NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
509253 |
2ytj   |
10309 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ytj
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 12
_Distance_constraint_stats_list.Viol_count 18
_Distance_constraint_stats_list.Viol_total 0.295
_Distance_constraint_stats_list.Viol_max 0.003
_Distance_constraint_stats_list.Viol_rms 0.0003
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0008
_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 15 CYS 0.007 0.001 14 0 "[ . 1 . 2]"
1 18 CYS 0.002 0.001 19 0 "[ . 1 . 2]"
1 31 HIS 0.005 0.003 17 0 "[ . 1 . 2]"
1 35 HIS 0.005 0.003 17 0 "[ . 1 . 2]"
2 1 ZN 0.010 0.001 14 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 15 CYS SG 2 1 ZN ZN . 2.190 2.390 2.332 2.189 2.391 0.001 14 0 "[ . 1 . 2]" 1
2 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.254 2.190 2.376 . 0 0 "[ . 1 . 2]" 1
3 1 31 HIS NE2 2 1 ZN ZN . . 2.100 2.059 1.906 2.101 0.001 5 0 "[ . 1 . 2]" 1
4 1 35 HIS NE2 2 1 ZN ZN . . 2.100 2.026 1.902 2.100 0.000 7 0 "[ . 1 . 2]" 1
5 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.396 3.249 3.510 0.001 20 0 "[ . 1 . 2]" 1
6 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.428 3.250 3.511 0.001 19 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.729 3.564 3.956 . 0 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.546 3.321 3.700 . 0 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.568 3.319 3.718 0.001 13 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.472 3.320 3.710 0.000 3 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.553 3.341 3.720 0.000 6 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.314 3.001 3.603 0.003 17 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 422
_Distance_constraint_stats_list.Viol_count 61
_Distance_constraint_stats_list.Viol_total 15.801
_Distance_constraint_stats_list.Viol_max 0.121
_Distance_constraint_stats_list.Viol_rms 0.0021
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0130
_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 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PRO 0.002 0.002 15 0 "[ . 1 . 2]"
1 13 TYR 0.009 0.003 20 0 "[ . 1 . 2]"
1 14 ILE 0.001 0.001 11 0 "[ . 1 . 2]"
1 15 CYS 0.001 0.001 11 0 "[ . 1 . 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 0.037 0.026 8 0 "[ . 1 . 2]"
1 18 CYS 0.002 0.002 20 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LYS 0.001 0.001 11 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PHE 0.004 0.003 14 0 "[ . 1 . 2]"
1 23 THR 0.093 0.079 20 0 "[ . 1 . 2]"
1 24 ILE 0.143 0.079 20 0 "[ . 1 . 2]"
1 25 ARG 0.012 0.007 14 0 "[ . 1 . 2]"
1 26 SER 0.061 0.038 16 0 "[ . 1 . 2]"
1 27 ASN 0.033 0.012 14 0 "[ . 1 . 2]"
1 28 LEU 0.034 0.021 16 0 "[ . 1 . 2]"
1 29 ILE 0.223 0.038 16 0 "[ . 1 . 2]"
1 30 LYS 0.287 0.121 18 0 "[ . 1 . 2]"
1 31 HIS 0.029 0.017 6 0 "[ . 1 . 2]"
1 32 GLN 0.018 0.017 19 0 "[ . 1 . 2]"
1 33 LYS 0.041 0.031 17 0 "[ . 1 . 2]"
1 34 ILE 0.074 0.017 3 0 "[ . 1 . 2]"
1 35 HIS 0.003 0.002 20 0 "[ . 1 . 2]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 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 10 GLU HA 1 11 LYS H . . 3.330 2.409 2.139 2.817 . 0 0 "[ . 1 . 2]" 2
2 1 11 LYS H 1 12 PRO QD . . 4.840 3.881 2.293 4.374 . 0 0 "[ . 1 . 2]" 2
3 1 28 LEU MD1 1 32 GLN HE22 . . 5.500 4.394 3.204 5.437 . 0 0 "[ . 1 . 2]" 2
4 1 28 LEU MD1 1 32 GLN HE21 . . 5.500 3.416 1.903 4.621 . 0 0 "[ . 1 . 2]" 2
5 1 24 ILE HA 1 25 ARG H . . 3.350 2.190 2.140 2.316 . 0 0 "[ . 1 . 2]" 2
6 1 24 ILE HB 1 25 ARG H . . 4.770 3.999 3.528 4.298 . 0 0 "[ . 1 . 2]" 2
7 1 25 ARG H 1 25 ARG HB2 . . 3.850 2.722 2.294 3.594 . 0 0 "[ . 1 . 2]" 2
8 1 24 ILE MG 1 25 ARG H . . 4.380 2.477 1.924 3.073 . 0 0 "[ . 1 . 2]" 2
9 1 25 ARG H 1 25 ARG HB3 . . 3.850 2.612 2.177 3.506 . 0 0 "[ . 1 . 2]" 2
10 1 13 TYR QE 1 25 ARG H . . 4.620 3.053 1.994 3.819 . 0 0 "[ . 1 . 2]" 2
11 1 15 CYS H 1 20 LYS H . . 4.700 3.194 2.332 4.441 . 0 0 "[ . 1 . 2]" 2
12 1 15 CYS H 1 21 ALA HA . . 4.060 3.558 3.040 3.869 . 0 0 "[ . 1 . 2]" 2
13 1 14 ILE HA 1 15 CYS H . . 3.010 2.157 2.139 2.221 . 0 0 "[ . 1 . 2]" 2
14 1 15 CYS H 1 15 CYS HB3 . . 3.310 2.561 2.266 2.728 . 0 0 "[ . 1 . 2]" 2
15 1 15 CYS H 1 15 CYS HB2 . . 3.420 2.540 2.353 2.921 . 0 0 "[ . 1 . 2]" 2
16 1 15 CYS H 1 28 LEU MD1 . . 4.400 2.866 2.394 3.456 . 0 0 "[ . 1 . 2]" 2
17 1 26 SER HB2 1 27 ASN H . . 5.170 3.304 2.467 3.902 . 0 0 "[ . 1 . 2]" 2
18 1 26 SER HB3 1 27 ASN H . . 5.170 3.073 2.228 3.949 . 0 0 "[ . 1 . 2]" 2
19 1 27 ASN H 1 27 ASN HB2 . . 3.880 2.321 2.185 2.562 . 0 0 "[ . 1 . 2]" 2
20 1 27 ASN H 1 27 ASN HB3 . . 3.880 3.351 2.745 3.600 . 0 0 "[ . 1 . 2]" 2
21 1 24 ILE HB 1 27 ASN H . . 4.130 2.312 2.125 2.705 . 0 0 "[ . 1 . 2]" 2
22 1 24 ILE MG 1 27 ASN H . . 3.640 2.571 1.869 3.047 . 0 0 "[ . 1 . 2]" 2
23 1 31 HIS H 1 31 HIS HB2 . . 3.260 2.820 2.473 3.152 . 0 0 "[ . 1 . 2]" 2
24 1 31 HIS H 1 31 HIS HB3 . . 3.260 2.330 2.196 2.619 . 0 0 "[ . 1 . 2]" 2
25 1 30 LYS QB 1 31 HIS H . . 3.560 2.903 2.109 3.561 0.001 6 0 "[ . 1 . 2]" 2
26 1 26 SER HA 1 29 ILE H . . 4.070 3.149 2.985 3.592 . 0 0 "[ . 1 . 2]" 2
27 1 29 ILE H 1 29 ILE HB . . 3.230 2.566 2.387 2.711 . 0 0 "[ . 1 . 2]" 2
28 1 28 LEU HG 1 29 ILE H . . 4.270 3.430 2.814 3.940 . 0 0 "[ . 1 . 2]" 2
29 1 29 ILE H 1 29 ILE HG13 . . 3.810 2.569 1.983 3.546 . 0 0 "[ . 1 . 2]" 2
30 1 28 LEU MD1 1 29 ILE H . . 5.050 4.391 3.878 4.718 . 0 0 "[ . 1 . 2]" 2
31 1 29 ILE H 1 29 ILE MG . . 4.050 3.765 3.732 3.794 . 0 0 "[ . 1 . 2]" 2
32 1 29 ILE H 1 29 ILE MD . . 4.350 3.229 1.838 3.755 . 0 0 "[ . 1 . 2]" 2
33 1 29 ILE H 1 32 GLN QG . . 5.500 4.864 3.920 5.517 0.017 19 0 "[ . 1 . 2]" 2
34 1 13 TYR H 1 13 TYR QD . . 3.790 3.178 2.196 3.555 . 0 0 "[ . 1 . 2]" 2
35 1 11 LYS HA 1 13 TYR H . . 4.720 3.636 2.976 4.105 . 0 0 "[ . 1 . 2]" 2
36 1 13 TYR H 1 23 THR HA . . 5.360 4.433 3.416 5.217 . 0 0 "[ . 1 . 2]" 2
37 1 13 TYR H 1 13 TYR HB2 . . 3.480 2.805 2.536 3.022 . 0 0 "[ . 1 . 2]" 2
38 1 12 PRO HB3 1 13 TYR H . . 4.550 4.358 4.131 4.509 . 0 0 "[ . 1 . 2]" 2
39 1 12 PRO QD 1 13 TYR H . . 3.940 2.757 2.601 2.959 . 0 0 "[ . 1 . 2]" 2
40 1 12 PRO HB2 1 13 TYR H . . 4.550 3.709 3.317 3.974 . 0 0 "[ . 1 . 2]" 2
41 1 24 ILE H 1 24 ILE MG . . 4.600 3.817 3.741 3.873 . 0 0 "[ . 1 . 2]" 2
42 1 27 ASN HA 1 30 LYS H . . 4.010 3.936 3.760 4.015 0.005 14 0 "[ . 1 . 2]" 2
43 1 29 ILE HB 1 30 LYS H . . 3.320 2.548 2.281 2.898 . 0 0 "[ . 1 . 2]" 2
44 1 29 ILE MG 1 30 LYS H . . 4.130 3.330 2.920 3.668 . 0 0 "[ . 1 . 2]" 2
45 1 23 THR H 1 24 ILE H . . 4.570 2.278 1.970 2.559 . 0 0 "[ . 1 . 2]" 2
46 1 23 THR HB 1 24 ILE H . . 3.930 3.016 2.259 4.009 0.079 20 0 "[ . 1 . 2]" 2
47 1 22 PHE HB3 1 24 ILE H . . 3.730 3.244 2.955 3.592 . 0 0 "[ . 1 . 2]" 2
48 1 24 ILE H 1 27 ASN HB2 . . 4.830 2.920 2.646 3.491 . 0 0 "[ . 1 . 2]" 2
49 1 24 ILE H 1 27 ASN HB3 . . 4.830 3.692 2.731 4.415 . 0 0 "[ . 1 . 2]" 2
50 1 24 ILE H 1 24 ILE HB . . 3.650 2.661 2.417 2.781 . 0 0 "[ . 1 . 2]" 2
51 1 24 ILE H 1 24 ILE HG12 . . 4.220 3.337 2.710 3.861 . 0 0 "[ . 1 . 2]" 2
52 1 24 ILE H 1 24 ILE HG13 . . 4.220 2.432 1.901 4.044 . 0 0 "[ . 1 . 2]" 2
53 1 34 ILE HB 1 35 HIS H . . 4.470 4.159 3.984 4.352 . 0 0 "[ . 1 . 2]" 2
54 1 34 ILE HG12 1 35 HIS H . . 4.610 3.452 2.628 4.286 . 0 0 "[ . 1 . 2]" 2
55 1 34 ILE MG 1 35 HIS H . . 4.280 3.912 3.755 4.064 . 0 0 "[ . 1 . 2]" 2
56 1 35 HIS H 1 36 THR H . . 4.060 2.375 2.134 2.698 . 0 0 "[ . 1 . 2]" 2
57 1 35 HIS H 1 35 HIS HD2 . . 4.370 3.597 2.423 4.246 . 0 0 "[ . 1 . 2]" 2
58 1 32 GLN HA 1 35 HIS H . . 4.230 3.462 3.112 3.931 . 0 0 "[ . 1 . 2]" 2
59 1 35 HIS H 1 35 HIS HB2 . . 3.920 2.387 2.204 2.558 . 0 0 "[ . 1 . 2]" 2
60 1 35 HIS H 1 35 HIS HB3 . . 3.920 3.600 3.490 3.718 . 0 0 "[ . 1 . 2]" 2
61 1 34 ILE HG13 1 35 HIS H . . 4.610 2.571 2.299 4.443 . 0 0 "[ . 1 . 2]" 2
62 1 21 ALA MB 1 22 PHE H . . 3.660 2.939 2.478 3.264 . 0 0 "[ . 1 . 2]" 2
63 1 22 PHE H 1 28 LEU MD1 . . 5.500 4.507 3.653 5.098 . 0 0 "[ . 1 . 2]" 2
64 1 22 PHE H 1 28 LEU MD2 . . 5.500 4.989 4.574 5.489 . 0 0 "[ . 1 . 2]" 2
65 1 16 ALA H 1 17 GLU H . . 4.200 2.760 1.972 3.224 . 0 0 "[ . 1 . 2]" 2
66 1 15 CYS HA 1 17 GLU H . . 4.640 3.745 3.480 4.257 . 0 0 "[ . 1 . 2]" 2
67 1 17 GLU H 1 17 GLU HG3 . . 4.520 3.647 2.480 4.520 . 0 0 "[ . 1 . 2]" 2
68 1 17 GLU H 1 17 GLU HG2 . . 4.520 3.173 1.965 4.512 . 0 0 "[ . 1 . 2]" 2
69 1 16 ALA MB 1 17 GLU H . . 3.980 3.016 2.384 3.687 . 0 0 "[ . 1 . 2]" 2
70 1 17 GLU H 1 17 GLU HB3 . . 3.720 3.627 3.535 3.746 0.026 8 0 "[ . 1 . 2]" 2
71 1 33 LYS H 1 34 ILE H . . 3.570 2.821 2.491 2.967 . 0 0 "[ . 1 . 2]" 2
72 1 22 PHE H 1 22 PHE QD . . 3.440 3.094 2.448 3.422 . 0 0 "[ . 1 . 2]" 2
73 1 21 ALA HA 1 22 PHE H . . 3.060 2.217 2.141 2.410 . 0 0 "[ . 1 . 2]" 2
74 1 14 ILE HA 1 22 PHE H . . 3.900 3.338 2.623 3.780 . 0 0 "[ . 1 . 2]" 2
75 1 22 PHE H 1 22 PHE HB2 . . 3.670 2.715 2.557 2.906 . 0 0 "[ . 1 . 2]" 2
76 1 13 TYR H 1 22 PHE H . . 4.160 3.861 3.504 4.161 0.001 11 0 "[ . 1 . 2]" 2
77 1 13 TYR HB2 1 22 PHE H . . 4.260 3.368 2.806 4.035 . 0 0 "[ . 1 . 2]" 2
78 1 32 GLN H 1 33 LYS H . . 3.540 2.838 2.693 2.923 . 0 0 "[ . 1 . 2]" 2
79 1 33 LYS H 1 33 LYS HB3 . . 3.800 3.328 2.270 3.598 . 0 0 "[ . 1 . 2]" 2
80 1 33 LYS H 1 33 LYS HG3 . . 4.070 3.154 2.351 4.001 . 0 0 "[ . 1 . 2]" 2
81 1 33 LYS H 1 33 LYS HG2 . . 4.070 2.839 2.097 3.759 . 0 0 "[ . 1 . 2]" 2
82 1 32 GLN HA 1 34 ILE H . . 4.630 4.175 3.351 4.535 . 0 0 "[ . 1 . 2]" 2
83 1 34 ILE H 1 35 HIS H . . 3.410 2.674 2.397 2.881 . 0 0 "[ . 1 . 2]" 2
84 1 34 ILE H 1 34 ILE HG12 . . 3.970 2.788 2.392 3.853 . 0 0 "[ . 1 . 2]" 2
85 1 34 ILE H 1 34 ILE HG13 . . 3.970 3.039 2.430 3.934 . 0 0 "[ . 1 . 2]" 2
86 1 34 ILE H 1 34 ILE MG . . 3.500 1.964 1.863 2.184 . 0 0 "[ . 1 . 2]" 2
87 1 13 TYR HB3 1 14 ILE H . . 4.460 3.275 2.944 3.690 . 0 0 "[ . 1 . 2]" 2
88 1 13 TYR HA 1 14 ILE H . . 2.960 2.165 2.138 2.228 . 0 0 "[ . 1 . 2]" 2
89 1 14 ILE H 1 14 ILE HB . . 3.360 2.796 2.676 2.894 . 0 0 "[ . 1 . 2]" 2
90 1 14 ILE H 1 14 ILE MG . . 4.360 3.893 3.849 3.932 . 0 0 "[ . 1 . 2]" 2
91 1 20 LYS HA 1 21 ALA H . . 2.820 2.367 2.170 2.654 . 0 0 "[ . 1 . 2]" 2
92 1 20 LYS HB2 1 21 ALA H . . 4.340 3.969 3.322 4.320 . 0 0 "[ . 1 . 2]" 2
93 1 20 LYS HG3 1 21 ALA H . . 4.510 3.280 1.900 4.480 . 0 0 "[ . 1 . 2]" 2
94 1 21 ALA H 1 21 ALA MB . . 3.160 2.356 2.149 2.619 . 0 0 "[ . 1 . 2]" 2
95 1 20 LYS HG2 1 21 ALA H . . 4.510 3.055 1.941 4.344 . 0 0 "[ . 1 . 2]" 2
96 1 31 HIS H 1 32 GLN H . . 3.590 2.708 2.220 3.035 . 0 0 "[ . 1 . 2]" 2
97 1 28 LEU HA 1 32 GLN H . . 4.650 4.300 3.756 4.621 . 0 0 "[ . 1 . 2]" 2
98 1 32 GLN H 1 32 GLN QG . . 3.410 2.377 2.006 3.315 . 0 0 "[ . 1 . 2]" 2
99 1 32 GLN H 1 32 GLN HB3 . . 3.940 3.586 3.509 3.616 . 0 0 "[ . 1 . 2]" 2
100 1 32 GLN H 1 32 GLN HB2 . . 3.940 2.450 2.210 2.668 . 0 0 "[ . 1 . 2]" 2
101 1 31 HIS HB2 1 32 GLN H . . 4.370 3.940 3.723 4.162 . 0 0 "[ . 1 . 2]" 2
102 1 31 HIS HD2 1 32 GLN H . . 4.350 3.211 2.490 3.791 . 0 0 "[ . 1 . 2]" 2
103 1 28 LEU H 1 29 ILE H . . 3.370 2.502 2.242 2.998 . 0 0 "[ . 1 . 2]" 2
104 1 28 LEU H 1 30 LYS H . . 4.700 4.156 3.784 4.493 . 0 0 "[ . 1 . 2]" 2
105 1 28 LEU H 1 28 LEU HB2 . . 3.600 2.815 2.653 2.963 . 0 0 "[ . 1 . 2]" 2
106 1 28 LEU H 1 29 ILE HB . . 4.910 4.654 4.460 4.872 . 0 0 "[ . 1 . 2]" 2
107 1 28 LEU H 1 28 LEU HG . . 4.490 4.304 4.206 4.416 . 0 0 "[ . 1 . 2]" 2
108 1 28 LEU H 1 28 LEU HB3 . . 3.600 2.303 2.216 2.418 . 0 0 "[ . 1 . 2]" 2
109 1 22 PHE HB2 1 28 LEU H . . 4.770 4.158 3.622 4.659 . 0 0 "[ . 1 . 2]" 2
110 1 24 ILE MG 1 28 LEU H . . 4.850 4.620 3.986 4.871 0.021 16 0 "[ . 1 . 2]" 2
111 1 28 LEU H 1 28 LEU MD1 . . 5.430 4.261 4.119 4.391 . 0 0 "[ . 1 . 2]" 2
112 1 28 LEU H 1 28 LEU MD2 . . 5.430 4.143 4.029 4.249 . 0 0 "[ . 1 . 2]" 2
113 1 18 CYS H 1 19 GLY H . . 3.000 2.107 1.912 2.255 . 0 0 "[ . 1 . 2]" 2
114 1 15 CYS HB3 1 18 CYS H . . 3.990 3.445 3.031 3.936 . 0 0 "[ . 1 . 2]" 2
115 1 17 GLU HB2 1 18 CYS H . . 4.280 2.538 2.034 2.923 . 0 0 "[ . 1 . 2]" 2
116 1 17 GLU H 1 18 CYS H . . 3.390 2.659 1.800 3.205 . 0 0 "[ . 1 . 2]" 2
117 1 15 CYS HB2 1 20 LYS H . . 4.140 3.561 3.061 4.082 . 0 0 "[ . 1 . 2]" 2
118 1 36 THR H 1 36 THR HB . . 4.190 3.205 2.321 3.748 . 0 0 "[ . 1 . 2]" 2
119 1 15 CYS HB3 1 20 LYS H . . 3.510 2.042 1.899 2.755 . 0 0 "[ . 1 . 2]" 2
120 1 20 LYS H 1 20 LYS HB2 . . 3.760 2.473 2.193 2.795 . 0 0 "[ . 1 . 2]" 2
121 1 20 LYS H 1 20 LYS HB3 . . 3.760 3.052 2.554 3.620 . 0 0 "[ . 1 . 2]" 2
122 1 20 LYS H 1 20 LYS HG2 . . 5.040 4.405 3.096 4.769 . 0 0 "[ . 1 . 2]" 2
123 1 15 CYS HB3 1 19 GLY H . . 3.910 2.693 2.333 2.958 . 0 0 "[ . 1 . 2]" 2
124 1 15 CYS HB2 1 19 GLY H . . 4.640 4.372 4.047 4.633 . 0 0 "[ . 1 . 2]" 2
125 1 15 CYS H 1 28 LEU MD2 . . 4.400 3.992 3.568 4.395 . 0 0 "[ . 1 . 2]" 2
126 1 28 LEU MD2 1 29 ILE H . . 5.050 4.015 3.347 4.566 . 0 0 "[ . 1 . 2]" 2
127 1 28 LEU MD2 1 32 GLN HE22 . . 5.500 3.871 1.977 5.003 . 0 0 "[ . 1 . 2]" 2
128 1 22 PHE QD 1 28 LEU MD2 . . 4.130 3.784 3.223 4.122 . 0 0 "[ . 1 . 2]" 2
129 1 28 LEU MD2 1 32 GLN HE21 . . 5.500 3.477 2.365 4.308 . 0 0 "[ . 1 . 2]" 2
130 1 14 ILE HA 1 28 LEU MD2 . . 4.840 4.177 3.725 4.542 . 0 0 "[ . 1 . 2]" 2
131 1 15 CYS HA 1 28 LEU MD2 . . 4.770 3.251 2.589 3.919 . 0 0 "[ . 1 . 2]" 2
132 1 28 LEU MD2 1 29 ILE HA . . 5.270 4.402 3.828 4.857 . 0 0 "[ . 1 . 2]" 2
133 1 14 ILE HA 1 21 ALA MB . . 4.150 3.796 3.201 4.110 . 0 0 "[ . 1 . 2]" 2
134 1 23 THR HA 1 23 THR MG . . 3.520 2.470 2.140 3.202 . 0 0 "[ . 1 . 2]" 2
135 1 20 LYS HA 1 21 ALA MB . . 4.220 3.852 3.748 3.954 . 0 0 "[ . 1 . 2]" 2
136 1 12 PRO QD 1 23 THR MG . . 4.720 4.031 3.048 4.721 0.001 20 0 "[ . 1 . 2]" 2
137 1 18 CYS HB2 1 35 HIS HE1 . . 3.920 3.742 3.154 3.922 0.002 20 0 "[ . 1 . 2]" 2
138 1 18 CYS HB3 1 35 HIS HE1 . . 3.920 2.127 2.008 2.305 . 0 0 "[ . 1 . 2]" 2
139 1 14 ILE MG 1 19 GLY HA2 . . 4.230 2.881 2.566 3.055 . 0 0 "[ . 1 . 2]" 2
140 1 20 LYS HD2 1 31 HIS HE1 . . 4.360 3.159 2.229 4.313 . 0 0 "[ . 1 . 2]" 2
141 1 42 GLY HA3 1 43 PRO QD . . 3.920 2.447 1.956 3.458 . 0 0 "[ . 1 . 2]" 2
142 1 25 ARG HB2 1 25 ARG QD . . 3.870 2.458 2.152 2.879 . 0 0 "[ . 1 . 2]" 2
143 1 25 ARG HB3 1 25 ARG QD . . 3.870 2.734 2.142 3.444 . 0 0 "[ . 1 . 2]" 2
144 1 22 PHE HB2 1 24 ILE H . . 4.820 4.611 4.457 4.776 . 0 0 "[ . 1 . 2]" 2
145 1 22 PHE HB3 1 28 LEU H . . 4.810 3.706 3.433 4.086 . 0 0 "[ . 1 . 2]" 2
146 1 22 PHE HB3 1 27 ASN HB2 . . 4.830 3.389 2.640 4.439 . 0 0 "[ . 1 . 2]" 2
147 1 22 PHE HB3 1 28 LEU HA . . 4.900 4.035 3.727 4.586 . 0 0 "[ . 1 . 2]" 2
148 1 13 TYR HB2 1 22 PHE HB3 . . 4.430 3.908 3.238 4.328 . 0 0 "[ . 1 . 2]" 2
149 1 22 PHE HB2 1 28 LEU MD1 . . 5.410 3.294 2.637 4.026 . 0 0 "[ . 1 . 2]" 2
150 1 22 PHE HB2 1 28 LEU MD2 . . 5.410 3.736 3.305 4.302 . 0 0 "[ . 1 . 2]" 2
151 1 24 ILE MG 1 26 SER H . . 5.050 1.999 1.857 2.233 . 0 0 "[ . 1 . 2]" 2
152 1 24 ILE MG 1 26 SER HB2 . . 4.850 3.055 1.967 4.450 . 0 0 "[ . 1 . 2]" 2
153 1 24 ILE MG 1 26 SER HB3 . . 4.850 3.121 2.271 3.842 . 0 0 "[ . 1 . 2]" 2
154 1 12 PRO QD 1 23 THR HA . . 3.920 2.926 2.112 3.773 . 0 0 "[ . 1 . 2]" 2
155 1 14 ILE MG 1 15 CYS H . . 3.770 2.547 2.131 2.903 . 0 0 "[ . 1 . 2]" 2
156 1 14 ILE MG 1 19 GLY H . . 4.440 4.199 3.974 4.358 . 0 0 "[ . 1 . 2]" 2
157 1 14 ILE MG 1 21 ALA HA . . 4.650 3.238 2.460 3.738 . 0 0 "[ . 1 . 2]" 2
158 1 14 ILE HA 1 14 ILE MG . . 3.630 2.418 2.341 2.463 . 0 0 "[ . 1 . 2]" 2
159 1 14 ILE MG 1 19 GLY HA3 . . 4.230 4.109 3.814 4.228 . 0 0 "[ . 1 . 2]" 2
160 1 14 ILE MG 1 15 CYS HB3 . . 4.770 3.844 3.631 4.165 . 0 0 "[ . 1 . 2]" 2
161 1 29 ILE HG12 1 29 ILE MG . . 3.530 2.537 2.066 3.202 . 0 0 "[ . 1 . 2]" 2
162 1 29 ILE HG13 1 29 ILE MG . . 3.530 2.923 2.323 3.202 . 0 0 "[ . 1 . 2]" 2
163 1 14 ILE MG 1 21 ALA MB . . 4.260 3.458 2.932 3.913 . 0 0 "[ . 1 . 2]" 2
164 1 29 ILE HA 1 32 GLN H . . 4.370 3.642 3.118 3.978 . 0 0 "[ . 1 . 2]" 2
165 1 28 LEU H 1 29 ILE HA . . 5.500 5.112 4.851 5.491 . 0 0 "[ . 1 . 2]" 2
166 1 29 ILE HA 1 32 GLN QG . . 4.220 3.166 2.101 4.012 . 0 0 "[ . 1 . 2]" 2
167 1 29 ILE HA 1 29 ILE HG12 . . 3.710 2.791 2.358 3.446 . 0 0 "[ . 1 . 2]" 2
168 1 29 ILE HA 1 29 ILE HG13 . . 3.710 3.066 2.221 3.742 0.032 4 0 "[ . 1 . 2]" 2
169 1 28 LEU MD1 1 29 ILE HA . . 5.270 4.549 3.974 5.127 . 0 0 "[ . 1 . 2]" 2
170 1 29 ILE HA 1 29 ILE MG . . 3.380 2.428 2.352 2.489 . 0 0 "[ . 1 . 2]" 2
171 1 31 HIS HE1 1 34 ILE MG . . 4.500 4.260 3.641 4.500 0.000 14 0 "[ . 1 . 2]" 2
172 1 12 PRO HA 1 13 TYR H . . 3.530 3.408 3.292 3.527 . 0 0 "[ . 1 . 2]" 2
173 1 12 PRO HA 1 13 TYR QD . . 5.110 4.951 4.656 5.112 0.002 15 0 "[ . 1 . 2]" 2
174 1 22 PHE QD 1 28 LEU HB3 . . 4.710 4.448 4.067 4.684 . 0 0 "[ . 1 . 2]" 2
175 1 13 TYR HB2 1 28 LEU HB3 . . 4.890 4.499 3.702 4.893 0.003 20 0 "[ . 1 . 2]" 2
176 1 34 ILE HA 1 34 ILE MG . . 3.340 2.452 2.335 2.570 . 0 0 "[ . 1 . 2]" 2
177 1 13 TYR HA 1 13 TYR QD . . 3.520 2.684 2.237 3.032 . 0 0 "[ . 1 . 2]" 2
178 1 12 PRO QD 1 13 TYR QD . . 4.180 3.652 2.689 4.177 . 0 0 "[ . 1 . 2]" 2
179 1 13 TYR QD 1 23 THR HA . . 4.440 3.438 2.836 4.276 . 0 0 "[ . 1 . 2]" 2
180 1 36 THR HA 1 36 THR MG . . 3.600 2.512 2.146 3.191 . 0 0 "[ . 1 . 2]" 2
181 1 21 ALA HA 1 22 PHE QD . . 4.150 3.472 2.576 4.081 . 0 0 "[ . 1 . 2]" 2
182 1 22 PHE QD 1 27 ASN HB2 . . 4.220 3.566 2.395 4.108 . 0 0 "[ . 1 . 2]" 2
183 1 22 PHE QD 1 27 ASN HB3 . . 4.220 2.438 2.009 2.859 . 0 0 "[ . 1 . 2]" 2
184 1 13 TYR HB3 1 28 LEU HB2 . . 4.630 3.507 2.898 4.069 . 0 0 "[ . 1 . 2]" 2
185 1 22 PHE QD 1 28 LEU HB2 . . 4.710 2.942 2.380 3.264 . 0 0 "[ . 1 . 2]" 2
186 1 13 TYR HB2 1 28 LEU HB2 . . 4.890 3.760 3.454 4.406 . 0 0 "[ . 1 . 2]" 2
187 1 22 PHE QD 1 28 LEU HG . . 5.000 4.762 4.359 5.003 0.003 14 0 "[ . 1 . 2]" 2
188 1 13 TYR HB3 1 28 LEU HB3 . . 4.630 3.840 3.472 4.133 . 0 0 "[ . 1 . 2]" 2
189 1 22 PHE QD 1 28 LEU MD1 . . 4.130 2.172 1.858 2.680 . 0 0 "[ . 1 . 2]" 2
190 1 26 SER HB2 1 29 ILE HB . . 5.500 4.844 3.831 5.503 0.003 14 0 "[ . 1 . 2]" 2
191 1 26 SER HB3 1 29 ILE HB . . 5.500 4.772 4.007 5.434 . 0 0 "[ . 1 . 2]" 2
192 1 24 ILE MD 1 26 SER HB2 . . 5.500 5.026 4.005 5.498 . 0 0 "[ . 1 . 2]" 2
193 1 24 ILE MD 1 26 SER HB3 . . 5.500 4.991 3.967 5.490 . 0 0 "[ . 1 . 2]" 2
194 1 31 HIS HE1 1 34 ILE MD . . 3.520 2.336 1.946 3.199 . 0 0 "[ . 1 . 2]" 2
195 1 34 ILE H 1 34 ILE MD . . 4.430 3.829 1.912 3.983 . 0 0 "[ . 1 . 2]" 2
196 1 26 SER HA 1 30 LYS H . . 4.870 4.225 3.794 4.869 . 0 0 "[ . 1 . 2]" 2
197 1 31 HIS HA 1 34 ILE MD . . 5.000 4.633 3.744 5.017 0.017 6 0 "[ . 1 . 2]" 2
198 1 34 ILE HA 1 34 ILE MD . . 4.140 3.931 3.414 4.157 0.017 3 0 "[ . 1 . 2]" 2
199 1 26 SER HA 1 29 ILE HB . . 3.470 2.733 2.224 3.116 . 0 0 "[ . 1 . 2]" 2
200 1 34 ILE HB 1 34 ILE MD . . 3.350 2.272 2.101 3.224 . 0 0 "[ . 1 . 2]" 2
201 1 26 SER HA 1 29 ILE HG12 . . 4.460 3.717 1.998 4.465 0.005 10 0 "[ . 1 . 2]" 2
202 1 26 SER HA 1 29 ILE HG13 . . 4.460 3.033 2.001 4.498 0.038 16 0 "[ . 1 . 2]" 2
203 1 26 SER HA 1 29 ILE MG . . 4.330 4.045 3.677 4.328 . 0 0 "[ . 1 . 2]" 2
204 1 34 ILE H 1 34 ILE HB . . 3.700 3.605 3.560 3.641 . 0 0 "[ . 1 . 2]" 2
205 1 27 ASN HB2 1 28 LEU H . . 4.810 3.193 2.676 4.041 . 0 0 "[ . 1 . 2]" 2
206 1 22 PHE HB3 1 27 ASN HB3 . . 4.830 3.043 2.248 4.320 . 0 0 "[ . 1 . 2]" 2
207 1 27 ASN HB3 1 28 LEU H . . 4.810 3.336 2.620 3.733 . 0 0 "[ . 1 . 2]" 2
208 1 25 ARG HA 1 29 ILE H . . 5.190 4.680 4.126 5.050 . 0 0 "[ . 1 . 2]" 2
209 1 25 ARG HA 1 28 LEU H . . 3.980 3.792 3.559 3.977 . 0 0 "[ . 1 . 2]" 2
210 1 24 ILE HA 1 25 ARG HA . . 4.820 4.351 4.307 4.427 . 0 0 "[ . 1 . 2]" 2
211 1 15 CYS HB3 1 22 PHE QE . . 4.440 3.554 2.168 4.299 . 0 0 "[ . 1 . 2]" 2
212 1 22 PHE QE 1 31 HIS HB2 . . 4.580 3.062 2.006 3.901 . 0 0 "[ . 1 . 2]" 2
213 1 22 PHE QE 1 28 LEU HA . . 4.510 3.425 2.901 3.810 . 0 0 "[ . 1 . 2]" 2
214 1 15 CYS HB2 1 22 PHE QE . . 3.940 2.775 2.004 3.757 . 0 0 "[ . 1 . 2]" 2
215 1 20 LYS HB2 1 22 PHE QE . . 4.530 3.196 2.227 3.851 . 0 0 "[ . 1 . 2]" 2
216 1 20 LYS HD3 1 22 PHE QE . . 5.500 3.319 2.158 4.628 . 0 0 "[ . 1 . 2]" 2
217 1 20 LYS HD2 1 22 PHE QE . . 5.500 4.076 2.567 5.192 . 0 0 "[ . 1 . 2]" 2
218 1 25 ARG HA 1 25 ARG HG3 . . 4.030 2.844 2.403 3.782 . 0 0 "[ . 1 . 2]" 2
219 1 20 LYS HB3 1 22 PHE QE . . 4.530 2.240 2.000 2.717 . 0 0 "[ . 1 . 2]" 2
220 1 25 ARG HA 1 25 ARG HG2 . . 4.030 3.416 2.619 3.862 . 0 0 "[ . 1 . 2]" 2
221 1 15 CYS HA 1 31 HIS HD2 . . 5.060 4.773 4.191 5.053 . 0 0 "[ . 1 . 2]" 2
222 1 15 CYS HA 1 16 ALA MB . . 5.060 3.980 3.896 4.054 . 0 0 "[ . 1 . 2]" 2
223 1 14 ILE MD 1 15 CYS H . . 5.250 4.794 3.371 5.250 . 0 0 "[ . 1 . 2]" 2
224 1 14 ILE H 1 14 ILE MD . . 4.680 3.686 2.470 4.223 . 0 0 "[ . 1 . 2]" 2
225 1 24 ILE MD 1 27 ASN H . . 5.060 3.933 3.452 4.989 . 0 0 "[ . 1 . 2]" 2
226 1 14 ILE MD 1 21 ALA HA . . 4.380 3.670 2.091 4.271 . 0 0 "[ . 1 . 2]" 2
227 1 14 ILE HA 1 14 ILE MD . . 3.980 3.363 1.962 3.887 . 0 0 "[ . 1 . 2]" 2
228 1 24 ILE HA 1 24 ILE MD . . 4.530 3.641 1.952 3.960 . 0 0 "[ . 1 . 2]" 2
229 1 14 ILE HB 1 14 ILE MD . . 3.560 2.435 2.086 3.230 . 0 0 "[ . 1 . 2]" 2
230 1 14 ILE MD 1 21 ALA MB . . 3.830 3.142 1.841 3.775 . 0 0 "[ . 1 . 2]" 2
231 1 30 LYS HA 1 30 LYS QE . . 5.280 4.527 3.282 5.401 0.121 18 0 "[ . 1 . 2]" 2
232 1 30 LYS HA 1 33 LYS QE . . 5.500 3.926 2.134 5.332 . 0 0 "[ . 1 . 2]" 2
233 1 30 LYS HA 1 30 LYS QD . . 4.680 3.862 2.121 4.473 . 0 0 "[ . 1 . 2]" 2
234 1 30 LYS HA 1 33 LYS QD . . 4.980 3.808 2.374 4.844 . 0 0 "[ . 1 . 2]" 2
235 1 30 LYS HA 1 30 LYS HG3 . . 4.130 2.959 2.225 3.796 . 0 0 "[ . 1 . 2]" 2
236 1 30 LYS HA 1 30 LYS HG2 . . 4.130 3.271 2.429 4.179 0.049 7 0 "[ . 1 . 2]" 2
237 1 29 ILE MG 1 30 LYS HA . . 4.570 3.358 3.026 3.622 . 0 0 "[ . 1 . 2]" 2
238 1 31 HIS HD2 1 32 GLN HA . . 3.860 3.075 2.488 3.810 . 0 0 "[ . 1 . 2]" 2
239 1 32 GLN HA 1 35 HIS HD2 . . 3.500 2.344 2.003 2.840 . 0 0 "[ . 1 . 2]" 2
240 1 32 GLN HA 1 32 GLN QG . . 3.430 2.376 2.145 2.768 . 0 0 "[ . 1 . 2]" 2
241 1 31 HIS HA 1 34 ILE H . . 4.720 3.685 3.420 3.969 . 0 0 "[ . 1 . 2]" 2
242 1 28 LEU HG 1 32 GLN QG . . 4.290 2.944 2.037 4.052 . 0 0 "[ . 1 . 2]" 2
243 1 31 HIS HA 1 34 ILE MG . . 4.380 3.126 1.886 3.715 . 0 0 "[ . 1 . 2]" 2
244 1 30 LYS QB 1 31 HIS HA . . 5.050 4.141 3.776 4.628 . 0 0 "[ . 1 . 2]" 2
245 1 26 SER HA 1 29 ILE MD . . 4.040 2.666 1.835 4.049 0.009 17 0 "[ . 1 . 2]" 2
246 1 29 ILE HA 1 29 ILE MD . . 4.030 3.256 1.955 3.896 . 0 0 "[ . 1 . 2]" 2
247 1 25 ARG QD 1 29 ILE MD . . 4.340 3.954 3.024 4.347 0.007 14 0 "[ . 1 . 2]" 2
248 1 33 LYS HA 1 33 LYS QD . . 4.540 3.343 2.161 4.428 . 0 0 "[ . 1 . 2]" 2
249 1 33 LYS HA 1 36 THR MG . . 4.500 3.313 2.038 4.465 . 0 0 "[ . 1 . 2]" 2
250 1 18 CYS HA 1 35 HIS HE1 . . 4.830 3.963 3.414 4.476 . 0 0 "[ . 1 . 2]" 2
251 1 22 PHE HZ 1 31 HIS HB2 . . 4.510 2.582 2.017 3.899 . 0 0 "[ . 1 . 2]" 2
252 1 22 PHE HZ 1 31 HIS HB3 . . 4.510 3.349 2.518 4.362 . 0 0 "[ . 1 . 2]" 2
253 1 20 LYS HA 1 20 LYS HG3 . . 4.120 2.586 2.221 3.699 . 0 0 "[ . 1 . 2]" 2
254 1 20 LYS HA 1 20 LYS HG2 . . 4.120 2.936 2.261 3.657 . 0 0 "[ . 1 . 2]" 2
255 1 28 LEU HA 1 31 HIS H . . 4.290 3.381 3.116 3.687 . 0 0 "[ . 1 . 2]" 2
256 1 22 PHE QD 1 28 LEU HA . . 4.250 3.249 2.551 3.766 . 0 0 "[ . 1 . 2]" 2
257 1 28 LEU HA 1 28 LEU HG . . 4.180 3.216 2.916 3.444 . 0 0 "[ . 1 . 2]" 2
258 1 32 GLN QG 1 35 HIS HD2 . . 4.300 3.563 2.294 4.301 0.001 9 0 "[ . 1 . 2]" 2
259 1 17 GLU HB3 1 35 HIS HD2 . . 4.760 3.892 2.639 4.756 . 0 0 "[ . 1 . 2]" 2
260 1 20 LYS HB3 1 21 ALA H . . 4.340 3.134 1.923 3.946 . 0 0 "[ . 1 . 2]" 2
261 1 31 HIS HD2 1 32 GLN QG . . 3.950 3.166 2.259 3.907 . 0 0 "[ . 1 . 2]" 2
262 1 11 LYS HB2 1 12 PRO QD . . 4.600 3.857 3.460 4.366 . 0 0 "[ . 1 . 2]" 2
263 1 11 LYS HB3 1 12 PRO QD . . 4.600 3.029 2.051 4.299 . 0 0 "[ . 1 . 2]" 2
264 1 30 LYS H 1 30 LYS QB . . 3.370 2.312 2.117 2.593 . 0 0 "[ . 1 . 2]" 2
265 1 33 LYS H 1 33 LYS HB2 . . 3.800 2.621 2.228 3.603 . 0 0 "[ . 1 . 2]" 2
266 1 17 GLU H 1 17 GLU HB2 . . 3.720 2.489 2.258 2.659 . 0 0 "[ . 1 . 2]" 2
267 1 17 GLU HB3 1 18 CYS H . . 4.280 3.278 2.891 3.748 . 0 0 "[ . 1 . 2]" 2
268 1 30 LYS H 1 30 LYS QD . . 5.150 4.011 1.937 4.614 . 0 0 "[ . 1 . 2]" 2
269 1 30 LYS QD 1 31 HIS H . . 5.500 4.527 2.600 5.411 . 0 0 "[ . 1 . 2]" 2
270 1 17 GLU HB2 1 35 HIS HD2 . . 4.760 3.295 2.242 4.402 . 0 0 "[ . 1 . 2]" 2
271 1 27 ASN HA 1 30 LYS QD . . 5.090 3.744 2.388 5.085 . 0 0 "[ . 1 . 2]" 2
272 1 15 CYS HB2 1 18 CYS H . . 4.940 4.697 4.470 4.915 . 0 0 "[ . 1 . 2]" 2
273 1 15 CYS HB3 1 31 HIS HD2 . . 4.260 4.028 3.435 4.260 0.000 15 0 "[ . 1 . 2]" 2
274 1 15 CYS HB2 1 31 HIS HD2 . . 3.670 3.037 2.282 3.448 . 0 0 "[ . 1 . 2]" 2
275 1 14 ILE HA 1 15 CYS HB3 . . 5.010 4.651 4.352 4.816 . 0 0 "[ . 1 . 2]" 2
276 1 14 ILE HA 1 15 CYS HB2 . . 4.840 4.527 4.383 4.841 0.001 11 0 "[ . 1 . 2]" 2
277 1 11 LYS HA 1 11 LYS QD . . 4.890 3.100 1.973 4.092 . 0 0 "[ . 1 . 2]" 2
278 1 11 LYS QD 1 23 THR HA . . 5.500 4.253 2.409 5.491 . 0 0 "[ . 1 . 2]" 2
279 1 15 CYS HB3 1 20 LYS HB2 . . 4.770 3.013 2.010 3.876 . 0 0 "[ . 1 . 2]" 2
280 1 15 CYS HB3 1 20 LYS HB3 . . 4.770 3.212 2.449 4.144 . 0 0 "[ . 1 . 2]" 2
281 1 20 LYS HD3 1 31 HIS HE1 . . 4.360 3.575 2.511 4.356 . 0 0 "[ . 1 . 2]" 2
282 1 33 LYS H 1 33 LYS QD . . 4.760 3.952 3.551 4.576 . 0 0 "[ . 1 . 2]" 2
283 1 31 HIS HB3 1 32 GLN H . . 4.370 2.594 2.293 2.932 . 0 0 "[ . 1 . 2]" 2
284 1 22 PHE QE 1 31 HIS HB3 . . 4.580 3.376 2.455 4.114 . 0 0 "[ . 1 . 2]" 2
285 1 29 ILE H 1 29 ILE HG12 . . 3.810 3.064 1.906 3.832 0.022 16 0 "[ . 1 . 2]" 2
286 1 25 ARG HG3 1 29 ILE MD . . 4.620 3.560 2.324 4.622 0.002 19 0 "[ . 1 . 2]" 2
287 1 28 LEU HG 1 31 HIS HD2 . . 5.500 4.626 3.909 5.332 . 0 0 "[ . 1 . 2]" 2
288 1 15 CYS HB2 1 28 LEU HG . . 4.960 4.549 3.793 4.950 . 0 0 "[ . 1 . 2]" 2
289 1 25 ARG HG2 1 29 ILE MD . . 4.620 3.360 1.961 4.624 0.004 14 0 "[ . 1 . 2]" 2
290 1 14 ILE HA 1 21 ALA HA . . 3.670 2.399 2.021 2.760 . 0 0 "[ . 1 . 2]" 2
291 1 11 LYS HA 1 12 PRO QD . . 2.910 2.051 1.945 2.301 . 0 0 "[ . 1 . 2]" 2
292 1 11 LYS HA 1 12 PRO HG3 . . 5.500 4.511 4.340 4.952 . 0 0 "[ . 1 . 2]" 2
293 1 12 PRO HG3 1 23 THR HA . . 5.500 4.297 2.914 5.462 . 0 0 "[ . 1 . 2]" 2
294 1 11 LYS HA 1 12 PRO HG2 . . 5.500 4.369 4.168 4.535 . 0 0 "[ . 1 . 2]" 2
295 1 12 PRO HG2 1 23 THR HA . . 5.500 3.597 2.165 4.546 . 0 0 "[ . 1 . 2]" 2
296 1 14 ILE HA 1 28 LEU MD1 . . 4.840 3.783 3.111 4.388 . 0 0 "[ . 1 . 2]" 2
297 1 15 CYS HA 1 28 LEU MD1 . . 4.770 2.447 1.933 3.189 . 0 0 "[ . 1 . 2]" 2
298 1 42 GLY HA2 1 43 PRO QD . . 3.920 2.481 1.932 3.456 . 0 0 "[ . 1 . 2]" 2
299 1 20 LYS H 1 20 LYS HG3 . . 5.040 4.126 3.034 4.566 . 0 0 "[ . 1 . 2]" 2
300 1 30 LYS HG3 1 31 HIS H . . 5.500 4.113 2.239 5.425 . 0 0 "[ . 1 . 2]" 2
301 1 30 LYS HG2 1 31 HIS H . . 5.500 3.922 2.215 5.234 . 0 0 "[ . 1 . 2]" 2
302 1 30 LYS HA 1 33 LYS HG3 . . 5.100 3.337 2.528 5.131 0.031 17 0 "[ . 1 . 2]" 2
303 1 30 LYS HA 1 33 LYS HG2 . . 5.100 3.654 2.616 4.928 . 0 0 "[ . 1 . 2]" 2
304 1 13 TYR QE 1 24 ILE HA . . 3.910 3.474 2.488 3.909 . 0 0 "[ . 1 . 2]" 2
305 1 13 TYR QE 1 25 ARG QD . . 3.920 3.314 2.037 3.913 . 0 0 "[ . 1 . 2]" 2
306 1 13 TYR QE 1 25 ARG HA . . 4.500 3.576 2.908 4.220 . 0 0 "[ . 1 . 2]" 2
307 1 13 TYR QE 1 25 ARG HB2 . . 4.770 3.178 2.580 4.769 . 0 0 "[ . 1 . 2]" 2
308 1 13 TYR QE 1 25 ARG HG3 . . 5.500 3.761 2.028 5.335 . 0 0 "[ . 1 . 2]" 2
309 1 13 TYR QE 1 24 ILE MG . . 5.410 4.666 3.748 5.108 . 0 0 "[ . 1 . 2]" 2
310 1 13 TYR QE 1 25 ARG HG2 . . 5.500 4.538 2.704 5.218 . 0 0 "[ . 1 . 2]" 2
311 1 13 TYR QE 1 25 ARG HB3 . . 4.770 3.992 2.243 4.723 . 0 0 "[ . 1 . 2]" 2
312 1 10 GLU HA 1 11 LYS QB . . 5.090 4.461 3.836 5.007 . 0 0 "[ . 1 . 2]" 2
313 1 11 LYS H 1 11 LYS QB . . 3.620 2.609 2.164 3.292 . 0 0 "[ . 1 . 2]" 2
314 1 11 LYS H 1 11 LYS QG . . 4.410 3.135 2.141 4.368 . 0 0 "[ . 1 . 2]" 2
315 1 11 LYS HA 1 12 PRO QG . . 4.760 3.943 3.844 4.119 . 0 0 "[ . 1 . 2]" 2
316 1 12 PRO QB 1 13 TYR QE . . 5.180 3.371 2.672 3.977 . 0 0 "[ . 1 . 2]" 2
317 1 12 PRO QG 1 13 TYR H . . 4.490 2.873 2.330 3.289 . 0 0 "[ . 1 . 2]" 2
318 1 12 PRO QG 1 13 TYR QD . . 4.350 2.465 1.989 3.416 . 0 0 "[ . 1 . 2]" 2
319 1 12 PRO QG 1 13 TYR QE . . 4.500 2.907 2.317 3.668 . 0 0 "[ . 1 . 2]" 2
320 1 13 TYR HA 1 28 LEU QD . . 4.460 3.704 3.360 4.104 . 0 0 "[ . 1 . 2]" 2
321 1 13 TYR HB2 1 28 LEU QB . . 4.060 3.575 3.187 4.046 . 0 0 "[ . 1 . 2]" 2
322 1 13 TYR HB2 1 28 LEU QD . . 3.820 3.334 2.789 3.800 . 0 0 "[ . 1 . 2]" 2
323 1 13 TYR HB3 1 28 LEU QB . . 3.920 3.238 2.795 3.644 . 0 0 "[ . 1 . 2]" 2
324 1 13 TYR HB3 1 28 LEU QD . . 3.350 2.226 1.856 2.744 . 0 0 "[ . 1 . 2]" 2
325 1 13 TYR QD 1 28 LEU QD . . 3.830 3.335 2.660 3.832 0.002 19 0 "[ . 1 . 2]" 2
326 1 13 TYR QE 1 25 ARG QB . . 3.970 2.906 2.224 3.908 . 0 0 "[ . 1 . 2]" 2
327 1 14 ILE H 1 14 ILE QG . . 3.710 3.156 2.838 3.700 . 0 0 "[ . 1 . 2]" 2
328 1 14 ILE H 1 28 LEU QD . . 3.760 3.299 2.983 3.597 . 0 0 "[ . 1 . 2]" 2
329 1 14 ILE HA 1 28 LEU QD . . 4.170 3.497 3.055 3.875 . 0 0 "[ . 1 . 2]" 2
330 1 14 ILE MG 1 19 GLY QA . . 3.390 2.827 2.529 2.986 . 0 0 "[ . 1 . 2]" 2
331 1 14 ILE QG 1 21 ALA HA . . 4.660 2.791 2.149 4.215 . 0 0 "[ . 1 . 2]" 2
332 1 14 ILE QG 1 21 ALA MB . . 4.260 2.766 2.167 4.045 . 0 0 "[ . 1 . 2]" 2
333 1 14 ILE QG 1 22 PHE H . . 5.340 3.758 3.029 5.029 . 0 0 "[ . 1 . 2]" 2
334 1 15 CYS H 1 20 LYS QB . . 4.540 3.401 3.024 3.728 . 0 0 "[ . 1 . 2]" 2
335 1 15 CYS HA 1 28 LEU QD . . 3.460 2.361 1.882 2.827 . 0 0 "[ . 1 . 2]" 2
336 1 15 CYS HB2 1 28 LEU QD . . 3.440 2.088 1.866 2.365 . 0 0 "[ . 1 . 2]" 2
337 1 15 CYS HB3 1 28 LEU QD . . 4.110 3.389 3.056 3.635 . 0 0 "[ . 1 . 2]" 2
338 1 17 GLU H 1 17 GLU QB . . 3.050 2.447 2.234 2.594 . 0 0 "[ . 1 . 2]" 2
339 1 17 GLU H 1 17 GLU QG . . 3.870 2.837 1.952 3.878 0.008 8 0 "[ . 1 . 2]" 2
340 1 17 GLU QB 1 18 CYS H . . 3.410 2.450 2.010 2.787 . 0 0 "[ . 1 . 2]" 2
341 1 17 GLU QB 1 19 GLY H . . 5.150 4.246 3.997 4.457 . 0 0 "[ . 1 . 2]" 2
342 1 17 GLU QB 1 35 HIS HD2 . . 4.030 3.112 2.126 4.008 . 0 0 "[ . 1 . 2]" 2
343 1 18 CYS H 1 18 CYS QB . . 3.690 2.937 2.821 3.034 . 0 0 "[ . 1 . 2]" 2
344 1 18 CYS H 1 19 GLY QA . . 4.420 3.937 3.770 4.089 . 0 0 "[ . 1 . 2]" 2
345 1 18 CYS QB 1 35 HIS HE1 . . 3.240 2.115 2.000 2.290 . 0 0 "[ . 1 . 2]" 2
346 1 20 LYS H 1 20 LYS QB . . 3.110 2.328 2.139 2.505 . 0 0 "[ . 1 . 2]" 2
347 1 20 LYS H 1 20 LYS QG . . 4.290 3.738 2.967 4.129 . 0 0 "[ . 1 . 2]" 2
348 1 20 LYS H 1 28 LEU QD . . 5.440 4.675 4.140 5.425 . 0 0 "[ . 1 . 2]" 2
349 1 20 LYS HA 1 20 LYS QG . . 3.590 2.320 2.180 2.512 . 0 0 "[ . 1 . 2]" 2
350 1 20 LYS QB 1 20 LYS QD . . 3.240 2.129 2.039 2.286 . 0 0 "[ . 1 . 2]" 2
351 1 20 LYS QB 1 21 ALA H . . 3.740 2.988 1.911 3.644 . 0 0 "[ . 1 . 2]" 2
352 1 20 LYS QB 1 22 PHE QD . . 4.270 3.486 3.134 3.922 . 0 0 "[ . 1 . 2]" 2
353 1 20 LYS QB 1 22 PHE QE . . 3.760 2.127 1.938 2.347 . 0 0 "[ . 1 . 2]" 2
354 1 20 LYS QB 1 22 PHE HZ . . 4.390 3.456 2.549 4.212 . 0 0 "[ . 1 . 2]" 2
355 1 20 LYS QB 1 31 HIS HE1 . . 4.840 3.812 2.283 4.839 . 0 0 "[ . 1 . 2]" 2
356 1 20 LYS QG 1 21 ALA H . . 3.960 2.661 1.871 3.927 . 0 0 "[ . 1 . 2]" 2
357 1 20 LYS QG 1 22 PHE QE . . 4.320 3.276 1.986 4.251 . 0 0 "[ . 1 . 2]" 2
358 1 20 LYS QG 1 22 PHE HZ . . 5.340 3.695 1.990 4.725 . 0 0 "[ . 1 . 2]" 2
359 1 20 LYS QD 1 22 PHE QE . . 4.640 3.084 2.146 4.325 . 0 0 "[ . 1 . 2]" 2
360 1 20 LYS QD 1 22 PHE HZ . . 4.120 2.781 2.016 4.121 0.001 11 0 "[ . 1 . 2]" 2
361 1 22 PHE HB2 1 28 LEU QB . . 3.860 2.346 2.094 2.781 . 0 0 "[ . 1 . 2]" 2
362 1 22 PHE HB2 1 28 LEU QD . . 4.590 3.060 2.604 3.696 . 0 0 "[ . 1 . 2]" 2
363 1 22 PHE HB3 1 27 ASN QB . . 4.140 2.701 2.234 3.263 . 0 0 "[ . 1 . 2]" 2
364 1 22 PHE HB3 1 28 LEU QB . . 4.340 3.118 2.706 3.832 . 0 0 "[ . 1 . 2]" 2
365 1 22 PHE QD 1 27 ASN QB . . 3.470 2.388 1.912 2.796 . 0 0 "[ . 1 . 2]" 2
366 1 22 PHE QD 1 28 LEU QB . . 4.030 2.901 2.364 3.204 . 0 0 "[ . 1 . 2]" 2
367 1 22 PHE QD 1 28 LEU QD . . 3.410 2.154 1.855 2.613 . 0 0 "[ . 1 . 2]" 2
368 1 22 PHE QE 1 28 LEU QD . . 4.670 2.589 2.239 2.993 . 0 0 "[ . 1 . 2]" 2
369 1 22 PHE QE 1 31 HIS QB . . 3.970 2.832 1.921 3.561 . 0 0 "[ . 1 . 2]" 2
370 1 22 PHE HZ 1 28 LEU QD . . 5.440 3.942 3.173 4.447 . 0 0 "[ . 1 . 2]" 2
371 1 22 PHE HZ 1 31 HIS QB . . 3.740 2.461 1.993 3.481 . 0 0 "[ . 1 . 2]" 2
372 1 24 ILE H 1 24 ILE QG . . 3.650 2.216 1.890 2.725 . 0 0 "[ . 1 . 2]" 2
373 1 24 ILE H 1 27 ASN QB . . 4.060 2.737 2.508 2.949 . 0 0 "[ . 1 . 2]" 2
374 1 24 ILE HB 1 27 ASN QB . . 4.370 2.220 1.989 2.799 . 0 0 "[ . 1 . 2]" 2
375 1 24 ILE MG 1 26 SER QB . . 4.140 2.562 1.949 3.541 . 0 0 "[ . 1 . 2]" 2
376 1 24 ILE MG 1 27 ASN QB . . 4.760 3.589 3.101 4.075 . 0 0 "[ . 1 . 2]" 2
377 1 24 ILE QG 1 27 ASN H . . 4.360 4.349 4.295 4.372 0.012 14 0 "[ . 1 . 2]" 2
378 1 24 ILE MD 1 27 ASN QD . . 4.780 3.069 1.918 4.750 . 0 0 "[ . 1 . 2]" 2
379 1 25 ARG HA 1 25 ARG QG . . 3.370 2.681 2.352 3.342 . 0 0 "[ . 1 . 2]" 2
380 1 25 ARG HA 1 28 LEU QB . . 3.680 3.167 2.828 3.479 . 0 0 "[ . 1 . 2]" 2
381 1 25 ARG QG 1 29 ILE MD . . 3.930 2.851 1.948 3.914 . 0 0 "[ . 1 . 2]" 2
382 1 26 SER QB 1 27 ASN H . . 4.450 2.679 2.204 3.411 . 0 0 "[ . 1 . 2]" 2
383 1 27 ASN H 1 27 ASN QB . . 3.210 2.272 2.138 2.510 . 0 0 "[ . 1 . 2]" 2
384 1 27 ASN QB 1 28 LEU H . . 4.220 2.785 2.545 3.011 . 0 0 "[ . 1 . 2]" 2
385 1 28 LEU H 1 28 LEU QB . . 3.070 2.202 2.148 2.261 . 0 0 "[ . 1 . 2]" 2
386 1 28 LEU H 1 28 LEU QD . . 4.790 3.739 3.694 3.783 . 0 0 "[ . 1 . 2]" 2
387 1 28 LEU HA 1 28 LEU QD . . 3.390 2.321 1.990 2.542 . 0 0 "[ . 1 . 2]" 2
388 1 28 LEU HA 1 31 HIS QB . . 3.550 2.600 2.229 2.923 . 0 0 "[ . 1 . 2]" 2
389 1 28 LEU QB 1 29 ILE H . . 3.480 2.596 2.224 2.956 . 0 0 "[ . 1 . 2]" 2
390 1 28 LEU HG 1 32 GLN QE . . 5.340 3.167 1.889 4.208 . 0 0 "[ . 1 . 2]" 2
391 1 28 LEU QD 1 29 ILE H . . 4.420 3.703 3.260 4.081 . 0 0 "[ . 1 . 2]" 2
392 1 28 LEU QD 1 29 ILE HA . . 4.610 3.953 3.717 4.239 . 0 0 "[ . 1 . 2]" 2
393 1 28 LEU QD 1 31 HIS QB . . 4.360 2.862 2.384 3.919 . 0 0 "[ . 1 . 2]" 2
394 1 28 LEU QD 1 31 HIS HD2 . . 3.620 2.776 2.211 3.303 . 0 0 "[ . 1 . 2]" 2
395 1 28 LEU QD 1 32 GLN H . . 4.550 3.663 2.968 4.348 . 0 0 "[ . 1 . 2]" 2
396 1 28 LEU QD 1 32 GLN HA . . 4.870 4.477 3.946 4.858 . 0 0 "[ . 1 . 2]" 2
397 1 28 LEU QD 1 32 GLN QG . . 3.730 2.791 1.809 3.703 . 0 0 "[ . 1 . 2]" 2
398 1 28 LEU QD 1 32 GLN QE . . 3.680 2.732 1.785 3.444 . 0 0 "[ . 1 . 2]" 2
399 1 29 ILE H 1 29 ILE QG . . 3.270 2.099 1.897 2.779 . 0 0 "[ . 1 . 2]" 2
400 1 29 ILE HA 1 32 GLN QB . . 3.890 3.120 2.096 3.867 . 0 0 "[ . 1 . 2]" 2
401 1 29 ILE HA 1 32 GLN QE . . 5.340 3.772 2.123 5.329 . 0 0 "[ . 1 . 2]" 2
402 1 29 ILE QG 1 30 LYS H . . 5.030 4.037 3.829 4.295 . 0 0 "[ . 1 . 2]" 2
403 1 30 LYS H 1 30 LYS QG . . 4.100 3.159 1.883 4.012 . 0 0 "[ . 1 . 2]" 2
404 1 30 LYS HA 1 30 LYS QG . . 3.620 2.693 2.201 3.385 . 0 0 "[ . 1 . 2]" 2
405 1 30 LYS HA 1 33 LYS QG . . 4.430 2.871 2.381 4.065 . 0 0 "[ . 1 . 2]" 2
406 1 30 LYS QG 1 31 HIS H . . 4.660 3.476 2.107 4.452 . 0 0 "[ . 1 . 2]" 2
407 1 31 HIS HA 1 33 LYS QB . . 5.340 4.041 3.697 5.348 0.008 6 0 "[ . 1 . 2]" 2
408 1 31 HIS HA 1 34 ILE QG . . 5.340 3.758 3.227 5.211 . 0 0 "[ . 1 . 2]" 2
409 1 31 HIS QB 1 32 GLN H . . 3.490 2.559 2.273 2.877 . 0 0 "[ . 1 . 2]" 2
410 1 32 GLN H 1 32 GLN QB . . 3.250 2.409 2.188 2.601 . 0 0 "[ . 1 . 2]" 2
411 1 32 GLN HA 1 35 HIS QB . . 4.570 3.011 2.147 4.180 . 0 0 "[ . 1 . 2]" 2
412 1 32 GLN QB 1 33 LYS H . . 4.130 2.963 2.811 3.138 . 0 0 "[ . 1 . 2]" 2
413 1 33 LYS H 1 33 LYS QB . . 3.030 2.346 2.205 2.482 . 0 0 "[ . 1 . 2]" 2
414 1 33 LYS H 1 33 LYS QG . . 3.350 2.417 2.080 2.746 . 0 0 "[ . 1 . 2]" 2
415 1 33 LYS HA 1 33 LYS QG . . 3.590 2.635 2.163 3.332 . 0 0 "[ . 1 . 2]" 2
416 1 34 ILE H 1 34 ILE QG . . 3.450 2.459 2.318 3.467 0.017 10 0 "[ . 1 . 2]" 2
417 1 34 ILE HA 1 34 ILE QG . . 3.630 3.330 3.290 3.408 . 0 0 "[ . 1 . 2]" 2
418 1 34 ILE QG 1 35 HIS H . . 3.970 2.439 2.204 3.269 . 0 0 "[ . 1 . 2]" 2
419 1 35 HIS H 1 35 HIS QB . . 3.250 2.354 2.182 2.515 . 0 0 "[ . 1 . 2]" 2
420 1 35 HIS QB 1 35 HIS HD2 . . 3.390 2.657 2.625 2.798 . 0 0 "[ . 1 . 2]" 2
421 1 39 LYS HA 1 40 PRO QD . . 3.300 2.035 1.924 2.293 . 0 0 "[ . 1 . 2]" 2
422 1 39 LYS QB 1 40 PRO QD . . 4.200 2.854 1.995 3.802 . 0 0 "[ . 1 . 2]" 2
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