 2.330 . 0 0 "[ . 1 . 2]" 3
949 1 72 GLU HA 1 76 ALA HA . . 4.910 4.629 4.330 4.913 0.003 8 0 "[ . 1 . 2]" 3
950 1 38 VAL H 1 38 VAL MG1 . . 3.250 2.378 2.177 2.587 . 0 0 "[ . 1 . 2]" 3
951 1 33 GLU HA 1 38 VAL MG1 . . 4.290 4.121 3.998 4.261 . 0 0 "[ . 1 . 2]" 3
952 1 38 VAL HA 1 38 VAL MG1 . . 3.230 3.189 3.185 3.195 . 0 0 "[ . 1 . 2]" 3
953 1 18 CYS HA 1 38 VAL MG1 . . 3.790 2.490 2.209 2.622 . 0 0 "[ . 1 . 2]" 3
954 1 31 ASN HB2 1 38 VAL MG1 . . 4.530 4.313 3.926 4.536 0.006 19 0 "[ . 1 . 2]" 3
955 1 31 ASN HB3 1 38 VAL MG1 . . 4.530 4.260 4.025 4.551 0.021 17 0 "[ . 1 . 2]" 3
956 1 16 PRO HB3 1 38 VAL MG1 . . 3.430 2.981 2.842 3.255 . 0 0 "[ . 1 . 2]" 3
957 1 33 GLU HG3 1 38 VAL MG1 . . 3.950 3.419 3.250 3.978 0.028 6 0 "[ . 1 . 2]" 3
958 1 33 GLU HG2 1 38 VAL MG1 . . 4.550 4.482 4.008 4.563 0.013 5 0 "[ . 1 . 2]" 3
959 1 16 PRO QG 1 38 VAL MG1 . . 3.590 3.226 3.052 3.412 . 0 0 "[ . 1 . 2]" 3
960 1 33 GLU HB2 1 38 VAL MG1 . . 4.740 4.410 4.053 4.648 . 0 0 "[ . 1 . 2]" 3
961 1 16 PRO HB2 1 38 VAL MG1 . . 2.930 1.862 1.764 2.035 . 0 0 "[ . 1 . 2]" 3
962 1 32 VAL MG2 1 39 TRP HE3 . . 4.920 4.629 4.435 4.796 . 0 0 "[ . 1 . 2]" 3
963 1 32 VAL MG2 1 41 LYS HB2 . . 4.180 3.987 3.815 4.082 . 0 0 "[ . 1 . 2]" 3
964 1 32 VAL H 1 32 VAL MG2 . . 3.120 2.607 2.455 2.774 . 0 0 "[ . 1 . 2]" 3
965 1 32 VAL MG2 1 41 LYS H . . 4.210 4.060 3.939 4.134 . 0 0 "[ . 1 . 2]" 3
966 1 32 VAL MG2 1 33 GLU H . . 4.400 4.324 4.298 4.355 . 0 0 "[ . 1 . 2]" 3
967 1 32 VAL MG2 1 44 PHE H . . 4.520 4.023 3.885 4.130 . 0 0 "[ . 1 . 2]" 3
968 1 32 VAL MG2 1 44 PHE QD . . 3.590 2.545 1.994 3.118 . 0 0 "[ . 1 . 2]" 3
969 1 32 VAL MG2 1 44 PHE HB3 . . 3.650 2.729 2.445 3.020 . 0 0 "[ . 1 . 2]" 3
970 1 32 VAL MG2 1 39 TRP HB2 . . 3.670 3.652 3.496 3.680 0.010 8 0 "[ . 1 . 2]" 3
971 1 32 VAL MG2 1 44 PHE HB2 . . 3.630 2.584 2.281 2.733 . 0 0 "[ . 1 . 2]" 3
972 1 26 VAL H 1 26 VAL MG1 . . 3.410 2.834 2.694 2.965 . 0 0 "[ . 1 . 2]" 3
973 1 26 VAL MG1 1 27 ALA H . . 4.230 3.515 3.467 3.548 . 0 0 "[ . 1 . 2]" 3
974 1 26 VAL MG1 1 29 ASP H . . 4.880 4.593 4.512 4.697 . 0 0 "[ . 1 . 2]" 3
975 1 26 VAL MG1 1 29 ASP HB2 . . 4.470 4.239 4.148 4.346 . 0 0 "[ . 1 . 2]" 3
976 1 26 VAL MG1 1 29 ASP HB3 . . 5.380 4.867 4.775 4.965 . 0 0 "[ . 1 . 2]" 3
977 1 32 VAL H 1 32 VAL MG1 . . 4.180 3.935 3.917 3.955 . 0 0 "[ . 1 . 2]" 3
978 1 32 VAL MG1 1 33 GLU H . . 3.260 3.204 3.039 3.285 0.025 5 0 "[ . 1 . 2]" 3
979 1 32 VAL MG1 1 39 TRP HE3 . . 4.110 3.733 3.504 3.978 . 0 0 "[ . 1 . 2]" 3
980 1 32 VAL MG1 1 58 PHE QD . . 4.390 3.053 2.673 3.404 . 0 0 "[ . 1 . 2]" 3
981 1 32 VAL MG1 1 58 PHE QE . . 4.050 2.126 1.884 2.495 . 0 0 "[ . 1 . 2]" 3
982 1 32 VAL MG1 1 44 PHE QD . . 4.030 3.264 2.890 3.643 . 0 0 "[ . 1 . 2]" 3
983 1 32 VAL MG1 1 44 PHE QE . . 4.060 3.069 2.558 3.549 . 0 0 "[ . 1 . 2]" 3
984 1 32 VAL MG1 1 44 PHE HZ . . 4.460 3.638 3.310 4.036 . 0 0 "[ . 1 . 2]" 3
985 1 32 VAL MG1 1 39 TRP HB2 . . 4.450 4.289 4.164 4.447 . 0 0 "[ . 1 . 2]" 3
986 1 32 VAL MG1 1 44 PHE HB2 . . 4.380 4.110 3.909 4.346 . 0 0 "[ . 1 . 2]" 3
987 1 32 VAL MG1 1 55 THR MG . . 4.720 4.598 4.419 4.721 0.001 2 0 "[ . 1 . 2]" 3
988 1 76 ALA H 1 76 ALA MB . . 3.270 2.110 2.026 2.260 . 0 0 "[ . 1 . 2]" 3
989 1 75 PHE HA 1 76 ALA MB . . 5.290 5.026 5.002 5.038 . 0 0 "[ . 1 . 2]" 3
990 1 73 THR HA 1 76 ALA MB . . 4.510 4.452 4.357 4.506 . 0 0 "[ . 1 . 2]" 3
991 1 72 GLU HA 1 76 ALA MB . . 3.430 1.937 1.769 2.055 . 0 0 "[ . 1 . 2]" 3
992 1 72 GLU HG2 1 76 ALA MB . . 4.830 3.837 3.253 4.279 . 0 0 "[ . 1 . 2]" 3
993 1 58 PHE QE 1 60 PRO HD2 . . 4.320 4.127 3.864 4.323 0.003 17 0 "[ . 1 . 2]" 3
994 1 59 PHE QD 1 60 PRO HD2 . . 4.330 4.010 3.622 4.294 . 0 0 "[ . 1 . 2]" 3
995 1 59 PHE HA 1 60 PRO HD2 . . 2.890 1.920 1.912 1.954 . 0 0 "[ . 1 . 2]" 3
996 1 59 PHE HB3 1 60 PRO HD2 . . 4.170 3.708 3.358 3.917 . 0 0 "[ . 1 . 2]" 3
997 1 58 PHE QE 1 60 PRO HD3 . . 3.930 2.504 2.247 2.705 . 0 0 "[ . 1 . 2]" 3
998 1 59 PHE QD 1 60 PRO HD3 . . 5.490 5.018 4.848 5.098 . 0 0 "[ . 1 . 2]" 3
999 1 60 PRO HD3 1 65 PHE QD . . 5.500 3.967 3.517 4.240 . 0 0 "[ . 1 . 2]" 3
1000 1 59 PHE HA 1 60 PRO HD3 . . 2.830 2.495 2.351 2.592 . 0 0 "[ . 1 . 2]" 3
1001 1 59 PHE HB3 1 60 PRO HD3 . . 4.820 4.726 4.503 4.843 0.023 12 0 "[ . 1 . 2]" 3
1002 1 24 ALA MB 1 25 ILE H . . 3.090 3.071 3.023 3.132 0.042 20 0 "[ . 1 . 2]" 3
1003 1 23 LYS HA 1 24 ALA MB . . 4.110 4.039 4.004 4.058 . 0 0 "[ . 1 . 2]" 3
1004 1 58 PHE QD 1 60 PRO HD2 . . 3.980 3.779 3.593 3.960 . 0 0 "[ . 1 . 2]" 3
1005 1 58 PHE QD 1 60 PRO HD3 . . 3.590 2.244 1.994 2.650 . 0 0 "[ . 1 . 2]" 3
1006 1 15 SER HA 1 16 PRO HD2 . . 2.750 2.297 2.132 2.520 . 0 0 "[ . 1 . 2]" 3
1007 1 15 SER H 1 16 PRO HD3 . . 5.290 4.743 4.475 5.032 . 0 0 "[ . 1 . 2]" 3
1008 1 15 SER HA 1 16 PRO HD3 . . 2.750 2.275 2.250 2.351 . 0 0 "[ . 1 . 2]" 3
1009 1 27 ALA MB 1 28 GLY H . . 3.840 2.175 1.944 2.464 . 0 0 "[ . 1 . 2]" 3
1010 1 27 ALA H 1 27 ALA MB . . 2.820 2.183 2.082 2.286 . 0 0 "[ . 1 . 2]" 3
1011 1 27 ALA MB 1 29 ASP H . . 4.420 4.244 4.135 4.329 . 0 0 "[ . 1 . 2]" 3
1012 1 27 ALA MB 1 28 GLY HA3 . . 4.670 4.025 3.939 4.140 . 0 0 "[ . 1 . 2]" 3
1013 1 26 VAL HB 1 27 ALA MB . . 4.380 3.824 3.744 3.892 . 0 0 "[ . 1 . 2]" 3
1014 1 53 ILE MG 1 68 VAL H . . 3.650 3.553 3.411 3.630 . 0 0 "[ . 1 . 2]" 3
1015 1 53 ILE MG 1 55 THR H . . 5.210 5.115 4.983 5.198 . 0 0 "[ . 1 . 2]" 3
1016 1 53 ILE MG 1 58 PHE QD . . 3.430 3.014 2.522 3.399 . 0 0 "[ . 1 . 2]" 3
1017 1 44 PHE QD 1 53 ILE MG . . 3.400 2.836 2.625 3.031 . 0 0 "[ . 1 . 2]" 3
1018 1 44 PHE QE 1 53 ILE MG . . 3.250 2.237 1.980 2.733 . 0 0 "[ . 1 . 2]" 3
1019 1 53 ILE MG 1 67 CYS HA . . 3.730 3.094 2.993 3.248 . 0 0 "[ . 1 . 2]" 3
1020 1 53 ILE MG 1 57 SER HA . . 4.290 4.266 4.139 4.309 0.019 7 0 "[ . 1 . 2]" 3
1021 1 53 ILE MG 1 56 GLY HA3 . . 3.500 2.813 2.724 2.879 . 0 0 "[ . 1 . 2]" 3
1022 1 53 ILE MG 1 67 CYS HB2 . . 4.130 3.007 2.856 3.311 . 0 0 "[ . 1 . 2]" 3
1023 1 53 ILE MG 1 58 PHE HB3 . . 3.080 2.024 1.810 2.227 . 0 0 "[ . 1 . 2]" 3
1024 1 53 ILE MG 1 67 CYS HB3 . . 4.000 3.367 3.224 3.540 . 0 0 "[ . 1 . 2]" 3
1025 1 53 ILE MG 1 58 PHE HB2 . . 3.530 3.352 3.089 3.512 . 0 0 "[ . 1 . 2]" 3
1026 1 53 ILE MD 1 53 ILE MG . . 2.750 2.207 2.074 2.322 . 0 0 "[ . 1 . 2]" 3
1027 1 53 ILE MG 1 54 GLY H . . 3.900 3.482 3.345 3.576 . 0 0 "[ . 1 . 2]" 3
1028 1 25 ILE MG 1 26 VAL H . . 3.350 1.917 1.856 2.085 . 0 0 "[ . 1 . 2]" 3
1029 1 25 ILE MG 1 40 HIS HD2 . . 3.940 2.259 2.070 2.400 . 0 0 "[ . 1 . 2]" 3
1030 1 25 ILE MG 1 31 ASN HD21 . . 3.800 2.569 2.039 2.824 . 0 0 "[ . 1 . 2]" 3
1031 1 25 ILE MG 1 31 ASN HD22 . . 3.710 2.378 2.138 2.723 . 0 0 "[ . 1 . 2]" 3
1032 1 25 ILE MG 1 40 HIS HA . . 4.220 3.286 3.182 3.414 . 0 0 "[ . 1 . 2]" 3
1033 1 25 ILE HA 1 25 ILE MG . . 2.970 2.287 2.195 2.363 . 0 0 "[ . 1 . 2]" 3
1034 1 25 ILE MG 1 29 ASP HB2 . . 4.300 4.166 4.042 4.299 . 0 0 "[ . 1 . 2]" 3
1035 1 25 ILE MG 1 31 ASN HB3 . . 3.680 2.467 1.931 2.803 . 0 0 "[ . 1 . 2]" 3
1036 1 25 ILE H 1 25 ILE MG . . 3.980 3.850 3.826 3.867 . 0 0 "[ . 1 . 2]" 3
1037 1 25 ILE MG 1 31 ASN HA . . 4.310 4.153 3.864 4.279 . 0 0 "[ . 1 . 2]" 3
1038 1 18 CYS HB2 1 25 ILE MG . . 4.320 4.070 4.003 4.127 . 0 0 "[ . 1 . 2]" 3
1039 1 16 PRO QG 1 25 ILE MG . . 4.250 3.208 3.052 3.331 . 0 0 "[ . 1 . 2]" 3
1040 1 34 TYR H 1 38 VAL HA . . 4.270 3.316 3.182 3.497 . 0 0 "[ . 1 . 2]" 3
1041 1 38 VAL HA 1 39 TRP H . . 2.840 2.173 2.150 2.225 . 0 0 "[ . 1 . 2]" 3
1042 1 38 VAL HA 1 39 TRP HE3 . . 3.450 2.914 2.630 3.156 . 0 0 "[ . 1 . 2]" 3
1043 1 33 GLU HA 1 38 VAL HA . . 3.100 2.004 1.959 2.046 . 0 0 "[ . 1 . 2]" 3
1044 1 33 GLU HG2 1 38 VAL HA . . 4.620 3.989 3.437 4.137 . 0 0 "[ . 1 . 2]" 3
1045 1 33 GLU HB2 1 38 VAL HA . . 4.610 4.038 3.597 4.230 . 0 0 "[ . 1 . 2]" 3
1046 1 25 ILE MD 1 38 VAL HA . . 4.700 4.174 3.990 4.386 . 0 0 "[ . 1 . 2]" 3
1047 1 38 VAL HA 1 39 TRP HB2 . . 4.630 4.503 4.372 4.579 . 0 0 "[ . 1 . 2]" 3
1048 1 19 LYS H 1 39 TRP HA . . 4.060 3.348 3.177 3.459 . 0 0 "[ . 1 . 2]" 3
1049 1 18 CYS HA 1 39 TRP HA . . 3.850 3.679 3.518 3.748 . 0 0 "[ . 1 . 2]" 3
1050 1 39 TRP HA 1 44 PHE HB2 . . 5.170 4.431 4.326 4.582 . 0 0 "[ . 1 . 2]" 3
1051 1 48 ASN HA 1 48 ASN HD21 . . 4.330 3.891 3.750 3.965 . 0 0 "[ . 1 . 2]" 3
1052 1 48 ASN HA 1 48 ASN HB2 . . 2.940 2.397 2.376 2.440 . 0 0 "[ . 1 . 2]" 3
1053 1 66 TYR HA 1 67 CYS H . . 2.750 2.163 2.138 2.291 . 0 0 "[ . 1 . 2]" 3
1054 1 48 ASN H 1 66 TYR HA . . 4.480 3.785 3.636 3.926 . 0 0 "[ . 1 . 2]" 3
1055 1 66 TYR HA 1 66 TYR QD . . 3.550 3.119 2.995 3.160 . 0 0 "[ . 1 . 2]" 3
1056 1 46 CYS HA 1 66 TYR HA . . 3.970 3.852 3.571 3.980 0.010 5 0 "[ . 1 . 2]" 3
1057 1 53 ILE MD 1 66 TYR HA . . 4.090 3.841 3.678 3.986 . 0 0 "[ . 1 . 2]" 3
1058 1 66 TYR HA 1 70 CYS HB3 . . 4.260 4.060 3.864 4.258 . 0 0 "[ . 1 . 2]" 3
1059 1 46 CYS HB2 1 66 TYR HA . . 4.560 4.569 4.518 4.589 0.029 10 0 "[ . 1 . 2]" 3
1060 1 58 PHE HA 1 59 PHE H . . 2.890 2.534 2.439 2.652 . 0 0 "[ . 1 . 2]" 3
1061 1 58 PHE HA 1 68 VAL H . . 4.490 2.610 1.934 3.173 . 0 0 "[ . 1 . 2]" 3
1062 1 58 PHE HA 1 58 PHE QD . . 3.850 3.723 3.715 3.729 . 0 0 "[ . 1 . 2]" 3
1063 1 58 PHE HA 1 59 PHE QD . . 3.550 2.925 2.695 3.178 . 0 0 "[ . 1 . 2]" 3
1064 1 58 PHE HA 1 58 PHE HB3 . . 2.930 2.453 2.426 2.508 . 0 0 "[ . 1 . 2]" 3
1065 1 58 PHE HA 1 58 PHE HB2 . . 2.960 2.456 2.404 2.483 . 0 0 "[ . 1 . 2]" 3
1066 1 58 PHE HA 1 68 VAL MG2 . . 4.420 2.944 2.450 3.226 . 0 0 "[ . 1 . 2]" 3
1067 1 53 ILE MG 1 58 PHE HA . . 4.010 3.341 3.132 3.495 . 0 0 "[ . 1 . 2]" 3
1068 1 53 ILE MD 1 58 PHE HA . . 4.010 3.538 3.295 3.783 . 0 0 "[ . 1 . 2]" 3
1069 1 33 GLU HA 1 34 TYR H . . 2.940 2.202 2.139 2.303 . 0 0 "[ . 1 . 2]" 3
1070 1 33 GLU HA 1 39 TRP H . . 4.070 3.634 3.553 3.683 . 0 0 "[ . 1 . 2]" 3
1071 1 33 GLU HA 1 39 TRP HE3 . . 4.190 3.981 3.783 4.237 0.047 14 0 "[ . 1 . 2]" 3
1072 1 33 GLU HA 1 33 GLU HG2 . . 3.420 2.526 2.341 2.602 . 0 0 "[ . 1 . 2]" 3
1073 1 33 GLU HA 1 38 VAL HB . . 4.540 2.621 2.441 2.845 . 0 0 "[ . 1 . 2]" 3
1074 1 31 ASN HA 1 32 VAL H . . 2.760 2.550 2.495 2.596 . 0 0 "[ . 1 . 2]" 3
1075 1 31 ASN HA 1 41 LYS H . . 3.100 2.137 2.014 2.305 . 0 0 "[ . 1 . 2]" 3
1076 1 31 ASN HA 1 31 ASN HD21 . . 4.650 4.164 3.647 4.351 . 0 0 "[ . 1 . 2]" 3
1077 1 31 ASN HA 1 40 HIS HA . . 3.240 2.598 2.358 2.837 . 0 0 "[ . 1 . 2]" 3
1078 1 31 ASN HA 1 41 LYS HA . . 3.930 3.264 3.057 3.622 . 0 0 "[ . 1 . 2]" 3
1079 1 31 ASN HA 1 31 ASN HB2 . . 3.000 2.915 2.673 3.000 0.000 19 0 "[ . 1 . 2]" 3
1080 1 31 ASN HA 1 31 ASN HB3 . . 3.000 2.313 2.283 2.332 . 0 0 "[ . 1 . 2]" 3
1081 1 30 GLN QB 1 31 ASN HA . . 4.810 4.106 4.024 4.209 . 0 0 "[ . 1 . 2]" 3
1082 1 31 ASN HA 1 41 LYS HB3 . . 4.360 4.104 3.948 4.339 . 0 0 "[ . 1 . 2]" 3
1083 1 31 ASN HA 1 41 LYS HB2 . . 4.060 3.309 3.127 3.586 . 0 0 "[ . 1 . 2]" 3
1084 1 31 ASN HA 1 32 VAL HB . . 5.020 4.886 4.831 4.973 . 0 0 "[ . 1 . 2]" 3
1085 1 31 ASN HA 1 32 VAL MG2 . . 3.720 3.147 3.031 3.226 . 0 0 "[ . 1 . 2]" 3
1086 1 25 ILE MD 1 31 ASN HA . . 4.510 4.384 3.985 4.542 0.032 9 0 "[ . 1 . 2]" 3
1087 1 25 ILE HB 1 40 HIS HE1 . . 5.500 5.456 5.383 5.508 0.008 16 0 "[ . 1 . 2]" 3
1088 1 23 LYS HG3 1 40 HIS HE1 . . 4.630 4.594 4.427 4.640 0.010 3 0 "[ . 1 . 2]" 3
1089 1 18 CYS HB2 1 40 HIS HE1 . . 3.150 2.689 2.584 2.769 . 0 0 "[ . 1 . 2]" 3
1090 1 23 LYS HB2 1 40 HIS HE1 . . 3.270 2.397 2.295 2.476 . 0 0 "[ . 1 . 2]" 3
1091 1 18 CYS HB3 1 40 HIS HE1 . . 3.520 3.378 3.068 3.502 . 0 0 "[ . 1 . 2]" 3
1092 1 25 ILE HA 1 40 HIS HE1 . . 4.550 3.869 3.748 4.038 . 0 0 "[ . 1 . 2]" 3
1093 1 18 CYS H 1 40 HIS HE1 . . 4.410 4.313 4.116 4.410 . 0 0 "[ . 1 . 2]" 3
1094 1 23 LYS H 1 40 HIS HE1 . . 3.760 3.564 3.429 3.702 . 0 0 "[ . 1 . 2]" 3
1095 1 25 ILE MD 1 40 HIS HE1 . . 4.230 3.351 3.094 3.520 . 0 0 "[ . 1 . 2]" 3
1096 1 58 PHE QD 1 60 PRO QB . . 4.010 3.493 3.216 3.992 . 0 0 "[ . 1 . 2]" 3
1097 1 61 LYS QZ 1 75 PHE QD . . 4.320 3.358 2.463 4.244 . 0 0 "[ . 1 . 2]" 3
1098 1 61 LYS QE 1 75 PHE QD . . 4.370 3.530 3.034 4.097 . 0 0 "[ . 1 . 2]" 3
1099 1 59 PHE QD 1 71 HIS HB2 . . 4.060 3.466 3.017 3.811 . 0 0 "[ . 1 . 2]" 3
1100 1 22 PHE HA 1 22 PHE QD . . 3.660 2.756 2.287 2.862 . 0 0 "[ . 1 . 2]" 3
1101 1 22 PHE HA 1 22 PHE QE . . 4.670 4.668 4.359 4.717 0.047 14 0 "[ . 1 . 2]" 3
1102 1 19 LYS HA 1 22 PHE QE . . 4.790 3.609 2.836 3.837 . 0 0 "[ . 1 . 2]" 3
1103 1 19 LYS HA 1 22 PHE QD . . 4.490 3.171 2.863 3.429 . 0 0 "[ . 1 . 2]" 3
1104 1 60 PRO QB 1 65 PHE QE . . 4.010 2.305 1.973 2.770 . 0 0 "[ . 1 . 2]" 3
1105 1 44 PHE QD 1 53 ILE HB . . 3.590 2.102 1.997 2.295 . 0 0 "[ . 1 . 2]" 3
1106 1 39 TRP HB2 1 44 PHE QD . . 4.570 2.214 2.042 2.408 . 0 0 "[ . 1 . 2]" 3
1107 1 44 PHE QD 1 58 PHE QD . . 4.410 4.175 3.913 4.389 . 0 0 "[ . 1 . 2]" 3
1108 1 44 PHE HA 1 44 PHE QE . . 4.540 4.305 4.259 4.359 . 0 0 "[ . 1 . 2]" 3
1109 1 44 PHE QE 1 65 PHE HB3 . . 4.200 3.466 3.128 3.733 . 0 0 "[ . 1 . 2]" 3
1110 1 44 PHE QE 1 53 ILE HB . . 3.980 2.848 2.617 3.189 . 0 0 "[ . 1 . 2]" 3
1111 1 32 VAL MG2 1 44 PHE QE . . 4.250 3.762 3.392 4.236 . 0 0 "[ . 1 . 2]" 3
1112 1 39 TRP HD1 1 44 PHE QD . . 4.750 4.121 3.836 4.286 . 0 0 "[ . 1 . 2]" 3
1113 1 20 GLY H 1 39 TRP HD1 . . 3.990 2.571 2.463 2.771 . 0 0 "[ . 1 . 2]" 3
1114 1 40 HIS HB3 1 40 HIS HD2 . . 3.930 3.006 2.957 3.083 . 0 0 "[ . 1 . 2]" 3
1115 1 40 HIS HA 1 40 HIS HD2 . . 3.840 2.794 2.642 2.895 . 0 0 "[ . 1 . 2]" 3
1116 1 26 VAL H 1 40 HIS HD2 . . 4.910 4.409 4.225 4.592 . 0 0 "[ . 1 . 2]" 3
1117 1 66 TYR QE 1 74 LYS HD3 . . 4.450 3.660 2.568 4.453 0.003 11 0 "[ . 1 . 2]" 3
1118 1 61 LYS HB3 1 66 TYR QE . . 3.670 3.345 2.290 3.680 0.010 14 0 "[ . 1 . 2]" 3
1119 1 61 LYS HB2 1 66 TYR QE . . 3.670 2.755 2.292 3.393 . 0 0 "[ . 1 . 2]" 3
1120 1 66 TYR QE 1 74 LYS HE2 . . 4.300 3.491 2.681 4.316 0.016 7 0 "[ . 1 . 2]" 3
1121 1 48 ASN H 1 66 TYR QE . . 4.890 4.798 4.461 4.920 0.030 20 0 "[ . 1 . 2]" 3
1122 1 34 TYR QE 1 35 LYS HG3 . . 4.780 2.588 2.035 3.232 . 0 0 "[ . 1 . 2]" 3
1123 1 53 ILE MD 1 67 CYS HA . . 3.260 2.117 1.973 2.471 . 0 0 "[ . 1 . 2]" 3
1124 1 58 PHE HB2 1 67 CYS HA . . 4.170 3.173 2.526 3.439 . 0 0 "[ . 1 . 2]" 3
1125 1 67 CYS HA 1 67 CYS HB2 . . 2.870 2.420 2.392 2.435 . 0 0 "[ . 1 . 2]" 3
1126 1 67 CYS HA 1 68 VAL H . . 2.830 2.331 2.256 2.503 . 0 0 "[ . 1 . 2]" 3
1127 1 25 ILE MD 1 25 ILE MG . . 2.720 1.839 1.812 1.882 . 0 0 "[ . 1 . 2]" 3
1128 1 25 ILE MD 1 38 VAL MG1 . . 3.100 1.876 1.757 2.118 . 0 0 "[ . 1 . 2]" 3
1129 1 71 HIS HE1 1 76 ALA MB . . 4.980 4.605 3.903 4.986 0.006 8 0 "[ . 1 . 2]" 3
1130 1 59 PHE QD 1 71 HIS HE1 . . 4.310 3.683 2.504 4.196 . 0 0 "[ . 1 . 2]" 3
1131 1 74 LYS HE3 1 75 PHE HZ . . 5.500 4.378 3.605 5.489 . 0 0 "[ . 1 . 2]" 3
1132 1 74 LYS HD3 1 75 PHE HZ . . 5.500 3.650 3.012 4.146 . 0 0 "[ . 1 . 2]" 3
1133 1 59 PHE HB3 1 66 TYR HB2 . . 4.000 3.774 3.455 3.939 . 0 0 "[ . 1 . 2]" 3
1134 1 16 PRO HB3 1 25 ILE MD . . 5.390 5.198 5.082 5.343 . 0 0 "[ . 1 . 2]" 3
1135 1 16 PRO HD2 1 17 LYS H . . 5.500 5.313 5.266 5.422 . 0 0 "[ . 1 . 2]" 3
1136 1 16 PRO HD3 1 17 LYS H . . 5.500 5.392 5.362 5.460 . 0 0 "[ . 1 . 2]" 3
1137 1 16 PRO HD2 1 25 ILE H . . 5.500 4.154 4.048 4.210 . 0 0 "[ . 1 . 2]" 3
1138 1 16 PRO HD3 1 25 ILE H . . 5.500 5.479 5.384 5.519 0.019 10 0 "[ . 1 . 2]" 3
1139 1 15 SER H 1 16 PRO HD2 . . 5.290 4.787 4.724 4.831 . 0 0 "[ . 1 . 2]" 3
1140 1 17 LYS HB3 1 18 CYS HA . . 4.770 4.656 4.563 4.800 0.030 16 0 "[ . 1 . 2]" 3
1141 1 18 CYS HB2 1 20 GLY H . . 5.140 4.901 4.680 5.053 . 0 0 "[ . 1 . 2]" 3
1142 1 18 CYS HB3 1 25 ILE HG12 . . 4.910 3.791 3.691 3.888 . 0 0 "[ . 1 . 2]" 3
1143 1 18 CYS HB3 1 25 ILE MG . . 5.500 5.539 5.495 5.585 0.085 8 0 "[ . 1 . 2]" 3
1144 1 19 LYS HB3 1 20 GLY H . . 5.320 2.772 2.602 3.331 . 0 0 "[ . 1 . 2]" 3
1145 1 19 LYS HB2 1 20 GLY H . . 5.320 3.807 2.922 4.179 . 0 0 "[ . 1 . 2]" 3
1146 1 19 LYS QE 1 39 TRP HE1 . . 5.150 4.438 1.886 5.141 . 0 0 "[ . 1 . 2]" 3
1147 1 20 GLY HA3 1 39 TRP HE1 . . 4.960 4.653 4.284 4.929 . 0 0 "[ . 1 . 2]" 3
1148 1 21 CYS HB2 1 22 PHE H . . 4.840 4.122 4.094 4.196 . 0 0 "[ . 1 . 2]" 3
1149 1 21 CYS HB3 1 23 LYS HG3 . . 4.690 3.980 3.733 4.096 . 0 0 "[ . 1 . 2]" 3
1150 1 23 LYS HG2 1 40 HIS HE1 . . 5.460 5.388 5.282 5.466 0.006 12 0 "[ . 1 . 2]" 3
1151 1 23 LYS HG3 1 24 ALA H . . 5.340 5.150 5.006 5.183 . 0 0 "[ . 1 . 2]" 3
1152 1 25 ILE HG12 1 40 HIS HD2 . . 5.210 4.116 3.868 4.323 . 0 0 "[ . 1 . 2]" 3
1153 1 25 ILE HG12 1 26 VAL H . . 5.410 4.506 4.428 4.561 . 0 0 "[ . 1 . 2]" 3
1154 1 25 ILE HG12 1 40 HIS H . . 5.500 4.674 4.500 4.883 . 0 0 "[ . 1 . 2]" 3
1155 1 25 ILE HG13 1 26 VAL H . . 5.230 5.182 5.094 5.236 0.006 20 0 "[ . 1 . 2]" 3
1156 1 25 ILE HG12 1 25 ILE MG . . 3.300 2.551 2.456 2.656 . 0 0 "[ . 1 . 2]" 3
1157 1 25 ILE HG13 1 25 ILE MG . . 3.300 3.163 3.141 3.185 . 0 0 "[ . 1 . 2]" 3
1158 1 30 GLN HG2 1 31 ASN H . . 5.500 4.932 4.166 5.473 . 0 0 "[ . 1 . 2]" 3
1159 1 30 GLN HG3 1 31 ASN H . . 5.500 4.683 3.882 5.505 0.005 8 0 "[ . 1 . 2]" 3
1160 1 31 ASN HA 1 32 VAL MG1 . . 5.390 5.376 5.332 5.397 0.007 7 0 "[ . 1 . 2]" 3
1161 1 31 ASN HA 1 40 HIS HB3 . . 5.070 4.673 4.426 4.905 . 0 0 "[ . 1 . 2]" 3
1162 1 32 VAL HB 1 41 LYS HA . . 5.380 5.127 4.999 5.243 . 0 0 "[ . 1 . 2]" 3
1163 1 32 VAL HB 1 44 PHE HB3 . . 5.140 4.014 3.833 4.299 . 0 0 "[ . 1 . 2]" 3
1164 1 32 VAL MG1 1 34 TYR H . . 5.300 4.860 4.316 5.269 . 0 0 "[ . 1 . 2]" 3
1165 1 33 GLU HB3 1 38 VAL HA . . 5.020 4.914 4.735 4.974 . 0 0 "[ . 1 . 2]" 3
1166 1 33 GLU H 1 33 GLU HG3 . . 4.940 4.491 4.395 4.772 . 0 0 "[ . 1 . 2]" 3
1167 1 33 GLU HG3 1 37 THR H . . 5.500 5.497 5.416 5.546 0.046 6 0 "[ . 1 . 2]" 3
1168 1 33 GLU HG2 1 37 THR H . . 5.020 4.536 4.208 4.783 . 0 0 "[ . 1 . 2]" 3
1169 1 35 LYS HA 1 37 THR H . . 5.220 5.172 4.926 5.238 0.018 13 0 "[ . 1 . 2]" 3
1170 1 34 TYR QD 1 35 LYS HA . . 5.010 4.609 3.907 5.007 . 0 0 "[ . 1 . 2]" 3
1171 1 35 LYS HB2 1 37 THR H . . 5.010 4.503 4.249 4.722 . 0 0 "[ . 1 . 2]" 3
1172 1 34 TYR QE 1 35 LYS HB3 . . 5.170 4.495 3.993 4.933 . 0 0 "[ . 1 . 2]" 3
1173 1 34 TYR QD 1 35 LYS HB3 . . 4.830 4.334 3.778 4.837 0.007 13 0 "[ . 1 . 2]" 3
1174 1 35 LYS HB3 1 37 THR H . . 5.490 4.907 4.311 5.279 . 0 0 "[ . 1 . 2]" 3
1175 1 34 TYR QE 1 35 LYS HG2 . . 4.780 4.052 2.302 4.748 . 0 0 "[ . 1 . 2]" 3
1176 1 35 LYS H 1 35 LYS QD . . 5.280 4.675 3.868 4.954 . 0 0 "[ . 1 . 2]" 3
1177 1 34 TYR QD 1 35 LYS HE2 . . 5.500 4.675 3.648 5.540 0.040 4 0 "[ . 1 . 2]" 3
1178 1 34 TYR QD 1 35 LYS HE3 . . 5.500 4.237 3.283 5.509 0.009 14 0 "[ . 1 . 2]" 3
1179 1 35 LYS HA 1 35 LYS HE3 . . 5.410 5.054 4.464 5.417 0.007 7 0 "[ . 1 . 2]" 3
1180 1 33 GLU HG2 1 36 GLY HA3 . . 5.120 4.782 4.633 4.897 . 0 0 "[ . 1 . 2]" 3
1181 1 33 GLU HG2 1 36 GLY HA2 . . 5.120 3.824 3.621 4.011 . 0 0 "[ . 1 . 2]" 3
1182 1 37 THR HB 1 39 TRP HE1 . . 5.500 5.225 4.752 5.533 0.033 12 0 "[ . 1 . 2]" 3
1183 1 32 VAL MG2 1 38 VAL HA . . 5.500 5.436 5.383 5.505 0.005 12 0 "[ . 1 . 2]" 3
1184 1 33 GLU HG3 1 38 VAL HB . . 4.940 2.112 1.995 2.865 . 0 0 "[ . 1 . 2]" 3
1185 1 38 VAL MG2 1 39 TRP HA . . 4.950 3.602 3.421 3.825 . 0 0 "[ . 1 . 2]" 3
1186 1 25 ILE MD 1 38 VAL MG2 . . 3.000 1.884 1.817 1.961 . 0 0 "[ . 1 . 2]" 3
1187 1 38 VAL MG1 1 39 TRP HE3 . . 5.500 5.222 4.963 5.423 . 0 0 "[ . 1 . 2]" 3
1188 1 40 HIS H 1 40 HIS HE1 . . 5.280 4.835 4.693 4.961 . 0 0 "[ . 1 . 2]" 3
1189 1 25 ILE HG12 1 40 HIS HE1 . . 5.030 2.518 2.418 2.620 . 0 0 "[ . 1 . 2]" 3
1190 1 24 ALA MB 1 40 HIS HE1 . . 5.500 5.461 5.366 5.532 0.032 17 0 "[ . 1 . 2]" 3
1191 1 41 LYS HB3 1 43 CYS H . . 5.230 5.097 5.045 5.137 . 0 0 "[ . 1 . 2]" 3
1192 1 41 LYS HB3 1 54 GLY HA2 . . 5.200 4.943 4.780 5.098 . 0 0 "[ . 1 . 2]" 3
1193 1 41 LYS QG 1 54 GLY H . . 4.850 4.571 4.417 4.683 . 0 0 "[ . 1 . 2]" 3
1194 1 31 ASN HA 1 41 LYS QG . . 5.330 4.994 4.804 5.276 . 0 0 "[ . 1 . 2]" 3
1195 1 41 LYS HD3 1 55 THR H . . 5.040 4.482 4.023 4.720 . 0 0 "[ . 1 . 2]" 3
1196 1 41 LYS QE 1 54 GLY HA3 . . 4.700 3.696 3.083 4.232 . 0 0 "[ . 1 . 2]" 3
1197 1 39 TRP HD1 1 43 CYS HA . . 5.500 5.303 5.121 5.489 . 0 0 "[ . 1 . 2]" 3
1198 1 20 GLY H 1 43 CYS HB2 . . 5.190 4.795 4.696 4.904 . 0 0 "[ . 1 . 2]" 3
1199 1 21 CYS H 1 43 CYS HB3 . . 4.550 3.967 3.785 4.136 . 0 0 "[ . 1 . 2]" 3
1200 1 21 CYS H 1 43 CYS HB2 . . 4.970 4.846 4.710 4.977 0.007 16 0 "[ . 1 . 2]" 3
1201 1 39 TRP HA 1 43 CYS HB3 . . 5.180 3.686 3.513 3.845 . 0 0 "[ . 1 . 2]" 3
1202 1 43 CYS HB3 1 44 PHE HB2 . . 5.170 4.919 4.790 5.002 . 0 0 "[ . 1 . 2]" 3
1203 1 18 CYS HB2 1 43 CYS HB2 . . 5.500 5.442 5.319 5.513 0.013 18 0 "[ . 1 . 2]" 3
1204 1 43 CYS HB2 1 44 PHE HB2 . . 5.500 4.405 4.378 4.449 . 0 0 "[ . 1 . 2]" 3
1205 1 39 TRP HE1 1 44 PHE QD . . 5.330 4.977 4.730 5.118 . 0 0 "[ . 1 . 2]" 3
1206 1 44 PHE QD 1 53 ILE H . . 4.890 3.700 3.509 3.900 . 0 0 "[ . 1 . 2]" 3
1207 1 45 THR HA 1 46 CYS HB2 . . 4.570 4.444 4.419 4.464 . 0 0 "[ . 1 . 2]" 3
1208 1 50 LYS HB2 1 51 GLN H . . 5.000 4.323 4.249 4.395 . 0 0 "[ . 1 . 2]" 3
1209 1 50 LYS HB3 1 51 GLN H . . 5.090 4.431 4.352 4.658 . 0 0 "[ . 1 . 2]" 3
1210 1 44 PHE HB3 1 53 ILE HB . . 4.860 3.613 3.443 3.816 . 0 0 "[ . 1 . 2]" 3
1211 1 53 ILE HG12 1 67 CYS H . . 5.060 4.488 4.250 4.792 . 0 0 "[ . 1 . 2]" 3
1212 1 46 CYS HA 1 53 ILE HG12 . . 5.100 4.554 4.416 4.823 . 0 0 "[ . 1 . 2]" 3
1213 1 53 ILE MD 1 66 TYR H . . 4.820 4.679 4.431 4.827 0.007 18 0 "[ . 1 . 2]" 3
1214 1 53 ILE H 1 54 GLY HA2 . . 4.790 4.615 4.539 4.699 . 0 0 "[ . 1 . 2]" 3
1215 1 53 ILE H 1 54 GLY HA3 . . 4.920 4.753 4.677 4.823 . 0 0 "[ . 1 . 2]" 3
1216 1 54 GLY HA2 1 56 GLY H . . 4.860 4.595 4.397 4.835 . 0 0 "[ . 1 . 2]" 3
1217 1 44 PHE H 1 54 GLY HA3 . . 5.500 5.509 5.502 5.524 0.024 18 0 "[ . 1 . 2]" 3
1218 1 44 PHE HB3 1 54 GLY HA3 . . 4.680 3.908 3.792 4.047 . 0 0 "[ . 1 . 2]" 3
1219 1 53 ILE MG 1 54 GLY HA3 . . 5.020 4.431 4.295 4.508 . 0 0 "[ . 1 . 2]" 3
1220 1 53 ILE MG 1 54 GLY HA2 . . 5.180 4.506 4.409 4.598 . 0 0 "[ . 1 . 2]" 3
1221 1 59 PHE H 1 60 PRO HD2 . . 5.130 4.467 4.352 4.619 . 0 0 "[ . 1 . 2]" 3
1222 1 61 LYS HG3 1 66 TYR QD . . 4.940 3.894 2.365 4.959 0.019 18 0 "[ . 1 . 2]" 3
1223 1 61 LYS HG3 1 75 PHE HZ . . 5.080 3.420 1.997 4.964 . 0 0 "[ . 1 . 2]" 3
1224 1 61 LYS HG2 1 75 PHE HZ . . 5.080 3.711 2.002 5.082 0.002 5 0 "[ . 1 . 2]" 3
1225 1 61 LYS HG2 1 66 TYR QD . . 4.940 3.467 2.535 4.322 . 0 0 "[ . 1 . 2]" 3
1226 1 61 LYS HD2 1 75 PHE HZ . . 5.500 3.360 1.999 5.393 . 0 0 "[ . 1 . 2]" 3
1227 1 62 GLY HA2 1 63 GLU HB3 . . 5.500 5.463 4.880 5.568 0.068 3 0 "[ . 1 . 2]" 3
1228 1 61 LYS H 1 64 ASP HB3 . . 5.070 4.603 3.993 5.068 . 0 0 "[ . 1 . 2]" 3
1229 1 64 ASP HB3 1 66 TYR QD . . 5.080 3.423 3.036 3.918 . 0 0 "[ . 1 . 2]" 3
1230 1 64 ASP HB2 1 66 TYR QD . . 5.080 3.674 3.054 4.049 . 0 0 "[ . 1 . 2]" 3
1231 1 47 SER H 1 65 PHE HB3 . . 5.370 5.022 4.712 5.379 0.009 12 0 "[ . 1 . 2]" 3
1232 1 66 TYR HB3 1 70 CYS H . . 5.200 5.148 4.971 5.219 0.019 8 0 "[ . 1 . 2]" 3
1233 1 59 PHE H 1 66 TYR HB3 . . 5.080 4.864 4.726 5.061 . 0 0 "[ . 1 . 2]" 3
1234 1 59 PHE HB2 1 66 TYR HB3 . . 4.100 3.821 3.621 3.963 . 0 0 "[ . 1 . 2]" 3
1235 1 59 PHE HB2 1 66 TYR HB2 . . 3.790 2.888 2.693 3.162 . 0 0 "[ . 1 . 2]" 3
1236 1 48 ASN H 1 66 TYR QD . . 4.630 4.501 4.068 4.646 0.016 19 0 "[ . 1 . 2]" 3
1237 1 48 ASN HA 1 66 TYR QE . . 4.740 4.630 4.354 4.746 0.006 17 0 "[ . 1 . 2]" 3
1238 1 48 ASN HB3 1 66 TYR QE . . 4.370 4.098 3.915 4.312 . 0 0 "[ . 1 . 2]" 3
1239 1 48 ASN HB2 1 66 TYR QE . . 3.490 2.731 2.599 2.901 . 0 0 "[ . 1 . 2]" 3
1240 1 58 PHE HA 1 68 VAL HA . . 4.780 3.899 3.475 4.155 . 0 0 "[ . 1 . 2]" 3
1241 1 58 PHE HA 1 68 VAL MG1 . . 5.500 5.296 4.815 5.511 0.011 14 0 "[ . 1 . 2]" 3
1242 1 49 CYS H 1 70 CYS HB2 . . 5.200 4.950 4.799 5.037 . 0 0 "[ . 1 . 2]" 3
1243 1 49 CYS H 1 70 CYS HB3 . . 5.130 4.979 4.816 5.116 . 0 0 "[ . 1 . 2]" 3
1244 1 70 CYS HB3 1 74 LYS H . . 5.230 4.887 4.748 5.152 . 0 0 "[ . 1 . 2]" 3
1245 1 69 THR H 1 70 CYS HB2 . . 5.070 4.977 4.916 5.079 0.009 12 0 "[ . 1 . 2]" 3
1246 1 71 HIS H 1 71 HIS HB2 . . 3.690 2.899 2.793 3.004 . 0 0 "[ . 1 . 2]" 3
1247 1 61 LYS QZ 1 71 HIS HB2 . . 5.080 3.890 1.974 4.948 . 0 0 "[ . 1 . 2]" 3
1248 1 66 TYR HB3 1 71 HIS HB2 . . 4.680 3.242 2.965 3.455 . 0 0 "[ . 1 . 2]" 3
1249 1 71 HIS HA 1 71 HIS HD2 . . 5.270 4.583 4.122 4.771 . 0 0 "[ . 1 . 2]" 3
1250 1 71 HIS HD2 1 75 PHE QD . . 5.400 5.230 4.493 5.406 0.006 13 0 "[ . 1 . 2]" 3
1251 1 72 GLU HA 1 73 THR MG . . 5.280 5.022 4.976 5.083 . 0 0 "[ . 1 . 2]" 3
1252 1 71 HIS H 1 72 GLU HA . . 5.210 5.143 5.068 5.221 0.011 20 0 "[ . 1 . 2]" 3
1253 1 72 GLU HG2 1 73 THR H . . 5.120 4.577 4.440 4.836 . 0 0 "[ . 1 . 2]" 3
1254 1 71 HIS HD2 1 72 GLU HG3 . . 4.660 4.431 3.795 4.678 0.018 10 0 "[ . 1 . 2]" 3
1255 1 72 GLU H 1 73 THR HA . . 5.370 5.219 5.087 5.289 . 0 0 "[ . 1 . 2]" 3
1256 1 74 LYS HG3 1 75 PHE QD . . 5.230 4.706 4.050 5.105 . 0 0 "[ . 1 . 2]" 3
1257 1 61 LYS QZ 1 75 PHE HB2 . . 5.370 4.283 3.928 4.957 . 0 0 "[ . 1 . 2]" 3
1258 1 61 LYS QZ 1 75 PHE HB3 . . 5.280 4.557 4.021 5.281 0.001 12 0 "[ . 1 . 2]" 3
1259 1 34 TYR QD 1 35 LYS HG2 . . 5.150 4.151 2.838 4.942 . 0 0 "[ . 1 . 2]" 3
1260 1 34 TYR QD 1 37 THR HB . . 5.500 5.064 4.608 5.503 0.003 16 0 "[ . 1 . 2]" 3
1261 1 34 TYR QD 1 35 LYS H . . 4.700 3.440 2.178 4.113 . 0 0 "[ . 1 . 2]" 3
1262 1 17 LYS HD2 1 22 PHE QD . . 5.420 5.263 4.328 5.420 0.000 2 0 "[ . 1 . 2]" 3
1263 1 22 PHE H 1 22 PHE QD . . 4.120 3.594 3.549 3.644 . 0 0 "[ . 1 . 2]" 3
1264 1 22 PHE H 1 22 PHE QE . . 5.070 4.790 4.763 4.915 . 0 0 "[ . 1 . 2]" 3
1265 1 53 ILE MD 1 59 PHE QD . . 5.500 5.404 5.249 5.525 0.025 5 0 "[ . 1 . 2]" 3
1266 1 44 PHE HZ 1 58 PHE QD . . 4.110 2.836 2.505 3.356 . 0 0 "[ . 1 . 2]" 3
1267 1 44 PHE HZ 1 65 PHE HB3 . . 4.410 3.017 2.386 3.450 . 0 0 "[ . 1 . 2]" 3
1268 1 58 PHE QD 1 59 PHE HA . . 4.580 3.480 3.040 3.756 . 0 0 "[ . 1 . 2]" 3
1269 1 44 PHE QE 1 58 PHE QD . . 3.990 2.514 2.234 2.777 . 0 0 "[ . 1 . 2]" 3
1270 1 53 ILE MG 1 58 PHE QE . . 5.280 4.828 4.182 5.136 . 0 0 "[ . 1 . 2]" 3
1271 1 34 TYR QD 1 58 PHE QE . . 4.880 3.251 2.232 4.407 . 0 0 "[ . 1 . 2]" 3
1272 1 34 TYR HA 1 35 LYS H . . 3.090 2.166 2.136 2.313 . 0 0 "[ . 1 . 2]" 3
1273 1 34 TYR HA 1 34 TYR QD . . 3.230 2.820 2.354 3.178 . 0 0 "[ . 1 . 2]" 3
1274 1 39 TRP HD1 1 44 PHE HB2 . . 5.260 5.061 4.948 5.150 . 0 0 "[ . 1 . 2]" 3
1275 1 53 ILE MD 1 65 PHE QD . . 5.050 4.711 4.314 4.975 . 0 0 "[ . 1 . 2]" 3
1276 1 58 PHE HB2 1 66 TYR H . . 4.970 4.498 4.243 4.734 . 0 0 "[ . 1 . 2]" 3
1277 1 73 THR MG 1 74 LYS H . . 3.960 2.173 1.851 2.523 . 0 0 "[ . 1 . 2]" 3
1278 1 73 THR H 1 73 THR MG . . 3.340 1.918 1.870 2.096 . 0 0 "[ . 1 . 2]" 3
1279 1 72 GLU HB2 1 73 THR MG . . 4.330 3.874 3.734 4.056 . 0 0 "[ . 1 . 2]" 3
1280 1 72 GLU HB3 1 73 THR MG . . 4.880 4.858 4.785 4.892 0.012 18 0 "[ . 1 . 2]" 3
1281 1 32 VAL MG1 1 33 GLU HA . . 4.380 4.275 4.139 4.402 0.022 16 0 "[ . 1 . 2]" 3
1282 1 32 VAL MG1 1 38 VAL HA . . 5.170 4.761 4.654 4.933 . 0 0 "[ . 1 . 2]" 3
1283 1 44 PHE QE 1 58 PHE HB3 . . 4.460 2.180 1.993 2.682 . 0 0 "[ . 1 . 2]" 3
1284 1 44 PHE HZ 1 58 PHE QE . . 4.330 3.436 2.767 3.951 . 0 0 "[ . 1 . 2]" 3
1285 1 44 PHE HZ 1 65 PHE QD . . 4.270 3.038 2.016 3.732 . 0 0 "[ . 1 . 2]" 3
1286 1 44 PHE HZ 1 58 PHE HB3 . . 4.970 3.535 2.856 4.115 . 0 0 "[ . 1 . 2]" 3
1287 1 39 TRP HB3 1 44 PHE QD . . 4.760 2.983 2.855 3.191 . 0 0 "[ . 1 . 2]" 3
1288 1 39 TRP HA 1 39 TRP HD1 . . 4.520 3.337 3.147 3.460 . 0 0 "[ . 1 . 2]" 3
1289 1 44 PHE QE 1 58 PHE QE . . 4.580 3.727 3.360 3.983 . 0 0 "[ . 1 . 2]" 3
1290 1 59 PHE HA 1 59 PHE QD . . 3.830 3.064 2.985 3.118 . 0 0 "[ . 1 . 2]" 3
1291 1 60 PRO HA 1 65 PHE QD . . 4.480 2.465 1.997 3.185 . 0 0 "[ . 1 . 2]" 3
1292 1 59 PHE QD 1 61 LYS QZ . . 4.980 3.056 1.856 4.139 . 0 0 "[ . 1 . 2]" 3
1293 1 59 PHE QD 1 71 HIS HD2 . . 5.370 3.856 3.516 4.073 . 0 0 "[ . 1 . 2]" 3
1294 1 39 TRP HZ2 1 65 PHE QE . . 4.560 3.226 2.610 4.254 . 0 0 "[ . 1 . 2]" 3
1295 1 46 CYS HB3 1 48 ASN H . . 4.970 3.456 3.085 3.593 . 0 0 "[ . 1 . 2]" 3
1296 1 62 GLY HA2 1 63 GLU HB2 . . 5.500 4.586 4.061 5.063 . 0 0 "[ . 1 . 2]" 3
1297 1 53 ILE MD 1 54 GLY H . . 5.020 4.414 4.271 4.557 . 0 0 "[ . 1 . 2]" 3
1298 1 17 LYS HA 1 17 LYS QE . . 4.520 4.263 4.028 4.450 . 0 0 "[ . 1 . 2]" 3
1299 1 59 PHE HB3 1 66 TYR HB3 . . 5.180 5.081 4.787 5.201 0.021 17 0 "[ . 1 . 2]" 3
1300 1 32 VAL MG2 1 40 HIS HA . . 4.640 4.571 4.408 4.660 0.020 18 0 "[ . 1 . 2]" 3
1301 1 32 VAL MG2 1 39 TRP HB3 . . 4.670 4.547 4.382 4.665 . 0 0 "[ . 1 . 2]" 3
1302 1 32 VAL MG1 1 39 TRP H . . 4.540 4.223 4.104 4.386 . 0 0 "[ . 1 . 2]" 3
1303 1 32 VAL MG2 1 54 GLY H . . 4.950 3.510 3.191 3.892 . 0 0 "[ . 1 . 2]" 3
1304 1 39 TRP H 1 39 TRP HD1 . . 5.500 5.278 5.186 5.385 . 0 0 "[ . 1 . 2]" 3
1305 1 39 TRP HD1 1 45 THR H . . 5.310 4.986 4.858 5.141 . 0 0 "[ . 1 . 2]" 3
1306 1 39 TRP HB3 1 39 TRP HD1 . . 3.790 2.625 2.594 2.680 . 0 0 "[ . 1 . 2]" 3
1307 1 39 TRP HD1 1 43 CYS HB2 . . 4.430 4.229 3.965 4.425 . 0 0 "[ . 1 . 2]" 3
1308 1 44 PHE HZ 1 65 PHE HB2 . . 5.160 4.384 3.697 4.879 . 0 0 "[ . 1 . 2]" 3
1309 1 48 ASN HD22 1 70 CYS HB3 . . 5.350 5.248 5.091 5.362 0.012 11 0 "[ . 1 . 2]" 3
1310 1 48 ASN H 1 70 CYS HB3 . . 5.270 5.120 4.876 5.220 . 0 0 "[ . 1 . 2]" 3
1311 1 66 TYR HA 1 66 TYR QE . . 4.690 4.669 4.575 4.705 0.015 9 0 "[ . 1 . 2]" 3
1312 1 66 TYR QE 1 74 LYS HE3 . . 4.300 3.655 1.996 4.302 0.002 16 0 "[ . 1 . 2]" 3
1313 1 59 PHE HA 1 60 PRO HG2 . . 4.460 4.121 4.114 4.156 . 0 0 "[ . 1 . 2]" 3
1314 1 46 CYS HB2 1 67 CYS H . . 3.840 3.429 3.220 3.844 0.004 16 0 "[ . 1 . 2]" 3
1315 1 32 VAL HB 1 39 TRP H . . 3.950 3.001 2.929 3.142 . 0 0 "[ . 1 . 2]" 3
1316 1 59 PHE HB3 1 71 HIS HD2 . . 5.500 5.411 4.912 5.505 0.005 18 0 "[ . 1 . 2]" 3
1317 1 59 PHE HB2 1 71 HIS HD2 . . 5.260 5.006 4.600 5.193 . 0 0 "[ . 1 . 2]" 3
1318 1 70 CYS HA 1 73 THR MG . . 3.840 2.209 1.988 2.372 . 0 0 "[ . 1 . 2]" 3
1319 1 29 ASP HB2 1 31 ASN HD21 . . 5.500 5.149 4.122 5.524 0.024 10 0 "[ . 1 . 2]" 3
1320 1 29 ASP HB3 1 31 ASN HD21 . . 5.410 3.586 2.405 4.029 . 0 0 "[ . 1 . 2]" 3
1321 1 29 ASP HB3 1 31 ASN HD22 . . 4.580 2.500 2.147 3.142 . 0 0 "[ . 1 . 2]" 3
1322 1 17 LYS HA 1 24 ALA HA . . 2.820 2.016 1.973 2.211 . 0 0 "[ . 1 . 2]" 3
1323 1 46 CYS HB2 1 67 CYS HA . . 4.930 4.760 4.683 4.873 . 0 0 "[ . 1 . 2]" 3
1324 1 46 CYS HB3 1 53 ILE HG12 . . 5.170 5.000 4.823 5.167 . 0 0 "[ . 1 . 2]" 3
1325 1 32 VAL HB 1 44 PHE QD . . 5.100 3.530 3.341 3.843 . 0 0 "[ . 1 . 2]" 3
1326 1 32 VAL MG1 1 44 PHE HB3 . . 4.640 4.387 4.188 4.600 . 0 0 "[ . 1 . 2]" 3
1327 1 64 ASP HA 1 65 PHE H . . 2.940 2.531 2.364 2.618 . 0 0 "[ . 1 . 2]" 3
1328 1 59 PHE QD 1 71 HIS HB3 . . 4.130 2.901 2.503 3.469 . 0 0 "[ . 1 . 2]" 3
1329 1 23 LYS HA 1 24 ALA H . . 2.780 2.187 2.168 2.257 . 0 0 "[ . 1 . 2]" 3
1330 1 23 LYS HA 1 23 LYS HG2 . . 3.400 2.465 2.435 2.603 . 0 0 "[ . 1 . 2]" 3
1331 1 23 LYS HA 1 23 LYS HG3 . . 3.490 3.217 3.108 3.286 . 0 0 "[ . 1 . 2]" 3
1332 1 18 CYS HB3 1 23 LYS HB3 . . 5.500 5.068 4.938 5.167 . 0 0 "[ . 1 . 2]" 3
1333 1 21 CYS HB2 1 23 LYS HB3 . . 5.500 5.104 4.984 5.170 . 0 0 "[ . 1 . 2]" 3
1334 1 23 LYS HB2 1 24 ALA MB . . 5.320 5.228 5.114 5.268 . 0 0 "[ . 1 . 2]" 3
1335 1 23 LYS HB3 1 24 ALA MB . . 5.080 4.293 4.230 4.342 . 0 0 "[ . 1 . 2]" 3
1336 1 23 LYS HB2 1 23 LYS QE . . 4.050 3.824 2.451 4.084 0.034 11 0 "[ . 1 . 2]" 3
1337 1 23 LYS HB3 1 23 LYS QE . . 4.110 3.434 2.330 4.101 . 0 0 "[ . 1 . 2]" 3
1338 1 46 CYS HA 1 67 CYS HB3 . . 4.630 4.016 3.910 4.177 . 0 0 "[ . 1 . 2]" 3
1339 1 71 HIS HD2 1 75 PHE HB2 . . 5.500 4.790 4.176 5.263 . 0 0 "[ . 1 . 2]" 3
1340 1 59 PHE HZ 1 71 HIS HD2 . . 5.500 3.216 2.860 3.858 . 0 0 "[ . 1 . 2]" 3
1341 1 61 LYS QZ 1 71 HIS HE1 . . 5.320 3.056 2.449 3.769 . 0 0 "[ . 1 . 2]" 3
1342 1 71 HIS HE1 1 75 PHE HB2 . . 5.500 3.134 2.704 4.233 . 0 0 "[ . 1 . 2]" 3
1343 1 71 HIS HE1 1 75 PHE HB3 . . 5.500 3.580 2.840 5.287 . 0 0 "[ . 1 . 2]" 3
1344 1 59 PHE HB3 1 71 HIS HE1 . . 5.500 4.849 3.910 5.364 . 0 0 "[ . 1 . 2]" 3
1345 1 61 LYS QE 1 71 HIS HE1 . . 5.500 4.362 3.564 5.370 . 0 0 "[ . 1 . 2]" 3
1346 1 59 PHE QE 1 71 HIS HB2 . . 5.450 4.759 4.420 5.161 . 0 0 "[ . 1 . 2]" 3
1347 1 59 PHE QE 1 71 HIS HB3 . . 5.040 3.732 3.345 4.199 . 0 0 "[ . 1 . 2]" 3
1348 1 61 LYS HD2 1 75 PHE QE . . 5.290 3.747 2.472 4.874 . 0 0 "[ . 1 . 2]" 3
1349 1 61 LYS HB3 1 75 PHE HZ . . 5.500 4.362 3.516 5.514 0.014 8 0 "[ . 1 . 2]" 3
1350 1 61 LYS HB2 1 75 PHE QE . . 5.410 4.803 4.098 5.417 0.007 10 0 "[ . 1 . 2]" 3
1351 1 61 LYS HB3 1 75 PHE QE . . 5.410 4.868 4.189 5.433 0.023 18 0 "[ . 1 . 2]" 3
1352 1 61 LYS HB2 1 75 PHE HZ . . 5.500 4.909 3.976 5.506 0.006 10 0 "[ . 1 . 2]" 3
1353 1 61 LYS HD3 1 75 PHE HZ . . 5.500 4.180 3.509 5.378 . 0 0 "[ . 1 . 2]" 3
1354 1 74 LYS HD2 1 75 PHE HZ . . 5.500 5.103 3.016 5.500 0.000 6 0 "[ . 1 . 2]" 3
1355 1 41 LYS HA 1 41 LYS QE . . 5.020 4.713 4.348 5.041 0.021 17 0 "[ . 1 . 2]" 3
1356 1 39 TRP HH2 1 65 PHE HZ . . 4.910 2.694 1.999 3.478 . 0 0 "[ . 1 . 2]" 3
1357 1 34 TYR QD 1 35 LYS QD . . 4.810 4.389 3.637 4.815 0.005 5 0 "[ . 1 . 2]" 3
1358 1 34 TYR QE 1 35 LYS HE2 . . 4.270 3.201 2.001 4.291 0.021 4 0 "[ . 1 . 2]" 3
1359 1 34 TYR HB3 1 39 TRP HH2 . . 5.240 3.623 3.396 3.930 . 0 0 "[ . 1 . 2]" 3
1360 1 34 TYR HB3 1 58 PHE QE . . 5.500 4.565 3.872 5.368 . 0 0 "[ . 1 . 2]" 3
1361 1 34 TYR HB2 1 39 TRP HH2 . . 5.240 5.184 4.824 5.272 0.032 14 0 "[ . 1 . 2]" 3
1362 1 34 TYR HB2 1 58 PHE QE . . 5.500 3.584 2.876 4.227 . 0 0 "[ . 1 . 2]" 3
1363 1 34 TYR QD 1 58 PHE HZ . . 4.740 2.916 2.001 4.688 . 0 0 "[ . 1 . 2]" 3
1364 1 58 PHE HA 1 67 CYS HA . . 3.520 2.487 2.364 2.676 . 0 0 "[ . 1 . 2]" 3
1365 1 59 PHE HB2 1 71 HIS HB2 . . 4.500 2.515 2.116 2.797 . 0 0 "[ . 1 . 2]" 3
1366 1 15 SER HA 1 16 PRO QG . . 4.120 3.941 3.848 4.079 . 0 0 "[ . 1 . 2]" 3
1367 1 59 PHE HA 1 60 PRO HG3 . . 4.460 4.382 4.321 4.433 . 0 0 "[ . 1 . 2]" 3
1368 1 65 PHE HA 1 66 TYR QD . . 4.530 3.312 2.994 3.732 . 0 0 "[ . 1 . 2]" 3
1369 1 16 PRO HB3 1 38 VAL MG2 . . 4.400 4.226 3.773 4.404 0.004 8 0 "[ . 1 . 2]" 3
1370 1 18 CYS HA 1 19 LYS HA . . 4.590 4.392 4.381 4.403 . 0 0 "[ . 1 . 2]" 3
1371 1 31 ASN HD21 1 38 VAL MG2 . . 4.380 3.658 3.240 4.273 . 0 0 "[ . 1 . 2]" 3
1372 1 26 VAL MG2 1 29 ASP H . . 4.880 1.956 1.857 2.130 . 0 0 "[ . 1 . 2]" 3
1373 1 15 SER H 1 15 SER QB . . 3.520 2.843 2.427 3.229 . 0 0 "[ . 1 . 2]" 3
1374 1 15 SER H 1 16 PRO QD . . 4.630 4.242 4.087 4.363 . 0 0 "[ . 1 . 2]" 3
1375 1 15 SER QB 1 16 PRO QG . . 4.560 3.855 3.467 4.526 . 0 0 "[ . 1 . 2]" 3
1376 1 15 SER QB 1 24 ALA MB . . 3.320 2.782 2.595 3.114 . 0 0 "[ . 1 . 2]" 3
1377 1 15 SER QB 1 25 ILE H . . 4.250 3.767 3.471 4.080 . 0 0 "[ . 1 . 2]" 3
1378 1 16 PRO QD 1 25 ILE H . . 4.700 4.035 3.937 4.085 . 0 0 "[ . 1 . 2]" 3
1379 1 16 PRO QD 1 25 ILE HB . . 5.190 3.997 3.842 4.075 . 0 0 "[ . 1 . 2]" 3
1380 1 16 PRO QD 1 25 ILE MG . . 5.180 4.664 4.472 4.799 . 0 0 "[ . 1 . 2]" 3
1381 1 18 CYS HA 1 19 LYS QB . . 4.270 3.995 3.940 4.130 . 0 0 "[ . 1 . 2]" 3
1382 1 19 LYS H 1 19 LYS QB . . 3.280 2.409 2.319 2.450 . 0 0 "[ . 1 . 2]" 3
1383 1 19 LYS H 1 19 LYS QG . . 4.860 4.034 3.424 4.152 . 0 0 "[ . 1 . 2]" 3
1384 1 19 LYS H 1 19 LYS QD . . 5.260 4.432 4.263 4.647 . 0 0 "[ . 1 . 2]" 3
1385 1 19 LYS HA 1 19 LYS QG . . 3.370 2.660 2.226 3.089 . 0 0 "[ . 1 . 2]" 3
1386 1 19 LYS HA 1 19 LYS QD . . 3.030 2.379 2.034 2.829 . 0 0 "[ . 1 . 2]" 3
1387 1 19 LYS QB 1 19 LYS QD . . 3.300 2.258 2.102 2.529 . 0 0 "[ . 1 . 2]" 3
1388 1 19 LYS QB 1 19 LYS QE . . 4.360 3.326 2.236 3.734 . 0 0 "[ . 1 . 2]" 3
1389 1 19 LYS QB 1 39 TRP HD1 . . 4.530 3.148 2.929 3.310 . 0 0 "[ . 1 . 2]" 3
1390 1 19 LYS QB 1 39 TRP HE1 . . 4.200 1.936 1.874 2.241 . 0 0 "[ . 1 . 2]" 3
1391 1 19 LYS QB 1 39 TRP HZ2 . . 5.340 3.316 3.041 3.497 . 0 0 "[ . 1 . 2]" 3
1392 1 19 LYS QE 1 19 LYS QG . . 3.010 2.167 2.049 2.344 . 0 0 "[ . 1 . 2]" 3
1393 1 19 LYS QG 1 22 PHE QE . . 5.030 3.628 2.966 4.391 . 0 0 "[ . 1 . 2]" 3
1394 1 19 LYS QG 1 22 PHE HZ . . 5.270 4.696 4.091 5.288 0.018 13 0 "[ . 1 . 2]" 3
1395 1 19 LYS QG 1 39 TRP HD1 . . 5.340 4.624 3.759 5.241 . 0 0 "[ . 1 . 2]" 3
1396 1 19 LYS QG 1 39 TRP HE1 . . 4.100 2.787 2.033 3.479 . 0 0 "[ . 1 . 2]" 3
1397 1 19 LYS QG 1 39 TRP HZ2 . . 4.110 3.075 2.482 3.518 . 0 0 "[ . 1 . 2]" 3
1398 1 19 LYS QD 1 22 PHE HZ . . 5.340 4.346 3.283 5.345 0.005 17 0 "[ . 1 . 2]" 3
1399 1 19 LYS QD 1 39 TRP HE1 . . 5.020 4.070 2.927 4.609 . 0 0 "[ . 1 . 2]" 3
1400 1 19 LYS QD 1 39 TRP HZ2 . . 4.590 4.448 4.117 4.621 0.031 12 0 "[ . 1 . 2]" 3
1401 1 25 ILE HA 1 26 VAL QG . . 3.630 3.299 3.184 3.357 . 0 0 "[ . 1 . 2]" 3
1402 1 25 ILE MG 1 31 ASN QB . . 3.110 2.325 1.895 2.588 . 0 0 "[ . 1 . 2]" 3
1403 1 26 VAL H 1 26 VAL QG . . 2.690 2.025 1.850 2.153 . 0 0 "[ . 1 . 2]" 3
1404 1 26 VAL HA 1 26 VAL QG . . 2.980 2.193 2.156 2.241 . 0 0 "[ . 1 . 2]" 3
1405 1 26 VAL QG 1 27 ALA H . . 3.300 2.948 2.891 3.020 . 0 0 "[ . 1 . 2]" 3
1406 1 26 VAL QG 1 27 ALA MB . . 4.390 3.964 3.922 4.026 . 0 0 "[ . 1 . 2]" 3
1407 1 26 VAL QG 1 29 ASP H . . 4.130 1.954 1.856 2.126 . 0 0 "[ . 1 . 2]" 3
1408 1 26 VAL QG 1 29 ASP HB2 . . 3.650 1.851 1.823 1.871 . 0 0 "[ . 1 . 2]" 3
1409 1 26 VAL QG 1 29 ASP HB3 . . 4.260 2.403 2.263 2.570 . 0 0 "[ . 1 . 2]" 3
1410 1 26 VAL QG 1 40 HIS HD2 . . 5.440 4.556 4.370 4.709 . 0 0 "[ . 1 . 2]" 3
1411 1 27 ALA HA 1 28 GLY QA . . 4.880 4.535 4.521 4.544 . 0 0 "[ . 1 . 2]" 3
1412 1 28 GLY QA 1 29 ASP HB2 . . 5.340 4.476 4.450 4.508 . 0 0 "[ . 1 . 2]" 3
1413 1 30 GLN H 1 30 GLN QG . . 3.710 3.098 2.241 3.616 . 0 0 "[ . 1 . 2]" 3
1414 1 30 GLN HA 1 30 GLN QG . . 3.100 2.412 2.213 2.893 . 0 0 "[ . 1 . 2]" 3
1415 1 30 GLN HA 1 41 LYS QD . . 5.340 4.337 4.122 4.527 . 0 0 "[ . 1 . 2]" 3
1416 1 30 GLN QG 1 31 ASN H . . 4.740 4.141 3.776 4.664 . 0 0 "[ . 1 . 2]" 3
1417 1 30 GLN QG 1 41 LYS HB2 . . 5.230 4.070 3.811 4.497 . 0 0 "[ . 1 . 2]" 3
1418 1 30 GLN QG 1 41 LYS QD . . 4.380 2.870 2.442 3.485 . 0 0 "[ . 1 . 2]" 3
1419 1 30 GLN QG 1 55 THR MG . . 4.670 2.953 2.548 3.731 . 0 0 "[ . 1 . 2]" 3
1420 1 31 ASN H 1 31 ASN QB . . 3.650 3.003 2.905 3.181 . 0 0 "[ . 1 . 2]" 3
1421 1 31 ASN HA 1 31 ASN QB . . 2.610 2.226 2.163 2.256 . 0 0 "[ . 1 . 2]" 3
1422 1 31 ASN QB 1 31 ASN HD21 . . 3.050 2.143 2.113 2.229 . 0 0 "[ . 1 . 2]" 3
1423 1 31 ASN QB 1 31 ASN HD22 . . 3.510 3.263 3.250 3.297 . 0 0 "[ . 1 . 2]" 3
1424 1 31 ASN QB 1 32 VAL HA . . 5.340 4.039 4.020 4.069 . 0 0 "[ . 1 . 2]" 3
1425 1 31 ASN QB 1 32 VAL HB . . 5.310 4.795 4.728 4.864 . 0 0 "[ . 1 . 2]" 3
1426 1 31 ASN QB 1 38 VAL HB . . 5.340 4.351 4.235 4.544 . 0 0 "[ . 1 . 2]" 3
1427 1 31 ASN QB 1 38 VAL MG1 . . 3.850 3.796 3.698 3.877 0.027 4 0 "[ . 1 . 2]" 3
1428 1 31 ASN QB 1 40 HIS HA . . 4.030 2.509 2.343 2.657 . 0 0 "[ . 1 . 2]" 3
1429 1 32 VAL MG1 1 34 TYR QB . . 4.290 3.540 3.173 3.885 . 0 0 "[ . 1 . 2]" 3
1430 1 33 GLU HA 1 34 TYR QB . . 4.850 3.990 3.913 4.095 . 0 0 "[ . 1 . 2]" 3
1431 1 33 GLU HG2 1 36 GLY QA . . 4.490 3.678 3.499 3.838 . 0 0 "[ . 1 . 2]" 3
1432 1 34 TYR HA 1 35 LYS QG . . 4.550 4.063 3.598 4.499 . 0 0 "[ . 1 . 2]" 3
1433 1 34 TYR QB 1 39 TRP HZ3 . . 4.100 2.055 1.950 2.281 . 0 0 "[ . 1 . 2]" 3
1434 1 34 TYR QB 1 39 TRP HH2 . . 4.590 3.556 3.332 3.819 . 0 0 "[ . 1 . 2]" 3
1435 1 34 TYR QB 1 58 PHE QE . . 4.780 3.455 2.803 4.074 . 0 0 "[ . 1 . 2]" 3
1436 1 34 TYR QB 1 58 PHE HZ . . 4.390 2.633 2.098 3.526 . 0 0 "[ . 1 . 2]" 3
1437 1 34 TYR QD 1 35 LYS QG . . 4.330 2.872 2.035 3.589 . 0 0 "[ . 1 . 2]" 3
1438 1 34 TYR QD 1 35 LYS QE . . 4.800 3.845 3.134 4.813 0.013 11 0 "[ . 1 . 2]" 3
1439 1 34 TYR QE 1 35 LYS QG . . 3.920 2.547 1.977 3.182 . 0 0 "[ . 1 . 2]" 3
1440 1 34 TYR QE 1 60 PRO QG . . 3.700 2.777 2.034 3.698 . 0 0 "[ . 1 . 2]" 3
1441 1 35 LYS H 1 35 LYS QG . . 3.780 2.847 2.615 3.096 . 0 0 "[ . 1 . 2]" 3
1442 1 35 LYS HA 1 35 LYS QG . . 2.830 2.286 2.133 2.571 . 0 0 "[ . 1 . 2]" 3
1443 1 35 LYS HA 1 35 LYS QE . . 4.750 4.448 3.369 4.713 . 0 0 "[ . 1 . 2]" 3
1444 1 35 LYS HB3 1 36 GLY QA . . 4.550 4.442 4.328 4.570 0.020 16 0 "[ . 1 . 2]" 3
1445 1 35 LYS QE 1 35 LYS QG . . 3.010 2.154 2.077 2.288 . 0 0 "[ . 1 . 2]" 3
1446 1 35 LYS QG 1 36 GLY H . . 5.090 4.560 4.483 4.801 . 0 0 "[ . 1 . 2]" 3
1447 1 40 HIS HB3 1 42 ASP QB . . 5.060 3.874 3.249 4.360 . 0 0 "[ . 1 . 2]" 3
1448 1 41 LYS H 1 41 LYS QD . . 5.020 4.418 4.395 4.437 . 0 0 "[ . 1 . 2]" 3
1449 1 41 LYS QD 1 55 THR H . . 4.370 2.931 2.516 3.231 . 0 0 "[ . 1 . 2]" 3
1450 1 42 ASP H 1 42 ASP QB . . 3.010 2.625 2.214 2.950 . 0 0 "[ . 1 . 2]" 3
1451 1 42 ASP QB 1 43 CYS H . . 3.930 3.216 2.751 3.544 . 0 0 "[ . 1 . 2]" 3
1452 1 42 ASP QB 1 43 CYS HA . . 4.980 4.211 3.863 4.609 . 0 0 "[ . 1 . 2]" 3
1453 1 42 ASP QB 1 52 VAL MG1 . . 3.850 3.392 3.231 3.551 . 0 0 "[ . 1 . 2]" 3
1454 1 42 ASP QB 1 52 VAL MG2 . . 3.760 3.574 3.350 3.777 0.017 8 0 "[ . 1 . 2]" 3
1455 1 46 CYS HB3 1 50 LYS QG . . 5.130 4.424 4.219 4.770 . 0 0 "[ . 1 . 2]" 3
1456 1 46 CYS HB3 1 51 GLN QB . . 4.610 3.876 3.678 4.312 . 0 0 "[ . 1 . 2]" 3
1457 1 47 SER H 1 47 SER QB . . 3.080 2.477 2.272 2.850 . 0 0 "[ . 1 . 2]" 3
1458 1 47 SER HA 1 64 ASP QB . . 5.330 4.932 4.314 5.335 0.005 7 0 "[ . 1 . 2]" 3
1459 1 47 SER QB 1 48 ASN H . . 3.770 3.238 2.968 3.635 . 0 0 "[ . 1 . 2]" 3
1460 1 47 SER QB 1 64 ASP QB . . 3.200 2.447 2.001 2.790 . 0 0 "[ . 1 . 2]" 3
1461 1 47 SER QB 1 65 PHE H . . 3.440 2.246 1.896 2.660 . 0 0 "[ . 1 . 2]" 3
1462 1 47 SER QB 1 66 TYR QD . . 4.460 4.020 3.403 4.418 . 0 0 "[ . 1 . 2]" 3
1463 1 47 SER QB 1 66 TYR QE . . 3.940 3.738 3.174 3.983 0.043 8 0 "[ . 1 . 2]" 3
1464 1 48 ASN HD21 1 49 CYS QB . . 3.970 2.264 2.159 2.498 . 0 0 "[ . 1 . 2]" 3
1465 1 49 CYS H 1 49 CYS QB . . 3.090 2.637 2.562 2.727 . 0 0 "[ . 1 . 2]" 3
1466 1 49 CYS H 1 50 LYS QG . . 5.340 4.524 4.051 5.368 0.028 3 0 "[ . 1 . 2]" 3
1467 1 49 CYS QB 1 51 GLN H . . 4.540 4.033 3.900 4.214 . 0 0 "[ . 1 . 2]" 3
1468 1 49 CYS QB 1 51 GLN QG . . 4.130 2.994 2.227 4.127 . 0 0 "[ . 1 . 2]" 3
1469 1 50 LYS H 1 50 LYS QG . . 3.700 2.975 2.597 3.601 . 0 0 "[ . 1 . 2]" 3
1470 1 50 LYS H 1 50 LYS QD . . 3.710 3.045 2.197 3.686 . 0 0 "[ . 1 . 2]" 3
1471 1 50 LYS HA 1 50 LYS QG . . 3.480 2.716 2.213 3.475 . 0 0 "[ . 1 . 2]" 3
1472 1 50 LYS HA 1 50 LYS QD . . 3.340 2.594 2.218 3.272 . 0 0 "[ . 1 . 2]" 3
1473 1 51 GLN H 1 51 GLN QB . . 2.950 2.527 2.375 2.809 . 0 0 "[ . 1 . 2]" 3
1474 1 51 GLN QB 1 52 VAL H . . 3.260 3.261 3.046 3.310 0.050 16 0 "[ . 1 . 2]" 3
1475 1 58 PHE QD 1 60 PRO QG . . 4.450 3.879 3.543 4.321 . 0 0 "[ . 1 . 2]" 3
1476 1 58 PHE QE 1 60 PRO QG . . 3.660 2.805 2.377 3.456 . 0 0 "[ . 1 . 2]" 3
1477 1 59 PHE QE 1 72 GLU QG . . 5.180 4.030 3.603 4.569 . 0 0 "[ . 1 . 2]" 3
1478 1 60 PRO QG 1 65 PHE QE . . 4.820 3.978 3.585 4.357 . 0 0 "[ . 1 . 2]" 3
1479 1 61 LYS H 1 61 LYS QB . . 3.270 2.431 2.206 2.626 . 0 0 "[ . 1 . 2]" 3
1480 1 61 LYS H 1 64 ASP QB . . 4.300 3.807 2.818 4.314 0.014 5 0 "[ . 1 . 2]" 3
1481 1 61 LYS HA 1 61 LYS QG . . 3.330 2.618 2.212 2.930 . 0 0 "[ . 1 . 2]" 3
1482 1 61 LYS QB 1 61 LYS QD . . 3.220 2.338 2.071 2.685 . 0 0 "[ . 1 . 2]" 3
1483 1 61 LYS QB 1 64 ASP H . . 4.530 4.004 3.544 4.468 . 0 0 "[ . 1 . 2]" 3
1484 1 61 LYS QB 1 64 ASP QB . . 3.650 2.947 2.034 3.616 . 0 0 "[ . 1 . 2]" 3
1485 1 61 LYS QB 1 66 TYR QD . . 4.150 2.333 1.992 2.671 . 0 0 "[ . 1 . 2]" 3
1486 1 61 LYS QB 1 75 PHE QE . . 4.730 4.270 3.826 4.720 . 0 0 "[ . 1 . 2]" 3
1487 1 61 LYS QB 1 75 PHE HZ . . 4.850 4.022 3.322 4.663 . 0 0 "[ . 1 . 2]" 3
1488 1 61 LYS QE 1 61 LYS QG . . 3.220 2.155 1.993 2.298 . 0 0 "[ . 1 . 2]" 3
1489 1 61 LYS QG 1 66 TYR QE . . 4.310 3.609 2.999 4.311 0.001 15 0 "[ . 1 . 2]" 3
1490 1 61 LYS QG 1 75 PHE QE . . 4.880 2.944 2.118 4.041 . 0 0 "[ . 1 . 2]" 3
1491 1 61 LYS QG 1 75 PHE HZ . . 4.450 2.931 1.970 3.838 . 0 0 "[ . 1 . 2]" 3
1492 1 61 LYS QD 1 66 TYR QD . . 5.310 4.014 2.205 5.067 . 0 0 "[ . 1 . 2]" 3
1493 1 61 LYS QD 1 66 TYR QE . . 5.010 4.717 3.951 5.040 0.030 18 0 "[ . 1 . 2]" 3
1494 1 61 LYS QD 1 75 PHE HZ . . 4.680 3.073 1.988 4.515 . 0 0 "[ . 1 . 2]" 3
1495 1 62 GLY QA 1 63 GLU H . . 2.910 2.192 2.140 2.361 . 0 0 "[ . 1 . 2]" 3
1496 1 62 GLY QA 1 63 GLU HA . . 4.250 4.052 3.929 4.238 . 0 0 "[ . 1 . 2]" 3
1497 1 62 GLY QA 1 63 GLU QB . . 3.890 3.689 3.530 3.862 . 0 0 "[ . 1 . 2]" 3
1498 1 62 GLY QA 1 64 ASP H . . 3.910 3.804 3.538 3.923 0.013 18 0 "[ . 1 . 2]" 3
1499 1 63 GLU H 1 63 GLU QB . . 3.560 2.692 2.288 3.156 . 0 0 "[ . 1 . 2]" 3
1500 1 63 GLU H 1 63 GLU QG . . 4.440 4.007 3.207 4.422 . 0 0 "[ . 1 . 2]" 3
1501 1 63 GLU HA 1 63 GLU QB . . 2.610 2.417 2.304 2.501 . 0 0 "[ . 1 . 2]" 3
1502 1 63 GLU HA 1 63 GLU QG . . 2.990 2.603 2.133 3.009 0.019 2 0 "[ . 1 . 2]" 3
1503 1 63 GLU QB 1 64 ASP H . . 4.070 3.663 2.893 3.933 . 0 0 "[ . 1 . 2]" 3
1504 1 64 ASP H 1 64 ASP QB . . 2.990 2.725 2.253 2.947 . 0 0 "[ . 1 . 2]" 3
1505 1 64 ASP QB 1 65 PHE H . . 3.060 2.157 1.989 2.504 . 0 0 "[ . 1 . 2]" 3
1506 1 64 ASP QB 1 66 TYR QD . . 4.370 3.118 2.731 3.376 . 0 0 "[ . 1 . 2]" 3
1507 1 64 ASP QB 1 66 TYR QE . . 3.240 2.072 1.833 2.252 . 0 0 "[ . 1 . 2]" 3
1508 1 66 TYR QD 1 74 LYS QD . . 5.110 2.755 2.476 3.102 . 0 0 "[ . 1 . 2]" 3
1509 1 66 TYR QE 1 74 LYS QB . . 5.340 4.454 3.985 4.891 . 0 0 "[ . 1 . 2]" 3
1510 1 66 TYR QE 1 74 LYS QG . . 5.290 4.437 4.096 4.889 . 0 0 "[ . 1 . 2]" 3
1511 1 66 TYR QE 1 74 LYS QD . . 3.890 2.656 2.209 3.270 . 0 0 "[ . 1 . 2]" 3
1512 1 66 TYR QE 1 74 LYS QE . . 3.540 2.950 1.987 3.677 0.137 20 0 "[ . 1 . 2]" 3
1513 1 68 VAL HA 1 72 GLU QG . . 4.530 3.466 3.179 3.678 . 0 0 "[ . 1 . 2]" 3
1514 1 68 VAL MG1 1 72 GLU QG . . 3.010 1.986 1.815 2.093 . 0 0 "[ . 1 . 2]" 3
1515 1 68 VAL MG2 1 72 GLU QG . . 4.090 4.035 3.809 4.113 0.023 10 0 "[ . 1 . 2]" 3
1516 1 70 CYS HA 1 74 LYS QB . . 4.730 3.855 3.630 3.949 . 0 0 "[ . 1 . 2]" 3
1517 1 71 HIS HA 1 74 LYS QB . . 3.280 2.347 2.206 2.720 . 0 0 "[ . 1 . 2]" 3
1518 1 71 HIS HA 1 74 LYS QD . . 4.580 3.544 3.199 4.270 . 0 0 "[ . 1 . 2]" 3
1519 1 71 HIS HB3 1 72 GLU QG . . 4.460 3.778 3.627 3.952 . 0 0 "[ . 1 . 2]" 3
1520 1 72 GLU H 1 72 GLU QG . . 3.300 2.489 2.349 2.747 . 0 0 "[ . 1 . 2]" 3
1521 1 72 GLU HA 1 72 GLU QG . . 3.090 2.567 2.287 2.763 . 0 0 "[ . 1 . 2]" 3
1522 1 72 GLU QG 1 73 THR H . . 4.490 4.158 4.015 4.302 . 0 0 "[ . 1 . 2]" 3
1523 1 72 GLU QG 1 76 ALA MB . . 4.240 3.660 3.178 4.002 . 0 0 "[ . 1 . 2]" 3
1524 1 74 LYS H 1 74 LYS QB . . 2.870 2.254 2.155 2.328 . 0 0 "[ . 1 . 2]" 3
1525 1 74 LYS HA 1 74 LYS QD . . 4.400 3.980 3.676 4.197 . 0 0 "[ . 1 . 2]" 3
1526 1 74 LYS QB 1 75 PHE H . . 3.750 2.131 1.971 2.324 . 0 0 "[ . 1 . 2]" 3
1527 1 74 LYS QB 1 75 PHE QD . . 3.930 2.488 2.137 3.098 . 0 0 "[ . 1 . 2]" 3
1528 1 74 LYS QB 1 75 PHE QE . . 4.410 3.453 2.996 3.877 . 0 0 "[ . 1 . 2]" 3
1529 1 74 LYS QE 1 74 LYS QG . . 3.210 2.214 2.033 2.438 . 0 0 "[ . 1 . 2]" 3
1530 1 74 LYS QG 1 75 PHE H . . 4.560 3.353 2.872 3.769 . 0 0 "[ . 1 . 2]" 3
1531 1 74 LYS QG 1 75 PHE QD . . 4.480 3.348 2.504 3.935 . 0 0 "[ . 1 . 2]" 3
1532 1 74 LYS QG 1 75 PHE QE . . 4.780 3.470 2.127 4.115 . 0 0 "[ . 1 . 2]" 3
1533 1 74 LYS QG 1 75 PHE HZ . . 5.230 4.425 3.557 5.221 . 0 0 "[ . 1 . 2]" 3
1534 1 74 LYS QD 1 75 PHE QD . . 4.770 3.136 2.302 4.223 . 0 0 "[ . 1 . 2]" 3
1535 1 74 LYS QD 1 75 PHE QE . . 4.510 2.181 1.979 2.860 . 0 0 "[ . 1 . 2]" 3
1536 1 74 LYS QD 1 75 PHE HZ . . 4.690 3.564 2.685 4.029 . 0 0 "[ . 1 . 2]" 3
1537 1 74 LYS QE 1 75 PHE HZ . . 4.730 3.640 2.726 4.532 . 0 0 "[ . 1 . 2]" 3
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