NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506590 |
2cot   |
11205 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2cot
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 22
_Distance_constraint_stats_list.Viol_count 72
_Distance_constraint_stats_list.Viol_total 2.010
_Distance_constraint_stats_list.Viol_max 0.007
_Distance_constraint_stats_list.Viol_rms 0.0009
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0014
_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 21 CYS 0.018 0.005 19 0 "[ . 1 . 2]"
1 24 CYS 0.017 0.005 19 0 "[ . 1 . 2]"
1 37 HIS 0.004 0.001 13 0 "[ . 1 . 2]"
1 41 HIS 0.013 0.007 20 0 "[ . 1 . 2]"
1 49 CYS 0.004 0.001 17 0 "[ . 1 . 2]"
1 52 CYS 0.011 0.003 4 0 "[ . 1 . 2]"
1 65 HIS 0.018 0.007 9 0 "[ . 1 . 2]"
1 66 HIS 0.014 0.007 9 0 "[ . 1 . 2]"
1 67 ARG 0.016 0.005 4 0 "[ . 1 . 2]"
1 68 VAL 0.016 0.005 4 0 "[ . 1 . 2]"
1 69 HIS 0.007 0.002 10 0 "[ . 1 . 2]"
2 1 ZN 0.051 0.007 20 0 "[ . 1 . 2]"
3 1 ZN 0.013 0.003 4 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 21 CYS SG 2 1 ZN ZN . 2.330 2.330 2.330 2.325 2.334 0.005 19 0 "[ . 1 . 2]" 1
2 1 24 CYS SG 2 1 ZN ZN . 2.330 2.370 2.357 2.325 2.375 0.005 19 0 "[ . 1 . 2]" 1
3 1 37 HIS NE2 2 1 ZN ZN . 2.030 2.070 2.062 2.030 2.071 0.001 13 0 "[ . 1 . 2]" 1
4 1 41 HIS NE2 2 1 ZN ZN . 2.030 2.070 2.062 2.028 2.077 0.007 20 0 "[ . 1 . 2]" 1
5 1 21 CYS SG 1 24 CYS SG . 3.200 4.000 3.839 3.591 3.999 . 0 0 "[ . 1 . 2]" 1
6 1 21 CYS SG 1 37 HIS NE2 . 3.200 4.000 3.485 3.200 3.974 0.000 3 0 "[ . 1 . 2]" 1
7 1 21 CYS SG 1 41 HIS NE2 . 3.200 4.000 3.656 3.215 3.999 . 0 0 "[ . 1 . 2]" 1
8 1 24 CYS SG 1 37 HIS NE2 . 3.200 4.000 3.304 3.201 3.555 . 0 0 "[ . 1 . 2]" 1
9 1 24 CYS SG 1 41 HIS NE2 . 3.200 4.000 3.628 3.279 3.881 . 0 0 "[ . 1 . 2]" 1
10 1 37 HIS NE2 1 41 HIS NE2 . 3.200 4.000 3.511 3.202 3.748 . 0 0 "[ . 1 . 2]" 1
11 1 49 CYS SG 3 1 ZN ZN . 2.330 2.370 2.353 2.329 2.371 0.001 17 0 "[ . 1 . 2]" 1
12 1 52 CYS SG 3 1 ZN ZN . 2.330 2.370 2.361 2.329 2.373 0.003 4 0 "[ . 1 . 2]" 1
13 1 65 HIS NE2 3 1 ZN ZN . 2.030 2.070 2.048 2.029 2.070 0.001 15 0 "[ . 1 . 2]" 1
14 1 69 HIS NE2 3 1 ZN ZN . 2.030 2.070 2.057 2.030 2.072 0.002 10 0 "[ . 1 . 2]" 1
15 1 49 CYS SG 1 52 CYS SG . 3.200 4.000 3.561 3.200 3.893 0.000 15 0 "[ . 1 . 2]" 1
16 1 49 CYS SG 1 65 HIS NE2 . 3.200 4.000 3.548 3.243 3.860 . 0 0 "[ . 1 . 2]" 1
17 1 49 CYS SG 1 69 HIS NE2 . 3.200 4.000 3.720 3.199 4.001 0.001 6 0 "[ . 1 . 2]" 1
18 1 52 CYS SG 1 65 HIS NE2 . 3.200 4.000 3.238 3.198 3.388 0.002 4 0 "[ . 1 . 2]" 1
19 1 52 CYS SG 1 69 HIS NE2 . 3.200 4.000 3.881 3.634 4.002 0.002 10 0 "[ . 1 . 2]" 1
20 1 65 HIS NE2 1 69 HIS NE2 . 3.200 4.000 3.414 3.200 3.757 . 0 0 "[ . 1 . 2]" 1
21 1 67 ARG H 1 68 VAL H . 2.800 4.070 2.933 2.795 3.103 0.005 4 0 "[ . 1 . 2]" 1
22 1 65 HIS H 1 66 HIS H . 2.800 3.850 2.890 2.793 3.029 0.007 9 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 835
_Distance_constraint_stats_list.Viol_count 290
_Distance_constraint_stats_list.Viol_total 88.606
_Distance_constraint_stats_list.Viol_max 0.173
_Distance_constraint_stats_list.Viol_rms 0.0036
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0153
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.002 0.002 3 0 "[ . 1 . 2]"
1 11 TRP 0.118 0.031 7 0 "[ . 1 . 2]"
1 12 GLN 0.246 0.056 8 0 "[ . 1 . 2]"
1 13 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ARG 0.176 0.072 11 0 "[ . 1 . 2]"
1 15 GLU 0.232 0.173 11 0 "[ . 1 . 2]"
1 16 ARG 0.348 0.173 11 0 "[ . 1 . 2]"
1 17 ARG 0.023 0.012 17 0 "[ . 1 . 2]"
1 18 ARG 0.148 0.077 5 0 "[ . 1 . 2]"
1 19 TYR 0.095 0.019 8 0 "[ . 1 . 2]"
1 20 LYS 0.072 0.021 8 0 "[ . 1 . 2]"
1 21 CYS 0.030 0.012 8 0 "[ . 1 . 2]"
1 22 ASP 0.018 0.013 15 0 "[ . 1 . 2]"
1 23 GLU 0.048 0.028 15 0 "[ . 1 . 2]"
1 24 CYS 0.002 0.002 8 0 "[ . 1 . 2]"
1 25 GLY 0.022 0.021 8 0 "[ . 1 . 2]"
1 26 LYS 0.111 0.047 17 0 "[ . 1 . 2]"
1 27 SER 0.098 0.018 14 0 "[ . 1 . 2]"
1 28 PHE 0.145 0.047 17 0 "[ . 1 . 2]"
1 29 SER 0.108 0.018 5 0 "[ . 1 . 2]"
1 30 HIS 0.207 0.029 3 0 "[ . 1 . 2]"
1 31 SER 0.101 0.049 13 0 "[ . 1 . 2]"
1 32 SER 0.056 0.029 3 0 "[ . 1 . 2]"
1 33 ASP 0.104 0.017 19 0 "[ . 1 . 2]"
1 34 LEU 0.571 0.111 16 0 "[ . 1 . 2]"
1 35 SER 0.258 0.060 20 0 "[ . 1 . 2]"
1 36 LYS 0.563 0.060 20 0 "[ . 1 . 2]"
1 37 HIS 0.259 0.057 20 0 "[ . 1 . 2]"
1 38 ARG 0.719 0.111 16 0 "[ . 1 . 2]"
1 39 ARG 0.048 0.030 16 0 "[ . 1 . 2]"
1 40 THR 0.155 0.056 17 0 "[ . 1 . 2]"
1 41 HIS 0.012 0.007 3 0 "[ . 1 . 2]"
1 42 THR 0.008 0.007 3 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LYS 0.182 0.079 4 0 "[ . 1 . 2]"
1 46 PRO 0.201 0.079 4 0 "[ . 1 . 2]"
1 47 TYR 0.143 0.038 12 0 "[ . 1 . 2]"
1 48 LYS 0.089 0.034 12 0 "[ . 1 . 2]"
1 49 CYS 0.037 0.034 12 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.001 0.001 13 0 "[ . 1 . 2]"
1 52 CYS 0.024 0.014 4 0 "[ . 1 . 2]"
1 53 GLY 0.019 0.008 8 0 "[ . 1 . 2]"
1 54 LYS 0.008 0.003 9 0 "[ . 1 . 2]"
1 55 ALA 0.094 0.064 8 0 "[ . 1 . 2]"
1 56 PHE 0.023 0.011 8 0 "[ . 1 . 2]"
1 57 ILE 0.145 0.097 9 0 "[ . 1 . 2]"
1 58 GLN 0.363 0.097 9 0 "[ . 1 . 2]"
1 59 ARG 0.017 0.009 12 0 "[ . 1 . 2]"
1 60 SER 0.085 0.021 10 0 "[ . 1 . 2]"
1 61 HIS 0.138 0.060 2 0 "[ . 1 . 2]"
1 62 LEU 0.006 0.004 4 0 "[ . 1 . 2]"
1 63 ILE 0.066 0.021 10 0 "[ . 1 . 2]"
1 64 GLY 0.049 0.023 4 0 "[ . 1 . 2]"
1 65 HIS 0.065 0.015 4 0 "[ . 1 . 2]"
1 66 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ARG 0.159 0.034 20 0 "[ . 1 . 2]"
1 68 VAL 0.403 0.060 20 0 "[ . 1 . 2]"
1 69 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLY 0.030 0.016 8 0 "[ . 1 . 2]"
1 74 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 21 CYS H 1 27 SER HA . . 3.760 3.434 3.030 3.668 . 0 0 "[ . 1 . 2]" 2
2 1 20 LYS HA 1 21 CYS H . . 2.720 2.239 2.141 2.430 . 0 0 "[ . 1 . 2]" 2
3 1 21 CYS H 1 21 CYS HB3 . . 3.060 2.672 2.475 2.777 . 0 0 "[ . 1 . 2]" 2
4 1 21 CYS H 1 21 CYS HB2 . . 3.210 2.606 2.416 2.853 . 0 0 "[ . 1 . 2]" 2
5 1 20 LYS HB2 1 21 CYS H . . 4.370 4.052 3.813 4.372 0.002 16 0 "[ . 1 . 2]" 2
6 1 20 LYS HB3 1 21 CYS H . . 4.370 3.975 3.468 4.319 . 0 0 "[ . 1 . 2]" 2
7 1 20 LYS HG3 1 21 CYS H . . 3.930 2.805 2.047 3.551 . 0 0 "[ . 1 . 2]" 2
8 1 21 CYS H 1 34 LEU MD1 . . 3.830 3.333 2.868 3.828 . 0 0 "[ . 1 . 2]" 2
9 1 48 LYS HA 1 49 CYS H . . 3.050 2.202 2.140 2.281 . 0 0 "[ . 1 . 2]" 2
10 1 48 LYS QG 1 49 CYS H . . 4.120 2.531 1.926 3.415 . 0 0 "[ . 1 . 2]" 2
11 1 63 ILE HB 1 64 GLY H . . 3.940 2.422 2.119 2.877 . 0 0 "[ . 1 . 2]" 2
12 1 63 ILE H 1 64 GLY H . . 3.990 2.998 2.830 3.222 . 0 0 "[ . 1 . 2]" 2
13 1 19 TYR HA 1 20 LYS H . . 2.750 2.253 2.139 2.400 . 0 0 "[ . 1 . 2]" 2
14 1 19 TYR HB3 1 20 LYS H . . 4.030 2.977 2.455 3.974 . 0 0 "[ . 1 . 2]" 2
15 1 20 LYS H 1 20 LYS HB2 . . 3.570 3.322 2.890 3.512 . 0 0 "[ . 1 . 2]" 2
16 1 20 LYS H 1 20 LYS HB3 . . 3.570 2.867 2.669 3.115 . 0 0 "[ . 1 . 2]" 2
17 1 20 LYS H 1 34 LEU MD2 . . 3.710 3.316 2.602 3.711 0.001 4 0 "[ . 1 . 2]" 2
18 1 47 TYR HA 1 48 LYS H . . 2.890 2.197 2.137 2.311 . 0 0 "[ . 1 . 2]" 2
19 1 47 TYR HB3 1 48 LYS H . . 4.280 3.074 2.694 3.491 . 0 0 "[ . 1 . 2]" 2
20 1 48 LYS H 1 48 LYS HB2 . . 3.560 3.372 3.147 3.578 0.018 8 0 "[ . 1 . 2]" 2
21 1 48 LYS H 1 48 LYS HB3 . . 3.560 3.065 2.836 3.334 . 0 0 "[ . 1 . 2]" 2
22 1 48 LYS H 1 48 LYS QG . . 4.520 4.195 4.015 4.375 . 0 0 "[ . 1 . 2]" 2
23 1 48 LYS H 1 62 LEU MD2 . . 4.000 3.388 2.842 3.918 . 0 0 "[ . 1 . 2]" 2
24 1 54 LYS H 1 55 ALA H . . 4.800 4.495 4.346 4.587 . 0 0 "[ . 1 . 2]" 2
25 1 54 LYS HA 1 55 ALA H . . 2.690 2.280 2.163 2.423 . 0 0 "[ . 1 . 2]" 2
26 1 54 LYS HD3 1 55 ALA H . . 5.180 4.368 2.033 5.176 . 0 0 "[ . 1 . 2]" 2
27 1 54 LYS HG2 1 55 ALA H . . 4.180 2.530 1.917 3.746 . 0 0 "[ . 1 . 2]" 2
28 1 55 ALA H 1 55 ALA MB . . 2.910 2.321 2.098 2.464 . 0 0 "[ . 1 . 2]" 2
29 1 54 LYS HG3 1 55 ALA H . . 4.180 2.914 2.026 4.159 . 0 0 "[ . 1 . 2]" 2
30 1 54 LYS H 1 54 LYS HB3 . . 3.720 2.736 2.557 2.891 . 0 0 "[ . 1 . 2]" 2
31 1 21 CYS HB3 1 26 LYS H . . 3.390 2.353 1.968 2.702 . 0 0 "[ . 1 . 2]" 2
32 1 26 LYS H 1 26 LYS HB2 . . 3.630 2.453 2.187 2.693 . 0 0 "[ . 1 . 2]" 2
33 1 26 LYS H 1 26 LYS HB3 . . 3.630 3.006 2.751 3.542 . 0 0 "[ . 1 . 2]" 2
34 1 62 LEU H 1 63 ILE H . . 3.380 2.366 2.194 2.523 . 0 0 "[ . 1 . 2]" 2
35 1 62 LEU H 1 62 LEU HB3 . . 3.340 2.387 2.248 2.603 . 0 0 "[ . 1 . 2]" 2
36 1 60 SER QB 1 61 HIS H . . 4.560 2.841 2.277 3.645 . 0 0 "[ . 1 . 2]" 2
37 1 61 HIS H 1 61 HIS HB2 . . 3.970 2.575 2.333 2.789 . 0 0 "[ . 1 . 2]" 2
38 1 61 HIS H 1 61 HIS HB3 . . 3.970 3.596 3.564 3.622 . 0 0 "[ . 1 . 2]" 2
39 1 58 GLN QG 1 61 HIS H . . 4.880 4.394 2.186 4.882 0.002 11 0 "[ . 1 . 2]" 2
40 1 58 GLN HB2 1 61 HIS H . . 4.290 3.390 2.863 4.350 0.060 2 0 "[ . 1 . 2]" 2
41 1 58 GLN HB3 1 61 HIS H . . 3.890 3.151 2.496 3.894 0.004 4 0 "[ . 1 . 2]" 2
42 1 15 GLU HA 1 16 ARG H . . 3.380 2.353 2.139 3.553 0.173 11 0 "[ . 1 . 2]" 2
43 1 45 LYS H 1 45 LYS HG2 . . 4.820 4.021 2.501 4.640 . 0 0 "[ . 1 . 2]" 2
44 1 34 LEU H 1 37 HIS H . . 5.500 4.770 4.645 4.834 . 0 0 "[ . 1 . 2]" 2
45 1 33 ASP H 1 35 SER QB . . 5.480 4.905 4.725 5.094 . 0 0 "[ . 1 . 2]" 2
46 1 34 LEU H 1 35 SER QB . . 5.500 4.661 4.428 5.062 . 0 0 "[ . 1 . 2]" 2
47 1 31 SER HA 1 34 LEU H . . 3.790 3.547 3.233 3.798 0.008 19 0 "[ . 1 . 2]" 2
48 1 28 PHE HB2 1 34 LEU H . . 4.590 3.296 2.869 3.844 . 0 0 "[ . 1 . 2]" 2
49 1 28 PHE HB3 1 34 LEU H . . 4.530 3.617 3.135 4.133 . 0 0 "[ . 1 . 2]" 2
50 1 34 LEU H 1 34 LEU HB3 . . 3.130 2.359 2.216 2.526 . 0 0 "[ . 1 . 2]" 2
51 1 34 LEU H 1 34 LEU HG . . 4.550 4.373 4.236 4.491 . 0 0 "[ . 1 . 2]" 2
52 1 34 LEU H 1 34 LEU HB2 . . 3.400 2.687 2.578 2.833 . 0 0 "[ . 1 . 2]" 2
53 1 34 LEU H 1 34 LEU MD2 . . 4.340 4.165 4.033 4.252 . 0 0 "[ . 1 . 2]" 2
54 1 51 GLU H 1 52 CYS H . . 3.250 3.005 2.547 3.251 0.001 13 0 "[ . 1 . 2]" 2
55 1 51 GLU H 1 51 GLU QB . . 3.250 2.453 2.284 2.599 . 0 0 "[ . 1 . 2]" 2
56 1 65 HIS H 1 65 HIS HB3 . . 3.640 2.336 2.245 2.589 . 0 0 "[ . 1 . 2]" 2
57 1 65 HIS H 1 65 HIS HB2 . . 3.640 2.772 2.501 2.870 . 0 0 "[ . 1 . 2]" 2
58 1 23 GLU H 1 25 GLY H . . 4.380 4.253 3.291 4.376 . 0 0 "[ . 1 . 2]" 2
59 1 23 GLU H 1 24 CYS H . . 3.100 2.885 1.940 3.025 . 0 0 "[ . 1 . 2]" 2
60 1 22 ASP HB3 1 23 GLU H . . 4.390 3.612 2.718 4.354 . 0 0 "[ . 1 . 2]" 2
61 1 23 GLU H 1 23 GLU HG2 . . 4.070 3.130 1.911 4.076 0.006 15 0 "[ . 1 . 2]" 2
62 1 23 GLU H 1 23 GLU HG3 . . 4.070 3.386 1.961 3.898 . 0 0 "[ . 1 . 2]" 2
63 1 23 GLU H 1 23 GLU HB2 . . 3.650 2.404 2.220 2.667 . 0 0 "[ . 1 . 2]" 2
64 1 11 TRP H 1 11 TRP QB . . 3.790 2.594 2.135 3.220 . 0 0 "[ . 1 . 2]" 2
65 1 37 HIS HD2 1 38 ARG H . . 4.360 2.912 2.429 3.377 . 0 0 "[ . 1 . 2]" 2
66 1 35 SER HA 1 38 ARG H . . 4.150 3.850 3.569 4.162 0.012 15 0 "[ . 1 . 2]" 2
67 1 37 HIS HB3 1 38 ARG H . . 3.580 2.569 2.426 2.838 . 0 0 "[ . 1 . 2]" 2
68 1 37 HIS HB2 1 38 ARG H . . 4.120 3.909 3.820 4.098 . 0 0 "[ . 1 . 2]" 2
69 1 38 ARG H 1 38 ARG HB3 . . 3.920 3.555 3.485 3.598 . 0 0 "[ . 1 . 2]" 2
70 1 38 ARG H 1 38 ARG HB2 . . 3.260 2.369 2.175 2.965 . 0 0 "[ . 1 . 2]" 2
71 1 18 ARG H 1 19 TYR H . . 4.410 2.700 2.185 3.209 . 0 0 "[ . 1 . 2]" 2
72 1 17 ARG HB3 1 18 ARG H . . 4.810 2.636 1.968 4.077 . 0 0 "[ . 1 . 2]" 2
73 1 18 ARG H 1 18 ARG QB . . 3.870 2.322 2.129 2.549 . 0 0 "[ . 1 . 2]" 2
74 1 18 ARG H 1 18 ARG HG2 . . 4.830 3.701 2.247 4.777 . 0 0 "[ . 1 . 2]" 2
75 1 19 TYR H 1 19 TYR QD . . 3.560 2.593 1.899 3.557 . 0 0 "[ . 1 . 2]" 2
76 1 19 TYR H 1 19 TYR HB3 . . 4.040 3.702 3.561 3.899 . 0 0 "[ . 1 . 2]" 2
77 1 18 ARG QB 1 19 TYR H . . 3.730 2.329 2.126 2.616 . 0 0 "[ . 1 . 2]" 2
78 1 19 TYR H 1 19 TYR HB2 . . 3.520 2.539 2.314 2.854 . 0 0 "[ . 1 . 2]" 2
79 1 34 LEU H 1 36 LYS H . . 4.730 4.464 4.274 4.762 0.032 5 0 "[ . 1 . 2]" 2
80 1 33 ASP HA 1 36 LYS H . . 3.710 3.588 3.367 3.717 0.007 6 0 "[ . 1 . 2]" 2
81 1 35 SER QB 1 36 LYS H . . 2.950 2.449 2.214 2.644 . 0 0 "[ . 1 . 2]" 2
82 1 36 LYS H 1 36 LYS QB . . 2.770 2.378 2.171 2.509 . 0 0 "[ . 1 . 2]" 2
83 1 57 ILE H 1 57 ILE HG12 . . 4.350 3.639 2.033 4.141 . 0 0 "[ . 1 . 2]" 2
84 1 57 ILE H 1 57 ILE HG13 . . 4.350 2.745 1.970 3.833 . 0 0 "[ . 1 . 2]" 2
85 1 39 ARG HA 1 41 HIS H . . 4.660 3.834 3.527 4.547 . 0 0 "[ . 1 . 2]" 2
86 1 38 ARG HA 1 41 HIS H . . 4.140 3.668 3.454 3.829 . 0 0 "[ . 1 . 2]" 2
87 1 41 HIS H 1 41 HIS HB3 . . 4.050 3.609 3.559 3.725 . 0 0 "[ . 1 . 2]" 2
88 1 41 HIS H 1 41 HIS HB2 . . 4.050 2.484 2.292 2.672 . 0 0 "[ . 1 . 2]" 2
89 1 37 HIS H 1 38 ARG H . . 3.330 2.843 2.592 3.068 . 0 0 "[ . 1 . 2]" 2
90 1 37 HIS H 1 37 HIS HB3 . . 3.090 2.233 2.177 2.316 . 0 0 "[ . 1 . 2]" 2
91 1 37 HIS H 1 37 HIS HB2 . . 3.270 2.889 2.764 3.010 . 0 0 "[ . 1 . 2]" 2
92 1 34 LEU HA 1 37 HIS H . . 3.810 3.314 3.149 3.572 . 0 0 "[ . 1 . 2]" 2
93 1 28 PHE H 1 28 PHE QD . . 3.190 2.546 2.275 2.909 . 0 0 "[ . 1 . 2]" 2
94 1 27 SER HA 1 28 PHE H . . 2.840 2.270 2.170 2.512 . 0 0 "[ . 1 . 2]" 2
95 1 20 LYS HA 1 28 PHE H . . 3.910 3.646 3.377 3.918 0.008 18 0 "[ . 1 . 2]" 2
96 1 27 SER QB 1 28 PHE H . . 3.200 2.800 2.386 3.142 . 0 0 "[ . 1 . 2]" 2
97 1 19 TYR HB2 1 28 PHE H . . 4.060 3.260 2.837 3.652 . 0 0 "[ . 1 . 2]" 2
98 1 28 PHE H 1 28 PHE HB2 . . 3.390 2.826 2.678 3.065 . 0 0 "[ . 1 . 2]" 2
99 1 60 SER HA 1 63 ILE H . . 4.400 3.125 2.781 3.483 . 0 0 "[ . 1 . 2]" 2
100 1 62 LEU HB3 1 63 ILE H . . 3.650 2.606 2.357 2.851 . 0 0 "[ . 1 . 2]" 2
101 1 63 ILE H 1 63 ILE HB . . 3.260 2.641 2.563 2.703 . 0 0 "[ . 1 . 2]" 2
102 1 63 ILE H 1 63 ILE HG12 . . 3.600 2.886 1.947 3.277 . 0 0 "[ . 1 . 2]" 2
103 1 63 ILE H 1 63 ILE HG13 . . 3.600 2.370 1.898 3.562 . 0 0 "[ . 1 . 2]" 2
104 1 63 ILE H 1 63 ILE MG . . 4.050 3.771 3.764 3.783 . 0 0 "[ . 1 . 2]" 2
105 1 47 TYR H 1 47 TYR QD . . 3.630 2.905 2.521 3.234 . 0 0 "[ . 1 . 2]" 2
106 1 46 PRO HD2 1 47 TYR H . . 4.300 2.956 2.836 3.054 . 0 0 "[ . 1 . 2]" 2
107 1 47 TYR H 1 47 TYR HB3 . . 3.990 3.831 3.713 3.960 . 0 0 "[ . 1 . 2]" 2
108 1 47 TYR H 1 47 TYR HB2 . . 3.390 2.774 2.640 2.983 . 0 0 "[ . 1 . 2]" 2
109 1 47 TYR H 1 55 ALA MB . . 5.390 4.469 4.200 4.957 . 0 0 "[ . 1 . 2]" 2
110 1 30 HIS H 1 33 ASP H . . 5.050 4.597 4.258 5.039 . 0 0 "[ . 1 . 2]" 2
111 1 30 HIS H 1 34 LEU H . . 5.500 4.801 4.597 4.969 . 0 0 "[ . 1 . 2]" 2
112 1 29 SER HB2 1 30 HIS H . . 4.400 2.626 2.513 2.796 . 0 0 "[ . 1 . 2]" 2
113 1 28 PHE HB3 1 30 HIS H . . 3.400 3.058 2.880 3.273 . 0 0 "[ . 1 . 2]" 2
114 1 30 HIS H 1 30 HIS HB3 . . 3.920 2.895 2.859 2.993 . 0 0 "[ . 1 . 2]" 2
115 1 30 HIS H 1 30 HIS HB2 . . 3.640 2.566 2.463 2.659 . 0 0 "[ . 1 . 2]" 2
116 1 28 PHE HB2 1 30 HIS H . . 3.910 3.842 3.655 3.922 0.012 19 0 "[ . 1 . 2]" 2
117 1 66 HIS H 1 67 ARG H . . 4.160 2.935 2.718 3.263 . 0 0 "[ . 1 . 2]" 2
118 1 66 HIS H 1 66 HIS HB3 . . 3.660 3.575 3.540 3.615 . 0 0 "[ . 1 . 2]" 2
119 1 66 HIS H 1 66 HIS HB2 . . 4.110 2.343 2.259 2.588 . 0 0 "[ . 1 . 2]" 2
120 1 47 TYR H 1 56 PHE H . . 3.920 3.745 3.486 3.924 0.004 15 0 "[ . 1 . 2]" 2
121 1 56 PHE H 1 56 PHE QD . . 3.380 2.741 2.349 3.257 . 0 0 "[ . 1 . 2]" 2
122 1 55 ALA HA 1 56 PHE H . . 2.910 2.289 2.186 2.447 . 0 0 "[ . 1 . 2]" 2
123 1 48 LYS HA 1 56 PHE H . . 4.010 3.420 3.108 3.670 . 0 0 "[ . 1 . 2]" 2
124 1 47 TYR HB2 1 56 PHE H . . 4.120 2.983 2.691 3.367 . 0 0 "[ . 1 . 2]" 2
125 1 56 PHE H 1 56 PHE HB2 . . 3.510 2.895 2.660 3.077 . 0 0 "[ . 1 . 2]" 2
126 1 55 ALA MB 1 56 PHE H . . 3.320 2.696 2.288 3.016 . 0 0 "[ . 1 . 2]" 2
127 1 68 VAL H 1 69 HIS H . . 3.870 2.682 2.063 3.081 . 0 0 "[ . 1 . 2]" 2
128 1 67 ARG QB 1 68 VAL H . . 3.740 3.101 2.269 3.774 0.034 20 0 "[ . 1 . 2]" 2
129 1 38 ARG H 1 39 ARG H . . 3.400 2.916 2.650 3.101 . 0 0 "[ . 1 . 2]" 2
130 1 38 ARG HB3 1 39 ARG H . . 3.970 3.500 3.165 3.985 0.015 19 0 "[ . 1 . 2]" 2
131 1 38 ARG HB2 1 39 ARG H . . 3.600 2.947 2.680 3.201 . 0 0 "[ . 1 . 2]" 2
132 1 39 ARG H 1 39 ARG HB3 . . 3.780 3.593 3.575 3.611 . 0 0 "[ . 1 . 2]" 2
133 1 39 ARG H 1 39 ARG HG3 . . 3.750 2.419 2.069 3.440 . 0 0 "[ . 1 . 2]" 2
134 1 39 ARG H 1 39 ARG HG2 . . 3.750 2.984 1.898 3.619 . 0 0 "[ . 1 . 2]" 2
135 1 52 CYS H 1 52 CYS HB3 . . 4.150 2.763 2.532 2.961 . 0 0 "[ . 1 . 2]" 2
136 1 51 GLU QB 1 52 CYS H . . 3.630 2.284 2.115 2.942 . 0 0 "[ . 1 . 2]" 2
137 1 26 LYS HA 1 27 SER H . . 2.620 2.377 2.269 2.498 . 0 0 "[ . 1 . 2]" 2
138 1 26 LYS HB2 1 27 SER H . . 4.120 3.996 3.736 4.128 0.008 6 0 "[ . 1 . 2]" 2
139 1 26 LYS HB3 1 27 SER H . . 4.120 3.130 2.287 3.485 . 0 0 "[ . 1 . 2]" 2
140 1 26 LYS HG3 1 27 SER H . . 4.210 3.097 1.888 4.214 0.004 2 0 "[ . 1 . 2]" 2
141 1 26 LYS HG2 1 27 SER H . . 4.210 2.586 1.923 3.888 . 0 0 "[ . 1 . 2]" 2
142 1 35 SER H 1 36 LYS H . . 3.400 2.886 2.719 3.075 . 0 0 "[ . 1 . 2]" 2
143 1 34 LEU H 1 35 SER H . . 3.180 2.913 2.735 3.179 . 0 0 "[ . 1 . 2]" 2
144 1 32 SER HA 1 35 SER H . . 3.950 3.723 3.490 3.932 . 0 0 "[ . 1 . 2]" 2
145 1 35 SER H 1 35 SER QB . . 3.060 2.311 2.235 2.549 . 0 0 "[ . 1 . 2]" 2
146 1 34 LEU HB3 1 35 SER H . . 3.380 2.595 2.348 2.803 . 0 0 "[ . 1 . 2]" 2
147 1 34 LEU HG 1 35 SER H . . 4.210 3.224 2.452 3.553 . 0 0 "[ . 1 . 2]" 2
148 1 34 LEU HB2 1 35 SER H . . 4.130 3.946 3.773 4.085 . 0 0 "[ . 1 . 2]" 2
149 1 34 LEU MD2 1 35 SER H . . 4.270 3.919 3.217 4.242 . 0 0 "[ . 1 . 2]" 2
150 1 24 CYS H 1 25 GLY HA2 . . 4.680 4.283 4.133 4.469 . 0 0 "[ . 1 . 2]" 2
151 1 21 CYS HB3 1 24 CYS H . . 4.040 3.105 2.940 3.592 . 0 0 "[ . 1 . 2]" 2
152 1 23 GLU HB2 1 24 CYS H . . 3.600 2.485 2.242 2.729 . 0 0 "[ . 1 . 2]" 2
153 1 23 GLU HB3 1 24 CYS H . . 3.600 3.226 2.930 3.491 . 0 0 "[ . 1 . 2]" 2
154 1 57 ILE H 1 58 GLN H . . 3.870 2.645 2.343 3.052 . 0 0 "[ . 1 . 2]" 2
155 1 56 PHE HB3 1 58 GLN H . . 3.950 3.682 3.416 3.944 . 0 0 "[ . 1 . 2]" 2
156 1 58 GLN H 1 58 GLN QG . . 3.990 3.081 2.446 4.084 0.094 9 0 "[ . 1 . 2]" 2
157 1 57 ILE HB 1 58 GLN H . . 3.970 2.326 1.923 2.916 . 0 0 "[ . 1 . 2]" 2
158 1 58 GLN H 1 58 GLN HB3 . . 3.940 3.399 2.328 3.677 . 0 0 "[ . 1 . 2]" 2
159 1 49 CYS HB3 1 53 GLY H . . 3.970 2.698 2.162 3.084 . 0 0 "[ . 1 . 2]" 2
160 1 21 CYS HB3 1 25 GLY H . . 3.850 2.687 2.482 2.955 . 0 0 "[ . 1 . 2]" 2
161 1 40 THR H 1 41 HIS H . . 3.240 2.890 2.703 3.125 . 0 0 "[ . 1 . 2]" 2
162 1 39 ARG H 1 40 THR H . . 3.300 2.870 2.689 3.076 . 0 0 "[ . 1 . 2]" 2
163 1 37 HIS HA 1 40 THR H . . 4.090 3.541 3.326 3.748 . 0 0 "[ . 1 . 2]" 2
164 1 40 THR H 1 40 THR HB . . 3.780 2.814 2.282 3.641 . 0 0 "[ . 1 . 2]" 2
165 1 38 ARG HA 1 40 THR H . . 4.430 4.297 4.080 4.464 0.034 17 0 "[ . 1 . 2]" 2
166 1 40 THR H 1 40 THR MG . . 3.080 2.308 1.883 2.688 . 0 0 "[ . 1 . 2]" 2
167 1 24 CYS H 1 25 GLY H . . 2.870 2.170 2.061 2.333 . 0 0 "[ . 1 . 2]" 2
168 1 64 GLY H 1 65 HIS H . . 3.890 2.624 2.429 2.825 . 0 0 "[ . 1 . 2]" 2
169 1 50 ASP H 1 51 GLU H . . 4.320 2.292 2.004 2.814 . 0 0 "[ . 1 . 2]" 2
170 1 19 TYR H 1 19 TYR QE . . 5.150 4.716 4.262 5.136 . 0 0 "[ . 1 . 2]" 2
171 1 19 TYR H 1 34 LEU MD2 . . 5.300 5.073 4.528 5.277 . 0 0 "[ . 1 . 2]" 2
172 1 19 TYR QD 1 20 LYS H . . 4.700 4.128 3.717 4.704 0.004 3 0 "[ . 1 . 2]" 2
173 1 21 CYS H 1 28 PHE QE . . 4.400 3.744 3.091 4.312 . 0 0 "[ . 1 . 2]" 2
174 1 21 CYS H 1 28 PHE QD . . 4.820 4.216 3.500 4.810 . 0 0 "[ . 1 . 2]" 2
175 1 21 CYS HB3 1 23 GLU H . . 4.530 4.110 3.416 4.435 . 0 0 "[ . 1 . 2]" 2
176 1 21 CYS H 1 26 LYS H . . 4.430 3.111 2.703 3.481 . 0 0 "[ . 1 . 2]" 2
177 1 19 TYR H 1 28 PHE H . . 4.160 3.921 3.535 4.160 . 0 0 "[ . 1 . 2]" 2
178 1 27 SER H 1 28 PHE H . . 4.640 4.408 4.261 4.476 . 0 0 "[ . 1 . 2]" 2
179 1 28 PHE H 1 28 PHE QE . . 4.940 4.647 4.421 4.936 . 0 0 "[ . 1 . 2]" 2
180 1 28 PHE QD 1 30 HIS H . . 5.040 4.796 4.592 5.055 0.015 17 0 "[ . 1 . 2]" 2
181 1 30 HIS H 1 30 HIS HD2 . . 5.090 4.943 4.719 5.080 . 0 0 "[ . 1 . 2]" 2
182 1 36 LYS H 1 37 HIS HB3 . . 4.970 4.524 4.393 4.632 . 0 0 "[ . 1 . 2]" 2
183 1 36 LYS H 1 38 ARG H . . 4.720 4.497 4.281 4.756 0.036 20 0 "[ . 1 . 2]" 2
184 1 32 SER HA 1 36 LYS H . . 4.880 4.672 4.389 4.886 0.006 5 0 "[ . 1 . 2]" 2
185 1 34 LEU MD1 1 37 HIS H . . 4.780 4.412 4.067 4.769 . 0 0 "[ . 1 . 2]" 2
186 1 37 HIS H 1 40 THR MG . . 5.500 5.284 4.857 5.505 0.005 17 0 "[ . 1 . 2]" 2
187 1 34 LEU HG 1 37 HIS H . . 5.390 5.032 4.594 5.350 . 0 0 "[ . 1 . 2]" 2
188 1 36 LYS HA 1 39 ARG H . . 4.290 3.738 3.468 3.908 . 0 0 "[ . 1 . 2]" 2
189 1 38 ARG H 1 40 THR H . . 4.870 4.634 4.314 4.744 . 0 0 "[ . 1 . 2]" 2
190 1 41 HIS H 1 41 HIS HD2 . . 4.400 3.389 2.528 3.891 . 0 0 "[ . 1 . 2]" 2
191 1 40 THR MG 1 41 HIS H . . 4.720 2.616 1.818 3.906 . 0 0 "[ . 1 . 2]" 2
192 1 45 LYS H 1 45 LYS HG3 . . 4.820 3.410 2.121 4.204 . 0 0 "[ . 1 . 2]" 2
193 1 45 LYS H 1 55 ALA MB . . 5.160 4.229 3.159 5.169 0.009 4 0 "[ . 1 . 2]" 2
194 1 45 LYS H 1 45 LYS QD . . 5.160 3.046 1.795 4.600 . 0 0 "[ . 1 . 2]" 2
195 1 46 PRO HB2 1 47 TYR H . . 4.560 3.905 3.792 3.982 . 0 0 "[ . 1 . 2]" 2
196 1 47 TYR QD 1 48 LYS H . . 4.490 4.209 4.048 4.484 . 0 0 "[ . 1 . 2]" 2
197 1 47 TYR H 1 48 LYS H . . 4.720 4.372 4.160 4.505 . 0 0 "[ . 1 . 2]" 2
198 1 48 LYS HB3 1 49 CYS H . . 5.060 4.013 3.564 4.345 . 0 0 "[ . 1 . 2]" 2
199 1 49 CYS H 1 56 PHE QE . . 4.790 2.844 1.987 3.738 . 0 0 "[ . 1 . 2]" 2
200 1 51 GLU H 1 51 GLU HG3 . . 4.490 3.295 2.197 3.920 . 0 0 "[ . 1 . 2]" 2
201 1 50 ASP QB 1 51 GLU H . . 4.310 2.639 2.235 3.384 . 0 0 "[ . 1 . 2]" 2
202 1 49 CYS HB3 1 51 GLU H . . 4.980 4.623 4.047 4.969 . 0 0 "[ . 1 . 2]" 2
203 1 51 GLU H 1 53 GLY H . . 4.670 4.178 3.914 4.541 . 0 0 "[ . 1 . 2]" 2
204 1 49 CYS HB2 1 53 GLY H . . 4.980 4.355 3.904 4.644 . 0 0 "[ . 1 . 2]" 2
205 1 56 PHE HB2 1 58 GLN H . . 4.640 4.522 4.325 4.651 0.011 8 0 "[ . 1 . 2]" 2
206 1 58 GLN HB3 1 59 ARG H . . 5.090 2.757 2.083 4.050 . 0 0 "[ . 1 . 2]" 2
207 1 59 ARG HA 1 62 LEU H . . 4.220 3.599 3.348 3.972 . 0 0 "[ . 1 . 2]" 2
208 1 66 HIS HB2 1 67 ARG H . . 5.170 2.890 2.430 3.186 . 0 0 "[ . 1 . 2]" 2
209 1 22 ASP H 1 23 GLU H . . 4.960 2.784 2.058 3.218 . 0 0 "[ . 1 . 2]" 2
210 1 21 CYS HA 1 23 GLU H . . 4.370 3.478 3.236 3.941 . 0 0 "[ . 1 . 2]" 2
211 1 22 ASP HB2 1 23 GLU H . . 4.390 3.482 2.741 4.319 . 0 0 "[ . 1 . 2]" 2
212 1 21 CYS HB2 1 23 GLU H . . 4.990 4.856 4.592 4.982 . 0 0 "[ . 1 . 2]" 2
213 1 17 ARG HB2 1 18 ARG H . . 4.810 3.604 2.811 4.171 . 0 0 "[ . 1 . 2]" 2
214 1 25 GLY H 1 26 LYS H . . 3.810 1.909 1.790 2.084 . 0 0 "[ . 1 . 2]" 2
215 1 50 ASP HA 1 53 GLY H . . 4.930 3.948 3.622 4.237 . 0 0 "[ . 1 . 2]" 2
216 1 53 GLY H 1 54 LYS H . . 3.680 2.298 1.990 2.625 . 0 0 "[ . 1 . 2]" 2
217 1 49 CYS H 1 54 LYS H . . 4.540 3.019 2.451 3.507 . 0 0 "[ . 1 . 2]" 2
218 1 49 CYS HB3 1 54 LYS H . . 3.530 2.378 1.894 2.728 . 0 0 "[ . 1 . 2]" 2
219 1 54 LYS H 1 54 LYS HB2 . . 3.720 2.821 2.435 3.197 . 0 0 "[ . 1 . 2]" 2
220 1 63 ILE HB 1 64 GLY QA . . 4.610 3.841 3.763 3.988 . 0 0 "[ . 1 . 2]" 2
221 1 64 GLY QA 1 67 ARG QG . . 4.920 3.923 2.638 4.943 0.023 4 0 "[ . 1 . 2]" 2
222 1 64 GLY QA 1 66 HIS HB2 . . 4.830 4.192 3.932 4.391 . 0 0 "[ . 1 . 2]" 2
223 1 20 LYS HG3 1 25 GLY HA3 . . 5.350 5.015 4.577 5.349 . 0 0 "[ . 1 . 2]" 2
224 1 20 LYS HG2 1 25 GLY HA2 . . 4.450 3.301 2.701 3.830 . 0 0 "[ . 1 . 2]" 2
225 1 57 ILE HA 1 57 ILE MD . . 4.170 3.504 2.040 4.154 . 0 0 "[ . 1 . 2]" 2
226 1 57 ILE HB 1 57 ILE MD . . 3.510 2.253 2.085 3.227 . 0 0 "[ . 1 . 2]" 2
227 1 73 GLY HA3 1 74 PRO QD . . 3.640 2.376 1.874 3.447 . 0 0 "[ . 1 . 2]" 2
228 1 56 PHE HB3 1 57 ILE H . . 4.300 2.992 2.213 3.847 . 0 0 "[ . 1 . 2]" 2
229 1 56 PHE HB2 1 57 ILE H . . 4.660 3.836 3.219 4.391 . 0 0 "[ . 1 . 2]" 2
230 1 47 TYR HB2 1 56 PHE HB2 . . 3.860 2.554 2.012 2.897 . 0 0 "[ . 1 . 2]" 2
231 1 63 ILE H 1 63 ILE MD . . 4.260 3.402 2.800 3.726 . 0 0 "[ . 1 . 2]" 2
232 1 60 SER HA 1 63 ILE MD . . 3.750 2.544 1.901 3.715 . 0 0 "[ . 1 . 2]" 2
233 1 63 ILE HB 1 63 ILE MD . . 3.560 2.615 2.318 3.230 . 0 0 "[ . 1 . 2]" 2
234 1 28 PHE HB3 1 33 ASP HB2 . . 3.910 2.911 2.196 3.331 . 0 0 "[ . 1 . 2]" 2
235 1 28 PHE HB3 1 34 LEU HB2 . . 4.730 3.902 3.736 3.995 . 0 0 "[ . 1 . 2]" 2
236 1 28 PHE HB3 1 34 LEU MD2 . . 5.500 5.461 5.353 5.507 0.007 20 0 "[ . 1 . 2]" 2
237 1 28 PHE HB3 1 34 LEU MD1 . . 5.500 4.999 4.771 5.434 . 0 0 "[ . 1 . 2]" 2
238 1 47 TYR QD 1 56 PHE HB2 . . 4.430 3.931 3.469 4.402 . 0 0 "[ . 1 . 2]" 2
239 1 19 TYR HB3 1 28 PHE HB2 . . 4.770 4.280 3.186 4.773 0.003 18 0 "[ . 1 . 2]" 2
240 1 28 PHE HB2 1 34 LEU HB2 . . 3.990 2.540 2.273 2.717 . 0 0 "[ . 1 . 2]" 2
241 1 35 SER HA 1 38 ARG HD2 . . 4.700 4.309 3.682 4.712 0.012 15 0 "[ . 1 . 2]" 2
242 1 38 ARG HA 1 38 ARG HD2 . . 4.390 3.663 2.780 4.496 0.106 18 0 "[ . 1 . 2]" 2
243 1 38 ARG HB2 1 38 ARG HD2 . . 3.760 3.318 2.724 3.630 . 0 0 "[ . 1 . 2]" 2
244 1 34 LEU HG 1 38 ARG HD2 . . 4.110 3.124 2.532 4.192 0.082 16 0 "[ . 1 . 2]" 2
245 1 35 SER HA 1 38 ARG HD3 . . 4.700 3.341 2.313 4.739 0.039 16 0 "[ . 1 . 2]" 2
246 1 38 ARG HA 1 38 ARG HD3 . . 4.390 3.473 2.922 4.262 . 0 0 "[ . 1 . 2]" 2
247 1 38 ARG HB2 1 38 ARG HD3 . . 3.760 2.534 2.057 3.731 . 0 0 "[ . 1 . 2]" 2
248 1 34 LEU HG 1 38 ARG HD3 . . 4.110 2.900 2.303 4.177 0.067 16 0 "[ . 1 . 2]" 2
249 1 39 ARG H 1 39 ARG QD . . 4.330 3.838 3.355 4.295 . 0 0 "[ . 1 . 2]" 2
250 1 36 LYS HA 1 39 ARG QD . . 3.660 2.903 2.155 3.654 . 0 0 "[ . 1 . 2]" 2
251 1 67 ARG QB 1 67 ARG QD . . 3.080 2.216 2.075 2.705 . 0 0 "[ . 1 . 2]" 2
252 1 14 ARG HA 1 14 ARG QD . . 4.190 3.602 1.992 4.262 0.072 11 0 "[ . 1 . 2]" 2
253 1 17 ARG HA 1 17 ARG HD2 . . 5.030 3.646 2.122 5.028 . 0 0 "[ . 1 . 2]" 2
254 1 17 ARG HD2 1 27 SER QB . . 4.890 3.598 2.012 4.621 . 0 0 "[ . 1 . 2]" 2
255 1 17 ARG HA 1 17 ARG HD3 . . 5.030 3.729 2.303 4.781 . 0 0 "[ . 1 . 2]" 2
256 1 59 ARG QD 1 63 ILE MD . . 4.280 3.178 1.830 4.134 . 0 0 "[ . 1 . 2]" 2
257 1 47 TYR QD 1 59 ARG QD . . 5.090 4.072 2.501 5.099 0.009 12 0 "[ . 1 . 2]" 2
258 1 18 ARG HA 1 18 ARG QD . . 3.860 2.925 2.002 3.937 0.077 5 0 "[ . 1 . 2]" 2
259 1 18 ARG QB 1 18 ARG QD . . 3.230 2.221 2.016 2.620 . 0 0 "[ . 1 . 2]" 2
260 1 47 TYR QE 1 59 ARG QD . . 4.380 2.948 2.109 4.149 . 0 0 "[ . 1 . 2]" 2
261 1 45 LYS QE 1 45 LYS HG2 . . 3.470 2.594 2.065 3.318 . 0 0 "[ . 1 . 2]" 2
262 1 45 LYS QE 1 45 LYS HG3 . . 3.470 2.676 2.237 3.420 . 0 0 "[ . 1 . 2]" 2
263 1 48 LYS QE 1 48 LYS QG . . 3.360 2.189 2.011 2.356 . 0 0 "[ . 1 . 2]" 2
264 1 33 ASP HA 1 36 LYS QE . . 4.270 3.313 2.058 4.248 . 0 0 "[ . 1 . 2]" 2
265 1 36 LYS QB 1 36 LYS QE . . 3.670 3.242 2.272 3.637 . 0 0 "[ . 1 . 2]" 2
266 1 20 LYS QE 1 25 GLY HA3 . . 4.170 3.265 2.773 3.638 . 0 0 "[ . 1 . 2]" 2
267 1 20 LYS QE 1 25 GLY H . . 4.920 4.391 4.151 4.730 . 0 0 "[ . 1 . 2]" 2
268 1 20 LYS QE 1 22 ASP HA . . 4.250 3.684 2.588 4.252 0.002 3 0 "[ . 1 . 2]" 2
269 1 20 LYS QE 1 25 GLY HA2 . . 3.720 2.222 1.983 2.567 . 0 0 "[ . 1 . 2]" 2
270 1 20 LYS QE 1 27 SER QB . . 5.040 4.501 3.580 5.023 . 0 0 "[ . 1 . 2]" 2
271 1 20 LYS QE 1 20 LYS HG2 . . 3.470 2.439 2.212 2.657 . 0 0 "[ . 1 . 2]" 2
272 1 28 PHE QD 1 33 ASP HB2 . . 3.940 3.526 2.627 3.936 . 0 0 "[ . 1 . 2]" 2
273 1 33 ASP H 1 33 ASP HB2 . . 4.140 2.426 2.185 2.760 . 0 0 "[ . 1 . 2]" 2
274 1 33 ASP HB2 1 34 LEU H . . 4.320 2.378 2.196 2.721 . 0 0 "[ . 1 . 2]" 2
275 1 28 PHE QD 1 33 ASP HB3 . . 3.940 2.902 2.243 3.454 . 0 0 "[ . 1 . 2]" 2
276 1 33 ASP H 1 33 ASP HB3 . . 4.140 3.575 3.494 3.606 . 0 0 "[ . 1 . 2]" 2
277 1 33 ASP HB3 1 34 LEU H . . 4.320 3.219 2.892 3.579 . 0 0 "[ . 1 . 2]" 2
278 1 28 PHE HB3 1 33 ASP HB3 . . 3.910 3.514 3.073 3.909 . 0 0 "[ . 1 . 2]" 2
279 1 47 TYR HB3 1 62 LEU HB3 . . 4.470 3.745 3.127 4.115 . 0 0 "[ . 1 . 2]" 2
280 1 47 TYR HB2 1 62 LEU HB3 . . 5.130 4.706 4.104 5.065 . 0 0 "[ . 1 . 2]" 2
281 1 56 PHE HB2 1 62 LEU HB3 . . 5.020 4.204 3.590 5.019 . 0 0 "[ . 1 . 2]" 2
282 1 62 LEU HB2 1 63 ILE H . . 4.680 3.916 3.671 4.109 . 0 0 "[ . 1 . 2]" 2
283 1 62 LEU H 1 62 LEU HB2 . . 4.010 2.804 2.478 3.071 . 0 0 "[ . 1 . 2]" 2
284 1 56 PHE HB2 1 62 LEU HB2 . . 4.600 2.953 2.513 3.488 . 0 0 "[ . 1 . 2]" 2
285 1 28 PHE QD 1 34 LEU HB3 . . 4.590 4.257 3.940 4.484 . 0 0 "[ . 1 . 2]" 2
286 1 19 TYR HB3 1 34 LEU HB3 . . 4.490 3.953 2.868 4.292 . 0 0 "[ . 1 . 2]" 2
287 1 19 TYR HB2 1 34 LEU HB3 . . 4.630 4.481 4.237 4.636 0.006 4 0 "[ . 1 . 2]" 2
288 1 28 PHE HB2 1 34 LEU HB3 . . 4.610 3.745 3.386 4.096 . 0 0 "[ . 1 . 2]" 2
289 1 34 LEU HB3 1 34 LEU MD2 . . 3.290 2.264 2.083 2.370 . 0 0 "[ . 1 . 2]" 2
290 1 57 ILE H 1 57 ILE HB . . 3.880 2.585 2.427 3.473 . 0 0 "[ . 1 . 2]" 2
291 1 57 ILE HB 1 58 GLN HB2 . . 4.200 4.043 3.692 4.208 0.008 10 0 "[ . 1 . 2]" 2
292 1 19 TYR HB2 1 27 SER QB . . 5.500 5.070 4.570 5.486 . 0 0 "[ . 1 . 2]" 2
293 1 19 TYR HB2 1 28 PHE HB3 . . 5.500 5.047 4.472 5.415 . 0 0 "[ . 1 . 2]" 2
294 1 19 TYR HB2 1 34 LEU HB2 . . 4.330 3.939 3.498 4.195 . 0 0 "[ . 1 . 2]" 2
295 1 19 TYR HB3 1 34 LEU HB2 . . 4.170 3.635 2.894 4.043 . 0 0 "[ . 1 . 2]" 2
296 1 47 TYR HB2 1 62 LEU HB2 . . 4.570 3.906 3.592 4.309 . 0 0 "[ . 1 . 2]" 2
297 1 47 TYR HB3 1 56 PHE HB2 . . 4.290 3.396 2.808 3.934 . 0 0 "[ . 1 . 2]" 2
298 1 47 TYR HB3 1 62 LEU HB2 . . 4.340 3.218 2.808 3.613 . 0 0 "[ . 1 . 2]" 2
299 1 47 TYR HB3 1 62 LEU MD2 . . 3.710 2.346 1.997 2.645 . 0 0 "[ . 1 . 2]" 2
300 1 40 THR HB 1 41 HIS H . . 5.020 3.922 3.284 4.182 . 0 0 "[ . 1 . 2]" 2
301 1 40 THR HA 1 40 THR HB . . 2.940 2.471 2.398 2.590 . 0 0 "[ . 1 . 2]" 2
302 1 10 GLU HA 1 10 GLU HG2 . . 4.230 3.422 2.487 4.219 . 0 0 "[ . 1 . 2]" 2
303 1 51 GLU H 1 51 GLU HG2 . . 4.490 2.660 1.924 3.942 . 0 0 "[ . 1 . 2]" 2
304 1 48 LYS HB2 1 49 CYS H . . 5.060 4.174 3.785 4.536 . 0 0 "[ . 1 . 2]" 2
305 1 48 LYS HB2 1 55 ALA HA . . 5.240 3.177 2.354 3.803 . 0 0 "[ . 1 . 2]" 2
306 1 48 LYS HB3 1 55 ALA HA . . 5.240 4.453 3.915 4.982 . 0 0 "[ . 1 . 2]" 2
307 1 20 LYS HB3 1 27 SER QB . . 4.680 4.590 4.186 4.686 0.006 20 0 "[ . 1 . 2]" 2
308 1 21 CYS H 1 27 SER QB . . 4.690 4.520 4.283 4.692 0.002 1 0 "[ . 1 . 2]" 2
309 1 27 SER H 1 27 SER QB . . 3.190 3.045 2.476 3.208 0.018 14 0 "[ . 1 . 2]" 2
310 1 27 SER QB 1 28 PHE QD . . 4.720 4.429 4.110 4.622 . 0 0 "[ . 1 . 2]" 2
311 1 20 LYS HA 1 27 SER QB . . 3.540 3.205 2.990 3.447 . 0 0 "[ . 1 . 2]" 2
312 1 26 LYS HA 1 27 SER QB . . 4.340 4.251 3.991 4.347 0.007 14 0 "[ . 1 . 2]" 2
313 1 17 ARG HD3 1 27 SER QB . . 4.890 3.225 2.064 4.599 . 0 0 "[ . 1 . 2]" 2
314 1 20 LYS HB2 1 27 SER QB . . 4.680 3.103 2.628 3.281 . 0 0 "[ . 1 . 2]" 2
315 1 20 LYS QD 1 27 SER QB . . 3.910 3.606 3.041 3.907 . 0 0 "[ . 1 . 2]" 2
316 1 20 LYS HG3 1 27 SER QB . . 3.980 3.049 2.462 3.317 . 0 0 "[ . 1 . 2]" 2
317 1 26 LYS HB2 1 28 PHE QE . . 4.350 3.751 2.682 4.305 . 0 0 "[ . 1 . 2]" 2
318 1 26 LYS HB3 1 28 PHE QE . . 4.350 2.424 2.017 2.904 . 0 0 "[ . 1 . 2]" 2
319 1 30 HIS HB2 1 33 ASP H . . 4.430 4.299 4.077 4.431 0.001 13 0 "[ . 1 . 2]" 2
320 1 30 HIS HB3 1 33 ASP H . . 4.270 2.557 2.412 2.680 . 0 0 "[ . 1 . 2]" 2
321 1 58 GLN QG 1 61 HIS HD2 . . 4.440 4.058 2.723 4.442 0.002 11 0 "[ . 1 . 2]" 2
322 1 58 GLN HA 1 58 GLN QG . . 3.850 2.692 2.179 2.983 . 0 0 "[ . 1 . 2]" 2
323 1 54 LYS HB2 1 55 ALA H . . 4.600 4.069 3.886 4.195 . 0 0 "[ . 1 . 2]" 2
324 1 54 LYS HB3 1 55 ALA H . . 4.600 3.694 3.190 4.209 . 0 0 "[ . 1 . 2]" 2
325 1 54 LYS HB3 1 56 PHE HZ . . 4.680 2.519 2.008 2.945 . 0 0 "[ . 1 . 2]" 2
326 1 52 CYS H 1 52 CYS HB2 . . 4.150 3.645 3.571 3.754 . 0 0 "[ . 1 . 2]" 2
327 1 36 LYS QB 1 37 HIS H . . 3.380 2.768 2.394 3.437 0.057 20 0 "[ . 1 . 2]" 2
328 1 46 PRO HB3 1 47 TYR H . . 4.560 4.470 4.407 4.514 . 0 0 "[ . 1 . 2]" 2
329 1 63 ILE HA 1 66 HIS HB2 . . 4.380 3.730 3.267 4.246 . 0 0 "[ . 1 . 2]" 2
330 1 63 ILE HA 1 66 HIS H . . 4.620 4.124 3.959 4.273 . 0 0 "[ . 1 . 2]" 2
331 1 63 ILE HA 1 63 ILE HG12 . . 3.810 2.654 2.383 3.170 . 0 0 "[ . 1 . 2]" 2
332 1 62 LEU HG 1 63 ILE HA . . 4.560 3.635 3.122 4.297 . 0 0 "[ . 1 . 2]" 2
333 1 63 ILE HA 1 63 ILE HG13 . . 3.810 3.194 2.890 3.726 . 0 0 "[ . 1 . 2]" 2
334 1 63 ILE HA 1 63 ILE MD . . 3.890 3.376 2.006 3.859 . 0 0 "[ . 1 . 2]" 2
335 1 29 SER HB3 1 30 HIS H . . 4.400 3.731 3.622 3.873 . 0 0 "[ . 1 . 2]" 2
336 1 40 THR HA 1 40 THR MG . . 3.260 2.939 2.146 3.197 . 0 0 "[ . 1 . 2]" 2
337 1 56 PHE QD 1 61 HIS HB2 . . 4.430 3.327 2.741 4.032 . 0 0 "[ . 1 . 2]" 2
338 1 46 PRO HA 1 47 TYR H . . 3.350 3.331 3.286 3.388 0.038 12 0 "[ . 1 . 2]" 2
339 1 45 LYS HA 1 57 ILE HA . . 3.820 3.497 2.372 3.827 0.007 10 0 "[ . 1 . 2]" 2
340 1 57 ILE HA 1 57 ILE HG12 . . 4.050 3.230 2.583 3.605 . 0 0 "[ . 1 . 2]" 2
341 1 57 ILE HA 1 57 ILE HG13 . . 4.050 2.644 2.261 3.725 . 0 0 "[ . 1 . 2]" 2
342 1 68 VAL H 1 68 VAL HB . . 3.830 3.018 2.250 3.635 . 0 0 "[ . 1 . 2]" 2
343 1 47 TYR QD 1 57 ILE HA . . 4.410 3.539 2.976 3.995 . 0 0 "[ . 1 . 2]" 2
344 1 58 GLN HB2 1 61 HIS HD2 . . 4.510 3.210 2.471 4.519 0.009 2 0 "[ . 1 . 2]" 2
345 1 58 GLN HB3 1 61 HIS HD2 . . 5.060 3.477 2.879 3.921 . 0 0 "[ . 1 . 2]" 2
346 1 44 GLU HB2 1 45 LYS H . . 4.950 3.648 2.139 4.561 . 0 0 "[ . 1 . 2]" 2
347 1 17 ARG HB2 1 27 SER QB . . 4.270 2.539 1.976 3.594 . 0 0 "[ . 1 . 2]" 2
348 1 17 ARG HB3 1 27 SER QB . . 4.270 2.810 2.190 3.679 . 0 0 "[ . 1 . 2]" 2
349 1 44 GLU HB3 1 45 LYS H . . 4.950 3.317 1.989 4.424 . 0 0 "[ . 1 . 2]" 2
350 1 42 THR HA 1 42 THR MG . . 3.280 2.518 2.114 3.204 . 0 0 "[ . 1 . 2]" 2
351 1 34 LEU HB3 1 35 SER QB . . 4.990 4.399 4.146 4.984 . 0 0 "[ . 1 . 2]" 2
352 1 35 SER QB 1 38 ARG HB2 . . 5.500 5.038 4.614 5.422 . 0 0 "[ . 1 . 2]" 2
353 1 35 SER QB 1 36 LYS QB . . 5.020 4.283 3.645 4.514 . 0 0 "[ . 1 . 2]" 2
354 1 34 LEU HG 1 35 SER QB . . 5.500 4.426 3.890 4.989 . 0 0 "[ . 1 . 2]" 2
355 1 70 THR HA 1 70 THR MG . . 3.310 2.540 2.181 3.207 . 0 0 "[ . 1 . 2]" 2
356 1 35 SER HA 1 35 SER QB . . 2.420 2.353 2.286 2.424 0.004 16 0 "[ . 1 . 2]" 2
357 1 35 SER HA 1 38 ARG HB2 . . 4.080 3.287 3.032 3.606 . 0 0 "[ . 1 . 2]" 2
358 1 49 CYS HB3 1 52 CYS H . . 3.870 3.532 3.072 3.820 . 0 0 "[ . 1 . 2]" 2
359 1 49 CYS HB3 1 65 HIS HD2 . . 4.570 4.317 3.680 4.566 . 0 0 "[ . 1 . 2]" 2
360 1 48 LYS HA 1 49 CYS HB3 . . 4.760 4.600 4.442 4.794 0.034 12 0 "[ . 1 . 2]" 2
361 1 49 CYS HB3 1 54 LYS HB2 . . 4.940 4.410 3.827 4.824 . 0 0 "[ . 1 . 2]" 2
362 1 49 CYS HB3 1 54 LYS HB3 . . 4.940 3.623 3.224 3.891 . 0 0 "[ . 1 . 2]" 2
363 1 49 CYS HB2 1 52 CYS H . . 4.900 4.625 4.327 4.816 . 0 0 "[ . 1 . 2]" 2
364 1 49 CYS H 1 49 CYS HB2 . . 3.410 2.775 2.433 3.070 . 0 0 "[ . 1 . 2]" 2
365 1 49 CYS HB2 1 54 LYS H . . 4.310 3.947 3.165 4.311 0.001 20 0 "[ . 1 . 2]" 2
366 1 49 CYS HB2 1 65 HIS HD2 . . 3.650 3.121 2.564 3.630 . 0 0 "[ . 1 . 2]" 2
367 1 49 CYS HB2 1 56 PHE QE . . 3.880 2.722 2.018 3.256 . 0 0 "[ . 1 . 2]" 2
368 1 48 LYS HA 1 49 CYS HB2 . . 4.860 4.519 4.284 4.692 . 0 0 "[ . 1 . 2]" 2
369 1 36 LYS HA 1 39 ARG HB3 . . 5.140 5.001 4.506 5.170 0.030 16 0 "[ . 1 . 2]" 2
370 1 64 GLY QA 1 67 ARG QB . . 5.070 3.695 3.147 4.202 . 0 0 "[ . 1 . 2]" 2
371 1 30 HIS HE1 1 32 SER QB . . 4.790 2.917 2.255 3.814 . 0 0 "[ . 1 . 2]" 2
372 1 32 SER QB 1 33 ASP H . . 4.250 2.418 2.105 2.603 . 0 0 "[ . 1 . 2]" 2
373 1 21 CYS HB3 1 37 HIS HD2 . . 3.980 3.873 3.678 3.963 . 0 0 "[ . 1 . 2]" 2
374 1 21 CYS HB3 1 28 PHE QE . . 4.050 3.711 3.281 4.054 0.004 18 0 "[ . 1 . 2]" 2
375 1 20 LYS HA 1 21 CYS HB3 . . 4.920 4.813 4.618 4.921 0.001 8 0 "[ . 1 . 2]" 2
376 1 21 CYS HB3 1 34 LEU MD1 . . 3.810 3.625 3.269 3.812 0.002 13 0 "[ . 1 . 2]" 2
377 1 21 CYS HB2 1 25 GLY H . . 4.780 4.407 4.224 4.653 . 0 0 "[ . 1 . 2]" 2
378 1 21 CYS HB2 1 28 PHE QD . . 4.800 4.234 3.877 4.800 . 0 0 "[ . 1 . 2]" 2
379 1 21 CYS HB2 1 37 HIS HD2 . . 3.310 2.824 2.301 3.028 . 0 0 "[ . 1 . 2]" 2
380 1 21 CYS HB2 1 28 PHE QE . . 3.680 2.761 2.292 3.387 . 0 0 "[ . 1 . 2]" 2
381 1 20 LYS HA 1 21 CYS HB2 . . 4.730 4.325 4.181 4.541 . 0 0 "[ . 1 . 2]" 2
382 1 21 CYS HB2 1 26 LYS H . . 3.990 3.738 3.437 3.991 0.001 16 0 "[ . 1 . 2]" 2
383 1 34 LEU MD1 1 38 ARG HB3 . . 5.500 5.187 4.021 5.523 0.023 20 0 "[ . 1 . 2]" 2
384 1 39 ARG H 1 39 ARG HB2 . . 3.780 2.556 2.399 2.715 . 0 0 "[ . 1 . 2]" 2
385 1 36 LYS HA 1 39 ARG HB2 . . 5.140 3.935 3.032 4.208 . 0 0 "[ . 1 . 2]" 2
386 1 23 GLU HB2 1 41 HIS HD2 . . 4.600 3.826 3.139 4.569 . 0 0 "[ . 1 . 2]" 2
387 1 23 GLU H 1 23 GLU HB3 . . 3.650 3.572 3.515 3.678 0.028 15 0 "[ . 1 . 2]" 2
388 1 23 GLU HB3 1 41 HIS HD2 . . 4.600 4.115 3.359 4.590 . 0 0 "[ . 1 . 2]" 2
389 1 30 HIS HB3 1 32 SER QB . . 4.910 3.425 2.630 3.931 . 0 0 "[ . 1 . 2]" 2
390 1 30 HIS HB2 1 32 SER QB . . 5.410 4.770 4.169 5.149 . 0 0 "[ . 1 . 2]" 2
391 1 32 SER QB 1 36 LYS QE . . 5.500 4.022 2.277 5.513 0.013 20 0 "[ . 1 . 2]" 2
392 1 31 SER HA 1 31 SER HB3 . . 2.980 2.504 2.342 3.029 0.049 13 0 "[ . 1 . 2]" 2
393 1 35 SER HA 1 38 ARG HB3 . . 4.950 4.824 4.572 4.951 0.001 11 0 "[ . 1 . 2]" 2
394 1 34 LEU MD1 1 38 ARG HB2 . . 4.760 4.454 4.162 4.708 . 0 0 "[ . 1 . 2]" 2
395 1 37 HIS HD2 1 38 ARG HB2 . . 5.150 4.556 4.013 4.952 . 0 0 "[ . 1 . 2]" 2
396 1 20 LYS QD 1 25 GLY HA3 . . 5.500 5.319 4.891 5.521 0.021 8 0 "[ . 1 . 2]" 2
397 1 60 SER QB 1 61 HIS HD2 . . 4.340 3.031 2.455 3.917 . 0 0 "[ . 1 . 2]" 2
398 1 60 SER QB 1 63 ILE HB . . 4.160 3.878 3.635 4.173 0.013 15 0 "[ . 1 . 2]" 2
399 1 60 SER QB 1 63 ILE MD . . 5.020 3.746 2.891 5.041 0.021 10 0 "[ . 1 . 2]" 2
400 1 36 LYS H 1 36 LYS HD3 . . 5.070 4.473 2.719 5.006 . 0 0 "[ . 1 . 2]" 2
401 1 36 LYS QB 1 36 LYS HD2 . . 3.690 2.379 2.049 3.249 . 0 0 "[ . 1 . 2]" 2
402 1 20 LYS QD 1 25 GLY HA2 . . 4.560 4.172 3.899 4.430 . 0 0 "[ . 1 . 2]" 2
403 1 54 LYS HD2 1 55 ALA H . . 5.180 4.611 3.244 5.144 . 0 0 "[ . 1 . 2]" 2
404 1 45 LYS HA 1 45 LYS QD . . 4.720 3.316 2.531 4.177 . 0 0 "[ . 1 . 2]" 2
405 1 45 LYS QD 1 55 ALA MB . . 3.710 2.583 1.831 3.774 0.064 8 0 "[ . 1 . 2]" 2
406 1 26 LYS HD2 1 28 PHE HZ . . 4.630 3.871 2.310 4.677 0.047 17 0 "[ . 1 . 2]" 2
407 1 26 LYS HA 1 26 LYS HD2 . . 5.180 4.163 2.680 4.600 . 0 0 "[ . 1 . 2]" 2
408 1 26 LYS HD2 1 37 HIS HE1 . . 4.120 3.258 2.520 3.902 . 0 0 "[ . 1 . 2]" 2
409 1 26 LYS HD2 1 28 PHE QE . . 5.410 4.486 3.298 5.253 . 0 0 "[ . 1 . 2]" 2
410 1 54 LYS HD2 1 56 PHE QE . . 5.500 3.720 2.272 4.781 . 0 0 "[ . 1 . 2]" 2
411 1 54 LYS HD2 1 56 PHE HZ . . 4.790 3.663 2.228 4.793 0.003 9 0 "[ . 1 . 2]" 2
412 1 26 LYS HD3 1 37 HIS HE1 . . 4.120 3.499 2.474 4.094 . 0 0 "[ . 1 . 2]" 2
413 1 26 LYS HD3 1 28 PHE QE . . 5.410 3.572 2.885 5.306 . 0 0 "[ . 1 . 2]" 2
414 1 54 LYS HD3 1 56 PHE QE . . 5.500 3.265 1.999 4.922 . 0 0 "[ . 1 . 2]" 2
415 1 26 LYS HA 1 26 LYS HD3 . . 5.180 4.548 4.033 4.709 . 0 0 "[ . 1 . 2]" 2
416 1 54 LYS HA 1 54 LYS HD3 . . 5.400 4.395 3.260 4.934 . 0 0 "[ . 1 . 2]" 2
417 1 54 LYS HD3 1 56 PHE HZ . . 4.790 3.471 2.224 4.784 . 0 0 "[ . 1 . 2]" 2
418 1 11 TRP QB 1 11 TRP HE3 . . 3.880 2.688 2.382 3.327 . 0 0 "[ . 1 . 2]" 2
419 1 60 SER HA 1 60 SER QB . . 2.740 2.292 2.169 2.450 . 0 0 "[ . 1 . 2]" 2
420 1 60 SER HA 1 63 ILE HG12 . . 4.930 3.516 1.997 4.322 . 0 0 "[ . 1 . 2]" 2
421 1 60 SER HA 1 63 ILE MG . . 4.800 3.659 3.416 3.941 . 0 0 "[ . 1 . 2]" 2
422 1 60 SER HA 1 63 ILE HB . . 3.660 2.334 2.048 2.632 . 0 0 "[ . 1 . 2]" 2
423 1 56 PHE QE 1 65 HIS HB3 . . 5.110 3.930 3.266 4.541 . 0 0 "[ . 1 . 2]" 2
424 1 37 HIS HD2 1 38 ARG QG . . 4.380 3.288 2.325 3.861 . 0 0 "[ . 1 . 2]" 2
425 1 38 ARG QG 1 41 HIS HD2 . . 4.650 3.050 2.334 4.149 . 0 0 "[ . 1 . 2]" 2
426 1 35 SER HA 1 38 ARG QG . . 4.710 4.004 2.127 4.545 . 0 0 "[ . 1 . 2]" 2
427 1 34 LEU HG 1 38 ARG QG . . 4.460 3.994 2.322 4.453 . 0 0 "[ . 1 . 2]" 2
428 1 34 LEU MD1 1 37 HIS HB2 . . 4.890 4.228 3.746 4.545 . 0 0 "[ . 1 . 2]" 2
429 1 38 ARG H 1 38 ARG QG . . 3.890 3.141 1.933 3.459 . 0 0 "[ . 1 . 2]" 2
430 1 28 PHE QE 1 37 HIS HB3 . . 4.690 3.556 3.328 3.940 . 0 0 "[ . 1 . 2]" 2
431 1 56 PHE QE 1 65 HIS HB2 . . 5.110 3.299 2.309 4.214 . 0 0 "[ . 1 . 2]" 2
432 1 60 SER HA 1 63 ILE HG13 . . 4.930 2.559 2.094 3.230 . 0 0 "[ . 1 . 2]" 2
433 1 37 HIS HD2 1 38 ARG HA . . 3.720 3.174 2.592 3.669 . 0 0 "[ . 1 . 2]" 2
434 1 38 ARG HA 1 41 HIS HD2 . . 3.230 2.091 1.997 2.343 . 0 0 "[ . 1 . 2]" 2
435 1 38 ARG HA 1 38 ARG QG . . 3.650 2.235 2.135 2.589 . 0 0 "[ . 1 . 2]" 2
436 1 34 LEU HG 1 35 SER HA . . 4.830 3.225 2.767 3.476 . 0 0 "[ . 1 . 2]" 2
437 1 59 ARG HG2 1 63 ILE MD . . 4.680 3.341 2.110 4.679 . 0 0 "[ . 1 . 2]" 2
438 1 59 ARG HG3 1 63 ILE MD . . 4.680 3.136 1.918 4.487 . 0 0 "[ . 1 . 2]" 2
439 1 66 HIS HA 1 69 HIS HD2 . . 3.970 3.290 2.497 3.938 . 0 0 "[ . 1 . 2]" 2
440 1 36 LYS HA 1 36 LYS HG2 . . 3.930 2.829 2.386 3.764 . 0 0 "[ . 1 . 2]" 2
441 1 36 LYS HA 1 36 LYS HG3 . . 3.930 3.055 2.283 3.795 . 0 0 "[ . 1 . 2]" 2
442 1 47 TYR QD 1 59 ARG HA . . 4.310 3.590 3.122 4.118 . 0 0 "[ . 1 . 2]" 2
443 1 47 TYR QE 1 59 ARG HA . . 4.370 3.542 3.010 3.851 . 0 0 "[ . 1 . 2]" 2
444 1 59 ARG HA 1 62 LEU HB3 . . 3.900 3.468 3.057 3.877 . 0 0 "[ . 1 . 2]" 2
445 1 59 ARG HA 1 59 ARG HG2 . . 4.070 3.213 2.197 3.862 . 0 0 "[ . 1 . 2]" 2
446 1 59 ARG HA 1 59 ARG HG3 . . 4.070 3.109 2.192 3.961 . 0 0 "[ . 1 . 2]" 2
447 1 66 HIS HA 1 66 HIS HD2 . . 4.530 3.201 2.445 4.082 . 0 0 "[ . 1 . 2]" 2
448 1 65 HIS HD2 1 66 HIS HA . . 4.560 3.243 2.439 4.399 . 0 0 "[ . 1 . 2]" 2
449 1 67 ARG H 1 67 ARG QG . . 4.360 2.791 1.981 3.824 . 0 0 "[ . 1 . 2]" 2
450 1 62 LEU HG 1 63 ILE H . . 5.120 3.633 3.027 4.132 . 0 0 "[ . 1 . 2]" 2
451 1 62 LEU H 1 62 LEU HG . . 5.150 4.353 4.169 4.524 . 0 0 "[ . 1 . 2]" 2
452 1 16 ARG HA 1 16 ARG HG2 . . 4.160 3.275 2.227 4.215 0.055 5 0 "[ . 1 . 2]" 2
453 1 16 ARG HA 1 16 ARG HG3 . . 4.160 3.486 2.639 3.850 . 0 0 "[ . 1 . 2]" 2
454 1 17 ARG HG3 1 18 ARG H . . 5.220 4.090 1.890 5.067 . 0 0 "[ . 1 . 2]" 2
455 1 18 ARG HA 1 18 ARG HG2 . . 4.060 3.004 2.208 3.841 . 0 0 "[ . 1 . 2]" 2
456 1 18 ARG H 1 18 ARG HG3 . . 4.830 3.720 2.456 4.506 . 0 0 "[ . 1 . 2]" 2
457 1 37 HIS HA 1 37 HIS HB2 . . 2.980 2.305 2.288 2.344 . 0 0 "[ . 1 . 2]" 2
458 1 37 HIS HA 1 40 THR MG . . 3.370 3.159 2.556 3.426 0.056 17 0 "[ . 1 . 2]" 2
459 1 46 PRO HG3 1 47 TYR QD . . 4.920 3.988 3.703 4.366 . 0 0 "[ . 1 . 2]" 2
460 1 46 PRO HG3 1 47 TYR H . . 5.120 4.534 4.381 4.645 . 0 0 "[ . 1 . 2]" 2
461 1 23 GLU HA 1 23 GLU HG3 . . 3.950 3.136 2.237 3.807 . 0 0 "[ . 1 . 2]" 2
462 1 19 TYR HA 1 34 LEU MD2 . . 4.020 3.821 2.331 4.039 0.019 8 0 "[ . 1 . 2]" 2
463 1 19 TYR HB3 1 34 LEU MD2 . . 3.220 1.966 1.878 2.035 . 0 0 "[ . 1 . 2]" 2
464 1 19 TYR HB2 1 34 LEU MD2 . . 3.690 3.146 2.861 3.491 . 0 0 "[ . 1 . 2]" 2
465 1 19 TYR QD 1 34 LEU MD2 . . 3.670 2.460 1.837 3.564 . 0 0 "[ . 1 . 2]" 2
466 1 28 PHE HB2 1 34 LEU MD2 . . 4.690 4.026 3.863 4.118 . 0 0 "[ . 1 . 2]" 2
467 1 65 HIS HA 1 68 VAL H . . 4.470 3.763 3.263 4.282 . 0 0 "[ . 1 . 2]" 2
468 1 65 HIS HA 1 68 VAL MG1 . . 4.510 3.623 2.823 4.523 0.013 3 0 "[ . 1 . 2]" 2
469 1 65 HIS HA 1 68 VAL MG2 . . 4.510 3.466 1.855 4.525 0.015 4 0 "[ . 1 . 2]" 2
470 1 23 GLU HA 1 23 GLU HG2 . . 3.950 2.969 2.184 3.679 . 0 0 "[ . 1 . 2]" 2
471 1 28 PHE QD 1 34 LEU MD2 . . 4.780 3.657 3.275 3.873 . 0 0 "[ . 1 . 2]" 2
472 1 26 LYS H 1 26 LYS HG2 . . 4.690 4.605 4.390 4.684 . 0 0 "[ . 1 . 2]" 2
473 1 26 LYS H 1 26 LYS HG3 . . 4.690 4.204 3.436 4.503 . 0 0 "[ . 1 . 2]" 2
474 1 54 LYS H 1 54 LYS HG3 . . 4.710 4.613 4.358 4.713 0.003 2 0 "[ . 1 . 2]" 2
475 1 47 TYR QE 1 62 LEU MD2 . . 5.190 4.393 3.929 5.140 . 0 0 "[ . 1 . 2]" 2
476 1 56 PHE QE 1 62 LEU MD2 . . 5.500 4.509 3.750 5.210 . 0 0 "[ . 1 . 2]" 2
477 1 47 TYR HB2 1 62 LEU MD2 . . 4.130 3.809 3.417 4.128 . 0 0 "[ . 1 . 2]" 2
478 1 39 ARG HA 1 42 THR MG . . 4.070 3.455 2.381 4.070 0.000 3 0 "[ . 1 . 2]" 2
479 1 39 ARG HA 1 39 ARG QD . . 4.640 3.761 2.035 4.228 . 0 0 "[ . 1 . 2]" 2
480 1 67 ARG HA 1 67 ARG QD . . 4.900 3.825 2.126 4.556 . 0 0 "[ . 1 . 2]" 2
481 1 54 LYS H 1 54 LYS HG2 . . 4.710 4.532 4.380 4.699 . 0 0 "[ . 1 . 2]" 2
482 1 38 ARG HB3 1 39 ARG HA . . 4.930 4.194 4.003 4.802 . 0 0 "[ . 1 . 2]" 2
483 1 26 LYS HA 1 26 LYS HG2 . . 3.800 2.979 2.716 3.601 . 0 0 "[ . 1 . 2]" 2
484 1 26 LYS HA 1 26 LYS HG3 . . 3.800 2.333 2.154 2.490 . 0 0 "[ . 1 . 2]" 2
485 1 34 LEU HA 1 38 ARG H . . 4.470 4.086 3.718 4.348 . 0 0 "[ . 1 . 2]" 2
486 1 28 PHE QD 1 34 LEU HA . . 3.990 3.425 3.212 3.604 . 0 0 "[ . 1 . 2]" 2
487 1 34 LEU HA 1 37 HIS HD2 . . 4.410 3.910 3.500 4.248 . 0 0 "[ . 1 . 2]" 2
488 1 28 PHE QE 1 34 LEU HA . . 4.340 3.492 3.186 3.839 . 0 0 "[ . 1 . 2]" 2
489 1 34 LEU HA 1 37 HIS HB3 . . 3.280 2.313 2.190 2.395 . 0 0 "[ . 1 . 2]" 2
490 1 34 LEU HA 1 37 HIS HB2 . . 3.710 3.462 3.209 3.654 . 0 0 "[ . 1 . 2]" 2
491 1 34 LEU HA 1 34 LEU HG . . 4.010 3.278 3.161 3.387 . 0 0 "[ . 1 . 2]" 2
492 1 34 LEU HA 1 34 LEU MD1 . . 3.080 2.368 2.075 2.657 . 0 0 "[ . 1 . 2]" 2
493 1 62 LEU HA 1 65 HIS H . . 4.450 3.327 3.055 3.520 . 0 0 "[ . 1 . 2]" 2
494 1 56 PHE QD 1 62 LEU HA . . 4.210 3.792 3.246 4.161 . 0 0 "[ . 1 . 2]" 2
495 1 62 LEU HA 1 62 LEU HG . . 4.200 3.088 2.746 3.356 . 0 0 "[ . 1 . 2]" 2
496 1 10 GLU HA 1 10 GLU HG3 . . 4.230 3.282 2.237 4.232 0.002 3 0 "[ . 1 . 2]" 2
497 1 50 ASP HA 1 52 CYS H . . 5.040 4.742 4.340 4.982 . 0 0 "[ . 1 . 2]" 2
498 1 48 LYS QG 1 55 ALA HA . . 4.740 2.860 2.007 4.493 . 0 0 "[ . 1 . 2]" 2
499 1 61 HIS HA 1 61 HIS HD2 . . 3.330 2.719 2.487 2.921 . 0 0 "[ . 1 . 2]" 2
500 1 60 SER QB 1 61 HIS HA . . 4.350 4.076 3.793 4.364 0.014 6 0 "[ . 1 . 2]" 2
501 1 33 ASP HA 1 35 SER QB . . 4.980 4.758 4.449 4.997 0.017 19 0 "[ . 1 . 2]" 2
502 1 30 HIS HB3 1 33 ASP HA . . 4.850 4.764 4.526 4.867 0.017 19 0 "[ . 1 . 2]" 2
503 1 33 ASP HA 1 36 LYS QB . . 3.370 3.193 2.942 3.385 0.015 5 0 "[ . 1 . 2]" 2
504 1 33 ASP HA 1 36 LYS HG2 . . 5.230 4.737 2.881 5.231 0.001 10 0 "[ . 1 . 2]" 2
505 1 33 ASP HA 1 37 HIS H . . 4.670 4.437 4.132 4.670 0.000 7 0 "[ . 1 . 2]" 2
506 1 14 ARG HA 1 14 ARG QG . . 3.680 2.741 2.186 3.416 . 0 0 "[ . 1 . 2]" 2
507 1 15 GLU HA 1 15 GLU QG . . 3.640 2.745 2.248 3.409 . 0 0 "[ . 1 . 2]" 2
508 1 20 LYS HG3 1 25 GLY HA2 . . 4.490 3.701 3.432 4.162 . 0 0 "[ . 1 . 2]" 2
509 1 20 LYS HG3 1 27 SER HA . . 5.110 3.474 3.253 3.800 . 0 0 "[ . 1 . 2]" 2
510 1 20 LYS HG2 1 21 CYS H . . 4.220 2.727 1.946 3.356 . 0 0 "[ . 1 . 2]" 2
511 1 20 LYS HG2 1 27 SER QB . . 4.760 4.602 4.100 4.766 0.006 17 0 "[ . 1 . 2]" 2
512 1 11 TRP HE3 1 12 GLN HA . . 4.760 4.030 2.466 4.791 0.031 7 0 "[ . 1 . 2]" 2
513 1 12 GLN HA 1 12 GLN HG2 . . 4.140 3.328 2.219 4.178 0.038 14 0 "[ . 1 . 2]" 2
514 1 12 GLN HA 1 12 GLN HG3 . . 4.140 3.008 2.233 4.196 0.056 8 0 "[ . 1 . 2]" 2
515 1 13 GLN HA 1 13 GLN QG . . 3.740 2.731 2.235 3.461 . 0 0 "[ . 1 . 2]" 2
516 1 16 ARG HA 1 16 ARG QD . . 4.420 3.732 2.000 4.426 0.006 18 0 "[ . 1 . 2]" 2
517 1 17 ARG HA 1 18 ARG H . . 3.190 2.430 2.216 2.645 . 0 0 "[ . 1 . 2]" 2
518 1 17 ARG HA 1 17 ARG HG2 . . 3.950 3.097 2.402 3.850 . 0 0 "[ . 1 . 2]" 2
519 1 17 ARG HA 1 17 ARG HG3 . . 3.950 3.041 2.205 3.907 . 0 0 "[ . 1 . 2]" 2
520 1 18 ARG HA 1 18 ARG HG3 . . 4.060 3.001 2.186 3.770 . 0 0 "[ . 1 . 2]" 2
521 1 18 ARG HA 1 19 TYR QD . . 4.580 4.301 3.560 4.587 0.007 4 0 "[ . 1 . 2]" 2
522 1 49 CYS H 1 62 LEU MD1 . . 4.390 3.543 3.018 3.915 . 0 0 "[ . 1 . 2]" 2
523 1 56 PHE QD 1 62 LEU MD1 . . 3.500 2.680 2.196 3.474 . 0 0 "[ . 1 . 2]" 2
524 1 62 LEU MD1 1 65 HIS HD2 . . 3.720 2.279 1.909 3.128 . 0 0 "[ . 1 . 2]" 2
525 1 56 PHE QE 1 62 LEU MD1 . . 3.770 2.457 1.998 3.228 . 0 0 "[ . 1 . 2]" 2
526 1 48 LYS HA 1 62 LEU MD1 . . 4.610 3.903 3.232 4.584 . 0 0 "[ . 1 . 2]" 2
527 1 49 CYS HB3 1 62 LEU MD1 . . 4.210 3.764 3.151 4.212 0.002 9 0 "[ . 1 . 2]" 2
528 1 62 LEU HA 1 62 LEU MD1 . . 3.330 2.317 2.027 2.637 . 0 0 "[ . 1 . 2]" 2
529 1 49 CYS HB2 1 62 LEU MD1 . . 3.600 2.433 1.901 2.805 . 0 0 "[ . 1 . 2]" 2
530 1 48 LYS HA 1 55 ALA MB . . 3.770 3.578 3.403 3.783 0.013 8 0 "[ . 1 . 2]" 2
531 1 48 LYS QE 1 55 ALA MB . . 4.560 3.725 2.009 4.534 . 0 0 "[ . 1 . 2]" 2
532 1 34 LEU MD1 1 38 ARG H . . 3.960 3.449 3.089 3.862 . 0 0 "[ . 1 . 2]" 2
533 1 34 LEU MD1 1 35 SER H . . 4.700 4.282 3.893 4.472 . 0 0 "[ . 1 . 2]" 2
534 1 28 PHE QD 1 34 LEU MD1 . . 3.180 2.390 2.015 2.967 . 0 0 "[ . 1 . 2]" 2
535 1 34 LEU MD1 1 37 HIS HD2 . . 3.170 2.232 1.950 2.578 . 0 0 "[ . 1 . 2]" 2
536 1 28 PHE QE 1 34 LEU MD1 . . 3.400 2.352 1.975 2.818 . 0 0 "[ . 1 . 2]" 2
537 1 27 SER HA 1 34 LEU MD1 . . 4.770 4.192 3.693 4.754 . 0 0 "[ . 1 . 2]" 2
538 1 20 LYS HA 1 34 LEU MD1 . . 4.450 3.766 3.113 4.190 . 0 0 "[ . 1 . 2]" 2
539 1 21 CYS HA 1 34 LEU MD1 . . 3.120 2.909 2.194 3.132 0.012 8 0 "[ . 1 . 2]" 2
540 1 34 LEU MD1 1 38 ARG HA . . 4.770 4.376 3.816 4.646 . 0 0 "[ . 1 . 2]" 2
541 1 34 LEU MD1 1 38 ARG HD2 . . 3.530 2.325 1.930 3.641 0.111 16 0 "[ . 1 . 2]" 2
542 1 34 LEU MD1 1 38 ARG HD3 . . 3.530 2.583 2.044 3.530 0.000 18 0 "[ . 1 . 2]" 2
543 1 31 SER HA 1 34 LEU MD1 . . 5.500 5.212 4.921 5.445 . 0 0 "[ . 1 . 2]" 2
544 1 34 LEU MD1 1 37 HIS HB3 . . 3.810 2.958 2.480 3.366 . 0 0 "[ . 1 . 2]" 2
545 1 19 TYR HB3 1 34 LEU MD1 . . 4.080 3.801 3.469 4.086 0.006 18 0 "[ . 1 . 2]" 2
546 1 21 CYS HB2 1 34 LEU MD1 . . 3.170 2.213 1.901 2.484 . 0 0 "[ . 1 . 2]" 2
547 1 19 TYR HB2 1 34 LEU MD1 . . 4.760 4.603 3.982 4.770 0.010 20 0 "[ . 1 . 2]" 2
548 1 28 PHE HB2 1 34 LEU MD1 . . 4.350 3.909 3.598 4.359 0.009 19 0 "[ . 1 . 2]" 2
549 1 34 LEU MD1 1 38 ARG QG . . 3.710 3.301 1.844 3.709 . 0 0 "[ . 1 . 2]" 2
550 1 47 TYR HB3 1 62 LEU MD1 . . 4.490 3.663 2.799 4.263 . 0 0 "[ . 1 . 2]" 2
551 1 54 LYS HA 1 55 ALA MB . . 4.440 3.903 3.818 3.961 . 0 0 "[ . 1 . 2]" 2
552 1 45 LYS HA 1 46 PRO HD2 . . 3.120 2.114 1.915 2.440 . 0 0 "[ . 1 . 2]" 2
553 1 45 LYS HA 1 45 LYS HG2 . . 3.900 3.191 2.363 3.694 . 0 0 "[ . 1 . 2]" 2
554 1 45 LYS HA 1 45 LYS HG3 . . 3.900 2.529 2.172 3.475 . 0 0 "[ . 1 . 2]" 2
555 1 45 LYS HA 1 57 ILE MG . . 4.780 4.409 3.457 4.746 . 0 0 "[ . 1 . 2]" 2
556 1 42 THR H 1 42 THR MG . . 4.580 2.650 1.879 3.613 . 0 0 "[ . 1 . 2]" 2
557 1 70 THR H 1 70 THR MG . . 4.430 3.118 1.889 4.002 . 0 0 "[ . 1 . 2]" 2
558 1 37 HIS HE1 1 40 THR MG . . 4.390 3.333 2.507 4.392 0.002 11 0 "[ . 1 . 2]" 2
559 1 39 ARG H 1 40 THR MG . . 4.690 4.146 3.893 4.639 . 0 0 "[ . 1 . 2]" 2
560 1 37 HIS HB2 1 40 THR MG . . 4.840 4.273 4.069 4.562 . 0 0 "[ . 1 . 2]" 2
561 1 65 HIS HE1 1 68 VAL MG1 . . 3.920 3.127 2.194 3.919 . 0 0 "[ . 1 . 2]" 2
562 1 68 VAL H 1 68 VAL MG1 . . 3.790 2.648 1.873 3.826 0.036 12 0 "[ . 1 . 2]" 2
563 1 68 VAL MG1 1 69 HIS H . . 4.800 3.197 2.029 4.019 . 0 0 "[ . 1 . 2]" 2
564 1 68 VAL H 1 68 VAL MG2 . . 3.790 2.761 1.869 3.850 0.060 20 0 "[ . 1 . 2]" 2
565 1 68 VAL MG2 1 69 HIS H . . 4.800 3.107 1.773 4.067 . 0 0 "[ . 1 . 2]" 2
566 1 46 PRO HD2 1 47 TYR QD . . 4.640 3.050 2.744 3.399 . 0 0 "[ . 1 . 2]" 2
567 1 45 LYS HA 1 46 PRO HD3 . . 3.120 2.458 2.254 3.199 0.079 4 0 "[ . 1 . 2]" 2
568 1 57 ILE H 1 57 ILE MG . . 4.150 3.746 3.195 3.809 . 0 0 "[ . 1 . 2]" 2
569 1 57 ILE MG 1 58 GLN H . . 4.100 3.241 2.912 4.035 . 0 0 "[ . 1 . 2]" 2
570 1 57 ILE MG 1 58 GLN HA . . 5.070 3.568 3.367 5.167 0.097 9 0 "[ . 1 . 2]" 2
571 1 57 ILE HA 1 57 ILE MG . . 3.380 2.363 2.159 2.470 . 0 0 "[ . 1 . 2]" 2
572 1 45 LYS QE 1 57 ILE MG . . 5.270 4.653 2.692 5.275 0.005 15 0 "[ . 1 . 2]" 2
573 1 73 GLY HA2 1 74 PRO QD . . 3.640 2.692 1.859 3.471 . 0 0 "[ . 1 . 2]" 2
574 1 63 ILE MG 1 64 GLY QA . . 4.090 3.242 2.978 3.532 . 0 0 "[ . 1 . 2]" 2
575 1 63 ILE HA 1 63 ILE MG . . 3.300 2.404 2.317 2.464 . 0 0 "[ . 1 . 2]" 2
576 1 63 ILE MG 1 64 GLY H . . 4.360 3.262 2.723 3.625 . 0 0 "[ . 1 . 2]" 2
577 1 46 PRO HD3 1 47 TYR QD . . 4.640 4.545 4.414 4.654 0.014 20 0 "[ . 1 . 2]" 2
578 1 47 TYR QD 1 62 LEU HB2 . . 5.410 4.555 4.001 5.089 . 0 0 "[ . 1 . 2]" 2
579 1 47 TYR HA 1 47 TYR QD . . 3.700 2.868 2.811 2.913 . 0 0 "[ . 1 . 2]" 2
580 1 47 TYR QD 1 62 LEU MD2 . . 4.000 2.827 2.471 3.448 . 0 0 "[ . 1 . 2]" 2
581 1 56 PHE HA 1 56 PHE QD . . 4.100 3.062 2.779 3.210 . 0 0 "[ . 1 . 2]" 2
582 1 56 PHE QD 1 62 LEU HB2 . . 4.020 2.952 2.250 3.325 . 0 0 "[ . 1 . 2]" 2
583 1 56 PHE QD 1 61 HIS HB3 . . 4.430 2.391 2.004 3.209 . 0 0 "[ . 1 . 2]" 2
584 1 28 PHE QD 1 34 LEU HB2 . . 4.060 2.606 2.246 2.858 . 0 0 "[ . 1 . 2]" 2
585 1 28 PHE QE 1 37 HIS HB2 . . 3.990 2.928 2.471 3.535 . 0 0 "[ . 1 . 2]" 2
586 1 28 PHE QE 1 37 HIS HE1 . . 5.270 4.711 4.373 5.062 . 0 0 "[ . 1 . 2]" 2
587 1 54 LYS H 1 56 PHE QE . . 5.470 3.920 3.492 4.449 . 0 0 "[ . 1 . 2]" 2
588 1 49 CYS HB3 1 56 PHE QE . . 4.550 3.150 2.585 4.014 . 0 0 "[ . 1 . 2]" 2
589 1 56 PHE QE 1 62 LEU HA . . 4.920 3.795 3.253 4.195 . 0 0 "[ . 1 . 2]" 2
590 1 54 LYS HB3 1 56 PHE QE . . 4.600 2.862 2.326 3.273 . 0 0 "[ . 1 . 2]" 2
591 1 28 PHE HZ 1 37 HIS HB3 . . 4.780 3.306 2.909 3.965 . 0 0 "[ . 1 . 2]" 2
592 1 26 LYS HD3 1 28 PHE HZ . . 4.630 2.779 2.010 4.641 0.011 8 0 "[ . 1 . 2]" 2
593 1 28 PHE HZ 1 37 HIS HB2 . . 4.190 2.714 2.345 3.454 . 0 0 "[ . 1 . 2]" 2
594 1 26 LYS HB2 1 28 PHE HZ . . 4.450 4.081 3.278 4.453 0.003 6 0 "[ . 1 . 2]" 2
595 1 54 LYS HB2 1 56 PHE HZ . . 4.680 3.920 3.104 4.296 . 0 0 "[ . 1 . 2]" 2
596 1 26 LYS HB3 1 28 PHE HZ . . 4.450 3.137 2.572 3.518 . 0 0 "[ . 1 . 2]" 2
597 1 27 SER HA 1 28 PHE QD . . 3.870 2.872 2.521 3.078 . 0 0 "[ . 1 . 2]" 2
598 1 20 LYS QD 1 27 SER HA . . 5.500 4.901 4.571 5.258 . 0 0 "[ . 1 . 2]" 2
599 1 48 LYS HA 1 48 LYS QD . . 4.400 3.870 2.212 4.126 . 0 0 "[ . 1 . 2]" 2
600 1 48 LYS HA 1 48 LYS QG . . 3.640 2.452 2.206 3.059 . 0 0 "[ . 1 . 2]" 2
601 1 46 PRO HG3 1 47 TYR QE . . 5.110 3.360 3.196 3.656 . 0 0 "[ . 1 . 2]" 2
602 1 47 TYR QE 1 58 GLN HA . . 4.070 3.448 2.875 3.956 . 0 0 "[ . 1 . 2]" 2
603 1 19 TYR QE 1 34 LEU MD2 . . 4.830 4.095 3.465 4.832 0.002 6 0 "[ . 1 . 2]" 2
604 1 55 ALA HA 1 56 PHE QD . . 4.170 3.162 2.779 3.684 . 0 0 "[ . 1 . 2]" 2
605 1 48 LYS HA 1 55 ALA HA . . 3.160 2.174 2.004 2.381 . 0 0 "[ . 1 . 2]" 2
606 1 49 CYS H 1 55 ALA HA . . 4.130 3.617 3.367 3.951 . 0 0 "[ . 1 . 2]" 2
607 1 63 ILE HG12 1 63 ILE MG . . 3.490 2.567 2.260 3.202 . 0 0 "[ . 1 . 2]" 2
608 1 63 ILE HG13 1 63 ILE MG . . 3.490 2.975 2.253 3.200 . 0 0 "[ . 1 . 2]" 2
609 1 58 GLN QG 1 61 HIS HE1 . . 4.250 3.713 2.982 4.253 0.003 2 0 "[ . 1 . 2]" 2
610 1 57 ILE MG 1 61 HIS HE1 . . 4.860 4.705 3.544 4.867 0.007 9 0 "[ . 1 . 2]" 2
611 1 49 CYS HA 1 62 LEU MD1 . . 3.660 3.273 2.531 3.637 . 0 0 "[ . 1 . 2]" 2
612 1 54 LYS HB2 1 56 PHE QE . . 4.600 4.320 3.954 4.599 . 0 0 "[ . 1 . 2]" 2
613 1 11 TRP HA 1 11 TRP HD1 . . 4.660 4.021 2.857 4.550 . 0 0 "[ . 1 . 2]" 2
614 1 11 TRP HA 1 11 TRP HE3 . . 4.530 3.758 1.979 4.548 0.018 17 0 "[ . 1 . 2]" 2
615 1 17 ARG HA 1 19 TYR H . . 5.060 4.699 4.256 4.994 . 0 0 "[ . 1 . 2]" 2
616 1 17 ARG HG2 1 18 ARG H . . 5.220 4.139 2.001 4.928 . 0 0 "[ . 1 . 2]" 2
617 1 19 TYR HA 1 19 TYR QD . . 3.530 2.931 2.220 3.185 . 0 0 "[ . 1 . 2]" 2
618 1 20 LYS HA 1 20 LYS HG3 . . 3.860 2.588 2.329 2.838 . 0 0 "[ . 1 . 2]" 2
619 1 20 LYS HA 1 27 SER HA . . 3.150 2.120 2.000 2.301 . 0 0 "[ . 1 . 2]" 2
620 1 20 LYS HG2 1 27 SER HA . . 5.100 4.730 4.339 5.004 . 0 0 "[ . 1 . 2]" 2
621 1 20 LYS HA 1 20 LYS HG2 . . 4.200 3.156 2.920 3.323 . 0 0 "[ . 1 . 2]" 2
622 1 24 CYS HB3 1 41 HIS HE1 . . 3.980 2.210 1.999 2.767 . 0 0 "[ . 1 . 2]" 2
623 1 24 CYS HB3 1 25 GLY H . . 5.010 3.925 3.856 4.033 . 0 0 "[ . 1 . 2]" 2
624 1 24 CYS HB2 1 25 GLY H . . 5.010 3.365 3.158 3.556 . 0 0 "[ . 1 . 2]" 2
625 1 24 CYS HB2 1 41 HIS HE1 . . 3.980 3.728 3.571 3.982 0.002 8 0 "[ . 1 . 2]" 2
626 1 49 CYS H 1 56 PHE QD . . 5.290 3.804 3.088 4.568 . 0 0 "[ . 1 . 2]" 2
627 1 56 PHE QD 1 57 ILE H . . 5.500 4.329 3.901 4.830 . 0 0 "[ . 1 . 2]" 2
628 1 56 PHE HZ 1 62 LEU HA . . 5.500 4.417 3.932 4.897 . 0 0 "[ . 1 . 2]" 2
629 1 29 SER HB3 1 30 HIS HD2 . . 5.500 5.475 5.175 5.518 0.018 5 0 "[ . 1 . 2]" 2
630 1 29 SER HB2 1 30 HIS HD2 . . 5.500 5.465 5.338 5.517 0.017 20 0 "[ . 1 . 2]" 2
631 1 31 SER HA 1 31 SER HB2 . . 2.980 2.467 2.352 2.597 . 0 0 "[ . 1 . 2]" 2
632 1 19 TYR QE 1 31 SER HB2 . . 4.340 3.099 2.174 4.209 . 0 0 "[ . 1 . 2]" 2
633 1 19 TYR QD 1 31 SER HB2 . . 4.920 3.875 3.310 4.647 . 0 0 "[ . 1 . 2]" 2
634 1 19 TYR QE 1 31 SER HB3 . . 4.340 2.941 2.437 3.907 . 0 0 "[ . 1 . 2]" 2
635 1 19 TYR QD 1 31 SER HB3 . . 4.920 3.788 3.151 4.804 . 0 0 "[ . 1 . 2]" 2
636 1 31 SER HA 1 34 LEU MD2 . . 4.280 3.329 2.859 3.598 . 0 0 "[ . 1 . 2]" 2
637 1 31 SER HA 1 34 LEU HB2 . . 4.250 3.840 3.383 4.165 . 0 0 "[ . 1 . 2]" 2
638 1 31 SER HA 1 34 LEU HB3 . . 3.640 2.801 2.483 3.031 . 0 0 "[ . 1 . 2]" 2
639 1 19 TYR QE 1 31 SER HA . . 4.610 3.891 3.216 4.448 . 0 0 "[ . 1 . 2]" 2
640 1 31 SER HA 1 35 SER H . . 4.680 4.310 4.046 4.632 . 0 0 "[ . 1 . 2]" 2
641 1 19 TYR QD 1 31 SER HA . . 4.180 3.335 2.545 3.828 . 0 0 "[ . 1 . 2]" 2
642 1 34 LEU HB3 1 34 LEU MD1 . . 3.510 3.176 3.140 3.194 . 0 0 "[ . 1 . 2]" 2
643 1 36 LYS HA 1 38 ARG H . . 5.080 4.689 4.345 5.006 . 0 0 "[ . 1 . 2]" 2
644 1 33 ASP HA 1 36 LYS HG3 . . 5.230 3.905 3.226 5.228 . 0 0 "[ . 1 . 2]" 2
645 1 36 LYS H 1 36 LYS HD2 . . 5.070 4.036 2.168 5.092 0.022 5 0 "[ . 1 . 2]" 2
646 1 36 LYS QB 1 36 LYS HD3 . . 3.690 2.619 2.113 3.274 . 0 0 "[ . 1 . 2]" 2
647 1 38 ARG HD2 1 41 HIS HD2 . . 5.360 4.832 4.050 5.357 . 0 0 "[ . 1 . 2]" 2
648 1 38 ARG HD3 1 41 HIS HD2 . . 5.360 4.943 4.516 5.362 0.002 4 0 "[ . 1 . 2]" 2
649 1 67 ARG HA 1 69 HIS H . . 4.860 4.039 3.425 4.717 . 0 0 "[ . 1 . 2]" 2
650 1 46 PRO HB3 1 47 TYR QD . . 5.340 4.986 4.608 5.343 0.003 3 0 "[ . 1 . 2]" 2
651 1 46 PRO HB2 1 47 TYR QD . . 5.340 3.936 3.408 4.433 . 0 0 "[ . 1 . 2]" 2
652 1 46 PRO HG2 1 47 TYR QD . . 4.920 2.368 1.991 2.906 . 0 0 "[ . 1 . 2]" 2
653 1 46 PRO HG2 1 47 TYR H . . 5.120 3.237 3.036 3.383 . 0 0 "[ . 1 . 2]" 2
654 1 46 PRO HG2 1 47 TYR QE . . 5.110 2.399 2.253 2.671 . 0 0 "[ . 1 . 2]" 2
655 1 46 PRO HD3 1 47 TYR H . . 4.300 4.005 3.943 4.057 . 0 0 "[ . 1 . 2]" 2
656 1 47 TYR HA 1 62 LEU MD2 . . 4.080 3.741 3.225 3.952 . 0 0 "[ . 1 . 2]" 2
657 1 59 ARG HA 1 63 ILE H . . 5.060 4.362 3.856 4.748 . 0 0 "[ . 1 . 2]" 2
658 1 60 SER HA 1 61 HIS HD2 . . 5.150 4.954 4.703 5.159 0.009 9 0 "[ . 1 . 2]" 2
659 1 60 SER QB 1 63 ILE H . . 5.190 4.730 4.497 5.056 . 0 0 "[ . 1 . 2]" 2
660 1 67 ARG H 1 67 ARG QB . . 3.790 2.292 2.114 2.551 . 0 0 "[ . 1 . 2]" 2
661 1 67 ARG H 1 67 ARG QD . . 4.860 3.896 2.424 4.462 . 0 0 "[ . 1 . 2]" 2
662 1 64 GLY QA 1 67 ARG QD . . 4.290 3.817 2.756 4.295 0.005 19 0 "[ . 1 . 2]" 2
663 1 15 GLU H 1 73 GLY HA2 . . 5.500 5.101 3.685 5.500 . 0 0 "[ . 1 . 2]" 2
664 1 15 GLU H 1 73 GLY HA3 . . 5.500 5.108 4.185 5.504 0.004 20 0 "[ . 1 . 2]" 2
665 1 49 CYS H 1 49 CYS HB3 . . 3.320 2.486 2.377 2.661 . 0 0 "[ . 1 . 2]" 2
666 1 54 LYS HA 1 54 LYS HD2 . . 5.400 4.267 2.308 4.586 . 0 0 "[ . 1 . 2]" 2
667 1 51 GLU QB 1 69 HIS HD2 . . 4.840 3.193 2.466 4.836 . 0 0 "[ . 1 . 2]" 2
668 1 20 LYS QD 1 21 CYS H . . 5.070 4.520 3.959 4.998 . 0 0 "[ . 1 . 2]" 2
669 1 20 LYS HA 1 20 LYS QD . . 5.010 3.992 3.761 4.127 . 0 0 "[ . 1 . 2]" 2
670 1 20 LYS QD 1 22 ASP HA . . 5.210 4.491 3.876 5.187 . 0 0 "[ . 1 . 2]" 2
671 1 57 ILE MD 1 61 HIS HE1 . . 4.430 3.864 2.188 4.432 0.002 4 0 "[ . 1 . 2]" 2
672 1 45 LYS HB3 1 55 ALA MB . . 3.960 2.850 1.963 3.415 . 0 0 "[ . 1 . 2]" 2
673 1 45 LYS HB2 1 55 ALA MB . . 3.960 2.469 1.962 3.255 . 0 0 "[ . 1 . 2]" 2
674 1 30 HIS HD2 1 32 SER QB . . 5.500 5.354 5.163 5.529 0.029 3 0 "[ . 1 . 2]" 2
675 1 66 HIS HB3 1 67 ARG H . . 5.500 3.440 2.750 3.676 . 0 0 "[ . 1 . 2]" 2
676 1 65 HIS HE1 1 68 VAL MG2 . . 3.920 3.318 2.439 3.930 0.010 4 0 "[ . 1 . 2]" 2
677 1 54 LYS H 1 56 PHE HZ . . 5.500 4.656 3.872 5.214 . 0 0 "[ . 1 . 2]" 2
678 1 28 PHE HZ 1 37 HIS HE1 . . 4.550 3.828 3.490 4.420 . 0 0 "[ . 1 . 2]" 2
679 1 56 PHE HZ 1 65 HIS HE1 . . 4.760 3.861 3.241 4.624 . 0 0 "[ . 1 . 2]" 2
680 1 62 LEU HG 1 66 HIS HE1 . . 5.010 2.201 2.001 2.648 . 0 0 "[ . 1 . 2]" 2
681 1 62 LEU HB2 1 66 HIS HE1 . . 5.020 4.849 4.501 5.019 . 0 0 "[ . 1 . 2]" 2
682 1 62 LEU MD1 1 66 HIS HE1 . . 4.970 3.016 1.965 4.138 . 0 0 "[ . 1 . 2]" 2
683 1 62 LEU MD2 1 66 HIS HE1 . . 4.890 2.161 1.916 2.646 . 0 0 "[ . 1 . 2]" 2
684 1 20 LYS HG3 1 22 ASP HA . . 5.500 5.153 4.682 5.502 0.002 4 0 "[ . 1 . 2]" 2
685 1 20 LYS HG2 1 22 ASP HA . . 5.000 3.585 3.220 4.117 . 0 0 "[ . 1 . 2]" 2
686 1 56 PHE HB3 1 61 HIS HB2 . . 4.300 2.198 1.999 2.553 . 0 0 "[ . 1 . 2]" 2
687 1 56 PHE HB3 1 61 HIS HB3 . . 4.300 2.629 2.055 3.519 . 0 0 "[ . 1 . 2]" 2
688 1 18 ARG QB 1 19 TYR QD . . 4.910 2.262 1.942 3.318 . 0 0 "[ . 1 . 2]" 2
689 1 18 ARG QB 1 19 TYR QE . . 5.340 3.126 2.359 3.769 . 0 0 "[ . 1 . 2]" 2
690 1 8 ARG HA 1 8 ARG QG . . 3.680 2.544 2.196 3.389 . 0 0 "[ . 1 . 2]" 2
691 1 8 ARG QB 1 8 ARG QD . . 3.240 2.278 2.040 2.708 . 0 0 "[ . 1 . 2]" 2
692 1 10 GLU HA 1 10 GLU QG . . 3.680 2.857 2.213 3.446 . 0 0 "[ . 1 . 2]" 2
693 1 10 GLU QB 1 10 GLU QG . . 2.340 2.029 1.978 2.086 . 0 0 "[ . 1 . 2]" 2
694 1 11 TRP HE3 1 12 GLN QB . . 4.850 3.744 1.917 4.840 . 0 0 "[ . 1 . 2]" 2
695 1 12 GLN H 1 73 GLY QA . . 4.890 4.583 3.744 4.906 0.016 8 0 "[ . 1 . 2]" 2
696 1 12 GLN HA 1 12 GLN QG . . 3.530 2.666 2.164 3.405 . 0 0 "[ . 1 . 2]" 2
697 1 12 GLN QB 1 12 GLN QG . . 2.340 2.038 1.980 2.086 . 0 0 "[ . 1 . 2]" 2
698 1 13 GLN H 1 73 GLY QA . . 4.700 3.645 1.883 4.699 . 0 0 "[ . 1 . 2]" 2
699 1 15 GLU HA 1 16 ARG QG . . 3.970 3.843 3.494 4.009 0.039 4 0 "[ . 1 . 2]" 2
700 1 16 ARG H 1 16 ARG QG . . 4.040 2.634 1.887 3.411 . 0 0 "[ . 1 . 2]" 2
701 1 16 ARG QB 1 16 ARG QD . . 3.430 2.207 2.052 2.445 . 0 0 "[ . 1 . 2]" 2
702 1 17 ARG HA 1 17 ARG QG . . 3.430 2.506 2.184 3.343 . 0 0 "[ . 1 . 2]" 2
703 1 17 ARG HA 1 17 ARG QD . . 4.230 3.127 2.105 4.242 0.012 17 0 "[ . 1 . 2]" 2
704 1 17 ARG QB 1 17 ARG QD . . 3.070 2.194 2.043 2.553 . 0 0 "[ . 1 . 2]" 2
705 1 17 ARG QB 1 18 ARG H . . 3.960 2.474 1.957 3.085 . 0 0 "[ . 1 . 2]" 2
706 1 17 ARG QB 1 28 PHE H . . 4.460 3.921 3.171 4.458 . 0 0 "[ . 1 . 2]" 2
707 1 17 ARG QD 1 27 SER QB . . 4.070 2.797 2.001 3.920 . 0 0 "[ . 1 . 2]" 2
708 1 18 ARG H 1 18 ARG QG . . 4.200 3.176 2.225 4.123 . 0 0 "[ . 1 . 2]" 2
709 1 18 ARG HA 1 18 ARG QG . . 3.430 2.447 2.164 2.844 . 0 0 "[ . 1 . 2]" 2
710 1 19 TYR QD 1 31 SER QB . . 4.270 3.353 2.885 3.623 . 0 0 "[ . 1 . 2]" 2
711 1 20 LYS H 1 20 LYS QB . . 3.080 2.700 2.463 2.915 . 0 0 "[ . 1 . 2]" 2
712 1 20 LYS QB 1 20 LYS QE . . 4.410 3.569 3.364 3.662 . 0 0 "[ . 1 . 2]" 2
713 1 20 LYS QB 1 21 CYS H . . 3.840 3.566 3.223 3.820 . 0 0 "[ . 1 . 2]" 2
714 1 20 LYS QB 1 27 SER HA . . 5.010 3.563 2.856 3.977 . 0 0 "[ . 1 . 2]" 2
715 1 20 LYS QB 1 27 SER QB . . 3.880 3.056 2.602 3.220 . 0 0 "[ . 1 . 2]" 2
716 1 21 CYS HB2 1 26 LYS QB . . 4.980 3.414 2.615 4.143 . 0 0 "[ . 1 . 2]" 2
717 1 21 CYS HB3 1 26 LYS QB . . 4.100 3.026 2.597 3.339 . 0 0 "[ . 1 . 2]" 2
718 1 22 ASP QB 1 23 GLU H . . 3.850 2.987 2.665 3.863 0.013 15 0 "[ . 1 . 2]" 2
719 1 23 GLU H 1 23 GLU QB . . 2.970 2.367 2.197 2.599 . 0 0 "[ . 1 . 2]" 2
720 1 23 GLU QB 1 41 HIS HE1 . . 3.900 3.453 2.731 3.897 . 0 0 "[ . 1 . 2]" 2
721 1 24 CYS H 1 24 CYS QB . . 3.450 2.980 2.807 3.087 . 0 0 "[ . 1 . 2]" 2
722 1 24 CYS QB 1 25 GLY H . . 4.300 3.180 3.040 3.289 . 0 0 "[ . 1 . 2]" 2
723 1 24 CYS QB 1 41 HIS HE1 . . 3.280 2.193 1.991 2.718 . 0 0 "[ . 1 . 2]" 2
724 1 26 LYS H 1 26 LYS QB . . 2.960 2.323 2.165 2.436 . 0 0 "[ . 1 . 2]" 2
725 1 26 LYS HA 1 26 LYS QG . . 3.330 2.242 2.134 2.323 . 0 0 "[ . 1 . 2]" 2
726 1 26 LYS HA 1 26 LYS QD . . 4.470 3.836 2.643 4.078 . 0 0 "[ . 1 . 2]" 2
727 1 26 LYS QB 1 27 SER H . . 3.300 3.010 2.267 3.306 0.006 19 0 "[ . 1 . 2]" 2
728 1 26 LYS QB 1 28 PHE QE . . 3.800 2.374 1.977 2.746 . 0 0 "[ . 1 . 2]" 2
729 1 26 LYS QE 1 26 LYS QG . . 3.290 2.186 2.049 2.380 . 0 0 "[ . 1 . 2]" 2
730 1 26 LYS QG 1 27 SER H . . 3.670 2.388 1.877 3.442 . 0 0 "[ . 1 . 2]" 2
731 1 26 LYS QD 1 28 PHE QE . . 4.750 3.386 2.817 4.290 . 0 0 "[ . 1 . 2]" 2
732 1 26 LYS QD 1 28 PHE HZ . . 4.020 2.653 1.998 3.957 . 0 0 "[ . 1 . 2]" 2
733 1 26 LYS QD 1 37 HIS HE1 . . 3.560 2.906 2.229 3.553 . 0 0 "[ . 1 . 2]" 2
734 1 28 PHE HB3 1 33 ASP QB . . 3.410 2.765 2.167 3.113 . 0 0 "[ . 1 . 2]" 2
735 1 28 PHE QD 1 33 ASP QB . . 3.380 2.767 2.124 3.233 . 0 0 "[ . 1 . 2]" 2
736 1 29 SER QB 1 30 HIS H . . 3.750 2.576 2.469 2.735 . 0 0 "[ . 1 . 2]" 2
737 1 30 HIS H 1 33 ASP QB . . 3.670 3.379 3.195 3.609 . 0 0 "[ . 1 . 2]" 2
738 1 31 SER QB 1 34 LEU HB3 . . 4.440 4.162 3.824 4.453 0.013 13 0 "[ . 1 . 2]" 2
739 1 33 ASP H 1 33 ASP QB . . 3.420 2.387 2.164 2.676 . 0 0 "[ . 1 . 2]" 2
740 1 33 ASP HA 1 36 LYS QG . . 4.410 3.554 2.849 4.361 . 0 0 "[ . 1 . 2]" 2
741 1 33 ASP HA 1 36 LYS QD . . 4.470 3.053 1.914 4.391 . 0 0 "[ . 1 . 2]" 2
742 1 33 ASP QB 1 34 LEU H . . 3.770 2.314 2.162 2.575 . 0 0 "[ . 1 . 2]" 2
743 1 33 ASP QB 1 36 LYS QB . . 5.340 4.532 4.256 5.001 . 0 0 "[ . 1 . 2]" 2
744 1 34 LEU MD1 1 38 ARG QD . . 3.090 2.059 1.800 2.752 . 0 0 "[ . 1 . 2]" 2
745 1 34 LEU MD2 1 38 ARG QD . . 4.630 3.425 2.921 3.797 . 0 0 "[ . 1 . 2]" 2
746 1 35 SER QB 1 36 LYS QG . . 4.570 3.458 2.976 4.630 0.060 20 0 "[ . 1 . 2]" 2
747 1 35 SER QB 1 36 LYS QD . . 5.340 4.786 2.390 5.291 . 0 0 "[ . 1 . 2]" 2
748 1 36 LYS H 1 36 LYS QG . . 3.390 2.416 2.045 3.161 . 0 0 "[ . 1 . 2]" 2
749 1 36 LYS HA 1 36 LYS QG . . 3.370 2.544 2.256 3.296 . 0 0 "[ . 1 . 2]" 2
750 1 36 LYS HA 1 39 ARG QB . . 4.420 3.794 2.988 4.033 . 0 0 "[ . 1 . 2]" 2
751 1 36 LYS HA 1 39 ARG QG . . 3.170 2.472 2.106 3.016 . 0 0 "[ . 1 . 2]" 2
752 1 36 LYS QD 1 36 LYS QG . . 2.350 2.065 2.023 2.092 . 0 0 "[ . 1 . 2]" 2
753 1 38 ARG H 1 38 ARG QD . . 4.010 2.398 1.888 4.114 0.104 16 0 "[ . 1 . 2]" 2
754 1 38 ARG HA 1 41 HIS QB . . 4.400 3.760 3.131 4.096 . 0 0 "[ . 1 . 2]" 2
755 1 38 ARG QD 1 41 HIS HD2 . . 4.630 4.294 3.936 4.617 . 0 0 "[ . 1 . 2]" 2
756 1 39 ARG H 1 39 ARG QB . . 3.070 2.504 2.364 2.640 . 0 0 "[ . 1 . 2]" 2
757 1 39 ARG H 1 39 ARG QG . . 3.190 2.121 1.885 2.366 . 0 0 "[ . 1 . 2]" 2
758 1 39 ARG HA 1 39 ARG QG . . 3.170 2.473 2.315 2.858 . 0 0 "[ . 1 . 2]" 2
759 1 39 ARG QB 1 39 ARG QD . . 3.200 2.284 2.050 2.601 . 0 0 "[ . 1 . 2]" 2
760 1 39 ARG QB 1 40 THR H . . 3.950 2.438 2.313 2.586 . 0 0 "[ . 1 . 2]" 2
761 1 39 ARG QB 1 40 THR MG . . 4.720 4.014 3.252 4.622 . 0 0 "[ . 1 . 2]" 2
762 1 39 ARG QG 1 40 THR H . . 4.830 3.997 3.808 4.172 . 0 0 "[ . 1 . 2]" 2
763 1 41 HIS H 1 41 HIS QB . . 3.320 2.441 2.266 2.606 . 0 0 "[ . 1 . 2]" 2
764 1 41 HIS QB 1 42 THR MG . . 4.650 3.931 2.475 4.657 0.007 3 0 "[ . 1 . 2]" 2
765 1 44 GLU QB 1 45 LYS H . . 4.360 2.882 1.972 3.963 . 0 0 "[ . 1 . 2]" 2
766 1 45 LYS H 1 45 LYS QG . . 3.990 3.210 2.012 3.837 . 0 0 "[ . 1 . 2]" 2
767 1 45 LYS HA 1 45 LYS QG . . 3.370 2.303 2.151 2.483 . 0 0 "[ . 1 . 2]" 2
768 1 45 LYS QB 1 46 PRO QD . . 3.850 3.030 2.133 3.797 . 0 0 "[ . 1 . 2]" 2
769 1 45 LYS QB 1 55 ALA MB . . 3.230 2.192 1.941 2.706 . 0 0 "[ . 1 . 2]" 2
770 1 45 LYS QB 1 56 PHE H . . 4.140 2.910 2.411 3.747 . 0 0 "[ . 1 . 2]" 2
771 1 45 LYS QG 1 46 PRO QD . . 4.160 3.183 2.456 3.943 . 0 0 "[ . 1 . 2]" 2
772 1 45 LYS QG 1 57 ILE HA . . 4.440 2.514 1.952 3.680 . 0 0 "[ . 1 . 2]" 2
773 1 45 LYS QG 1 57 ILE QG . . 4.150 2.450 1.864 3.993 . 0 0 "[ . 1 . 2]" 2
774 1 46 PRO QB 1 47 TYR QD . . 4.490 3.794 3.323 4.229 . 0 0 "[ . 1 . 2]" 2
775 1 46 PRO QG 1 47 TYR H . . 4.330 3.170 2.983 3.305 . 0 0 "[ . 1 . 2]" 2
776 1 46 PRO QG 1 47 TYR QD . . 4.040 2.349 1.983 2.866 . 0 0 "[ . 1 . 2]" 2
777 1 46 PRO QG 1 47 TYR QE . . 4.240 2.349 2.210 2.609 . 0 0 "[ . 1 . 2]" 2
778 1 46 PRO QD 1 47 TYR H . . 3.670 2.883 2.775 2.970 . 0 0 "[ . 1 . 2]" 2
779 1 46 PRO QD 1 47 TYR QD . . 3.960 3.004 2.719 3.320 . 0 0 "[ . 1 . 2]" 2
780 1 46 PRO QD 1 57 ILE HA . . 3.330 2.906 2.062 3.321 . 0 0 "[ . 1 . 2]" 2
781 1 46 PRO QD 1 57 ILE MG . . 4.820 3.710 2.817 4.133 . 0 0 "[ . 1 . 2]" 2
782 1 47 TYR H 1 48 LYS QB . . 5.340 4.362 4.145 4.602 . 0 0 "[ . 1 . 2]" 2
783 1 47 TYR QE 1 59 ARG QB . . 4.590 3.253 2.304 4.477 . 0 0 "[ . 1 . 2]" 2
784 1 47 TYR QE 1 59 ARG QG . . 4.550 3.303 1.999 4.370 . 0 0 "[ . 1 . 2]" 2
785 1 48 LYS H 1 48 LYS QB . . 3.110 2.831 2.655 2.945 . 0 0 "[ . 1 . 2]" 2
786 1 48 LYS QB 1 49 CYS H . . 4.190 3.630 3.378 3.889 . 0 0 "[ . 1 . 2]" 2
787 1 48 LYS QB 1 55 ALA HA . . 4.550 3.106 2.336 3.691 . 0 0 "[ . 1 . 2]" 2
788 1 48 LYS QG 1 53 GLY QA . . 4.170 3.453 2.897 4.142 . 0 0 "[ . 1 . 2]" 2
789 1 48 LYS QD 1 53 GLY QA . . 4.390 4.021 2.553 4.397 0.007 4 0 "[ . 1 . 2]" 2
790 1 48 LYS QE 1 53 GLY QA . . 3.900 3.071 2.086 3.908 0.008 8 0 "[ . 1 . 2]" 2
791 1 49 CYS HB2 1 54 LYS QB . . 5.260 4.284 3.490 4.813 . 0 0 "[ . 1 . 2]" 2
792 1 49 CYS HB3 1 54 LYS QB . . 4.270 3.454 3.071 3.700 . 0 0 "[ . 1 . 2]" 2
793 1 51 GLU H 1 51 GLU QG . . 3.780 2.342 1.915 3.255 . 0 0 "[ . 1 . 2]" 2
794 1 51 GLU HA 1 51 GLU QG . . 3.690 2.688 2.252 3.318 . 0 0 "[ . 1 . 2]" 2
795 1 52 CYS H 1 52 CYS QB . . 3.620 2.682 2.486 2.831 . 0 0 "[ . 1 . 2]" 2
796 1 52 CYS H 1 53 GLY QA . . 4.820 4.187 3.934 4.356 . 0 0 "[ . 1 . 2]" 2
797 1 52 CYS QB 1 65 HIS HE1 . . 3.060 3.023 2.908 3.074 0.014 4 0 "[ . 1 . 2]" 2
798 1 52 CYS QB 1 69 HIS HE1 . . 3.240 2.208 1.982 2.834 . 0 0 "[ . 1 . 2]" 2
799 1 54 LYS H 1 54 LYS QB . . 3.020 2.450 2.302 2.624 . 0 0 "[ . 1 . 2]" 2
800 1 54 LYS HA 1 54 LYS QG . . 3.670 2.359 2.152 2.566 . 0 0 "[ . 1 . 2]" 2
801 1 54 LYS HA 1 54 LYS QD . . 4.630 3.806 2.270 4.221 . 0 0 "[ . 1 . 2]" 2
802 1 54 LYS QB 1 55 ALA H . . 3.880 3.420 3.064 3.717 . 0 0 "[ . 1 . 2]" 2
803 1 54 LYS QB 1 56 PHE QE . . 4.010 2.821 2.312 3.205 . 0 0 "[ . 1 . 2]" 2
804 1 54 LYS QE 1 54 LYS QG . . 3.240 2.253 2.093 2.667 . 0 0 "[ . 1 . 2]" 2
805 1 54 LYS QG 1 56 PHE HZ . . 4.870 3.576 1.990 4.315 . 0 0 "[ . 1 . 2]" 2
806 1 54 LYS QD 1 56 PHE HZ . . 4.190 2.891 2.199 4.154 . 0 0 "[ . 1 . 2]" 2
807 1 56 PHE HB2 1 61 HIS QB . . 4.110 3.120 2.464 3.856 . 0 0 "[ . 1 . 2]" 2
808 1 56 PHE HB3 1 61 HIS QB . . 3.760 2.072 1.836 2.496 . 0 0 "[ . 1 . 2]" 2
809 1 56 PHE QD 1 61 HIS QB . . 3.720 2.332 1.968 3.090 . 0 0 "[ . 1 . 2]" 2
810 1 56 PHE QE 1 65 HIS QB . . 4.490 3.123 2.281 3.831 . 0 0 "[ . 1 . 2]" 2
811 1 56 PHE HZ 1 65 HIS QB . . 4.030 3.311 2.770 3.802 . 0 0 "[ . 1 . 2]" 2
812 1 57 ILE H 1 57 ILE QG . . 3.780 2.596 1.781 3.229 . 0 0 "[ . 1 . 2]" 2
813 1 57 ILE HA 1 57 ILE QG . . 3.560 2.444 2.233 3.197 . 0 0 "[ . 1 . 2]" 2
814 1 57 ILE QG 1 57 ILE MG . . 3.200 2.116 1.945 2.315 . 0 0 "[ . 1 . 2]" 2
815 1 57 ILE QG 1 58 GLN H . . 4.790 3.991 1.872 4.357 . 0 0 "[ . 1 . 2]" 2
816 1 58 GLN H 1 61 HIS QB . . 4.220 3.354 2.795 3.673 . 0 0 "[ . 1 . 2]" 2
817 1 59 ARG HA 1 59 ARG QG . . 3.390 2.640 2.156 3.339 . 0 0 "[ . 1 . 2]" 2
818 1 59 ARG QB 1 59 ARG QD . . 3.440 2.225 2.046 2.598 . 0 0 "[ . 1 . 2]" 2
819 1 59 ARG QG 1 63 ILE MD . . 3.940 2.721 1.866 3.923 . 0 0 "[ . 1 . 2]" 2
820 1 60 SER HA 1 63 ILE QG . . 4.250 2.432 1.819 3.145 . 0 0 "[ . 1 . 2]" 2
821 1 61 HIS H 1 61 HIS QB . . 3.320 2.520 2.303 2.699 . 0 0 "[ . 1 . 2]" 2
822 1 61 HIS QB 1 62 LEU H . . 3.830 2.675 2.434 2.898 . 0 0 "[ . 1 . 2]" 2
823 1 62 LEU H 1 63 ILE QG . . 3.810 3.711 3.464 3.814 0.004 4 0 "[ . 1 . 2]" 2
824 1 62 LEU HA 1 65 HIS QB . . 4.090 2.168 1.984 2.521 . 0 0 "[ . 1 . 2]" 2
825 1 62 LEU MD1 1 65 HIS QB . . 4.580 2.883 2.492 3.284 . 0 0 "[ . 1 . 2]" 2
826 1 63 ILE H 1 63 ILE QG . . 3.150 1.965 1.883 2.087 . 0 0 "[ . 1 . 2]" 2
827 1 63 ILE HA 1 63 ILE QG . . 3.330 2.528 2.312 2.997 . 0 0 "[ . 1 . 2]" 2
828 1 65 HIS H 1 65 HIS QB . . 3.030 2.213 2.169 2.280 . 0 0 "[ . 1 . 2]" 2
829 1 65 HIS HA 1 68 VAL QG . . 3.920 2.807 1.853 3.666 . 0 0 "[ . 1 . 2]" 2
830 1 65 HIS QB 1 66 HIS H . . 3.790 2.702 2.436 2.979 . 0 0 "[ . 1 . 2]" 2
831 1 65 HIS HE1 1 68 VAL QG . . 3.350 2.655 2.183 3.264 . 0 0 "[ . 1 . 2]" 2
832 1 68 VAL H 1 68 VAL QG . . 3.180 2.115 1.814 2.666 . 0 0 "[ . 1 . 2]" 2
833 1 68 VAL HA 1 68 VAL QG . . 3.080 2.206 2.022 2.362 . 0 0 "[ . 1 . 2]" 2
834 1 68 VAL QG 1 69 HIS H . . 4.170 2.377 1.770 3.245 . 0 0 "[ . 1 . 2]" 2
835 1 73 GLY QA 1 74 PRO QD . . 3.170 1.993 1.845 2.285 . 0 0 "[ . 1 . 2]" 2
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