NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
509000 |
2yso   |
11368 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yso
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 8
_Distance_constraint_stats_list.Viol_total 0.055
_Distance_constraint_stats_list.Viol_max 0.001
_Distance_constraint_stats_list.Viol_rms 0.0001
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0003
_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 0.001 0.000 2 0 "[ . 1 . 2]"
1 18 CYS 0.001 0.001 6 0 "[ . 1 . 2]"
1 31 HIS 0.001 0.001 10 0 "[ . 1 . 2]"
1 35 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 ZN 0.003 0.001 10 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 2.276 2.190 2.375 0.000 14 0 "[ . 1 . 2]" 1
2 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.441 3.258 3.510 0.000 2 0 "[ . 1 . 2]" 1
3 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.252 2.190 2.385 0.000 10 0 "[ . 1 . 2]" 1
4 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.457 3.250 3.511 0.001 6 0 "[ . 1 . 2]" 1
5 1 31 HIS NE2 2 1 ZN ZN . . 2.100 2.038 1.931 2.101 0.001 10 0 "[ . 1 . 2]" 1
6 1 35 HIS NE2 2 1 ZN ZN . . 2.100 2.028 1.901 2.094 . 0 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.718 3.560 3.904 0.000 14 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.503 3.333 3.716 . 0 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.617 3.450 3.719 . 0 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.481 3.320 3.717 . 0 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.572 3.320 3.720 . 0 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.102 3.002 3.272 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 HIS 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 12 SER HA 1 13 HIS H . . 2.800 2.434 2.257 2.556 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 253
_Distance_constraint_stats_list.Viol_count 17
_Distance_constraint_stats_list.Viol_total 0.234
_Distance_constraint_stats_list.Viol_max 0.002
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0007
_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 9 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.000 0.000 7 0 "[ . 1 . 2]"
1 11 LYS 0.000 0.000 7 0 "[ . 1 . 2]"
1 12 SER 0.002 0.001 16 0 "[ . 1 . 2]"
1 13 HIS 0.002 0.001 16 0 "[ . 1 . 2]"
1 14 GLN 0.002 0.001 15 0 "[ . 1 . 2]"
1 15 CYS 0.002 0.001 15 0 "[ . 1 . 2]"
1 16 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PHE 0.001 0.001 20 0 "[ . 1 . 2]"
1 23 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 SER 0.001 0.001 20 0 "[ . 1 . 2]"
1 28 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ILE 0.006 0.002 19 0 "[ . 1 . 2]"
1 30 GLU 0.002 0.001 11 0 "[ . 1 . 2]"
1 31 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 MET 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 20 GLU H 1 20 GLU HB2 . . 4.000 2.969 2.451 3.442 . 0 0 "[ . 1 . 2]" 3
2 1 28 LEU H 1 28 LEU HB2 . . 4.050 2.693 2.390 2.870 . 0 0 "[ . 1 . 2]" 3
3 1 27 SER HB2 1 28 LEU H . . 4.740 3.339 2.468 4.065 . 0 0 "[ . 1 . 2]" 3
4 1 27 SER HB3 1 28 LEU H . . 4.740 3.466 2.338 4.034 . 0 0 "[ . 1 . 2]" 3
5 1 14 GLN HG3 1 21 ILE H . . 4.940 4.382 3.570 4.918 . 0 0 "[ . 1 . 2]" 3
6 1 21 ILE H 1 21 ILE MD . . 4.450 3.753 3.487 4.157 . 0 0 "[ . 1 . 2]" 3
7 1 12 SER HB3 1 13 HIS H . . 4.070 2.406 2.162 2.829 . 0 0 "[ . 1 . 2]" 3
8 1 33 VAL HB 1 34 LEU H . . 4.420 2.508 2.320 2.772 . 0 0 "[ . 1 . 2]" 3
9 1 30 GLU H 1 31 HIS HA . . 5.380 5.140 4.975 5.312 . 0 0 "[ . 1 . 2]" 3
10 1 28 LEU HG 1 29 ILE H . . 5.140 3.181 2.746 3.713 . 0 0 "[ . 1 . 2]" 3
11 1 29 ILE H 1 29 ILE HB . . 3.310 2.336 2.310 2.367 . 0 0 "[ . 1 . 2]" 3
12 1 29 ILE H 1 29 ILE MG . . 3.570 2.516 2.412 2.618 . 0 0 "[ . 1 . 2]" 3
13 1 31 HIS H 1 31 HIS HB2 . . 3.710 2.808 2.681 3.086 . 0 0 "[ . 1 . 2]" 3
14 1 33 VAL H 1 33 VAL MG2 . . 3.950 2.105 1.899 2.308 . 0 0 "[ . 1 . 2]" 3
15 1 28 LEU HA 1 32 GLN H . . 4.090 3.968 3.702 4.089 . 0 0 "[ . 1 . 2]" 3
16 1 32 GLN H 1 32 GLN HG2 . . 4.200 2.818 2.020 3.767 . 0 0 "[ . 1 . 2]" 3
17 1 32 GLN H 1 32 GLN HG3 . . 4.200 2.967 2.215 3.774 . 0 0 "[ . 1 . 2]" 3
18 1 32 GLN H 1 32 GLN HB3 . . 3.970 3.484 2.524 3.604 . 0 0 "[ . 1 . 2]" 3
19 1 26 VAL MG2 1 27 SER H . . 4.190 3.902 3.783 4.050 . 0 0 "[ . 1 . 2]" 3
20 1 24 GLN H 1 27 SER HB2 . . 5.130 3.702 3.093 4.770 . 0 0 "[ . 1 . 2]" 3
21 1 24 GLN H 1 27 SER HB3 . . 5.130 4.199 3.393 5.007 . 0 0 "[ . 1 . 2]" 3
22 1 24 GLN H 1 24 GLN HG2 . . 4.950 3.922 2.280 4.700 . 0 0 "[ . 1 . 2]" 3
23 1 24 GLN H 1 24 GLN HG3 . . 4.950 3.637 2.585 4.878 . 0 0 "[ . 1 . 2]" 3
24 1 25 TYR HB3 1 26 VAL H . . 4.190 2.566 2.166 2.912 . 0 0 "[ . 1 . 2]" 3
25 1 26 VAL H 1 26 VAL MG2 . . 3.800 2.120 1.882 2.336 . 0 0 "[ . 1 . 2]" 3
26 1 15 CYS HB3 1 19 GLY H . . 4.210 2.923 2.676 3.130 . 0 0 "[ . 1 . 2]" 3
27 1 25 TYR QD 1 26 VAL H . . 4.700 3.720 3.141 4.157 . 0 0 "[ . 1 . 2]" 3
28 1 32 GLN H 1 33 VAL H . . 3.940 2.843 2.537 3.155 . 0 0 "[ . 1 . 2]" 3
29 1 33 VAL H 1 34 LEU H . . 3.820 2.885 2.664 3.130 . 0 0 "[ . 1 . 2]" 3
30 1 35 HIS H 1 36 MET H . . 3.990 2.928 2.665 3.146 . 0 0 "[ . 1 . 2]" 3
31 1 28 LEU H 1 29 ILE H . . 3.780 2.724 2.512 2.901 . 0 0 "[ . 1 . 2]" 3
32 1 34 LEU H 1 35 HIS H . . 3.590 2.931 2.635 3.062 . 0 0 "[ . 1 . 2]" 3
33 1 29 ILE H 1 30 GLU H . . 4.270 2.867 2.710 3.053 . 0 0 "[ . 1 . 2]" 3
34 1 31 HIS H 1 32 GLN H . . 3.820 2.758 2.558 2.887 . 0 0 "[ . 1 . 2]" 3
35 1 17 GLU H 1 18 CYS H . . 3.750 2.575 1.802 3.191 . 0 0 "[ . 1 . 2]" 3
36 1 16 ARG H 1 17 GLU H . . 4.630 2.646 1.984 3.266 . 0 0 "[ . 1 . 2]" 3
37 1 25 TYR HA 1 29 ILE H . . 5.500 4.193 3.803 4.776 . 0 0 "[ . 1 . 2]" 3
38 1 29 ILE HA 1 32 GLN H . . 4.050 3.866 3.640 4.012 . 0 0 "[ . 1 . 2]" 3
39 1 15 CYS HB3 1 18 CYS H . . 4.320 3.756 3.504 4.152 . 0 0 "[ . 1 . 2]" 3
40 1 15 CYS H 1 20 GLU H . . 5.220 2.597 2.225 3.123 . 0 0 "[ . 1 . 2]" 3
41 1 13 HIS H 1 13 HIS HD2 . . 5.090 4.207 3.903 4.652 . 0 0 "[ . 1 . 2]" 3
42 1 30 GLU H 1 31 HIS H . . 3.630 2.521 2.318 2.721 . 0 0 "[ . 1 . 2]" 3
43 1 28 LEU H 1 28 LEU MD2 . . 4.770 4.194 4.106 4.264 . 0 0 "[ . 1 . 2]" 3
44 1 28 LEU H 1 28 LEU MD1 . . 5.140 4.182 3.952 4.312 . 0 0 "[ . 1 . 2]" 3
45 1 26 VAL H 1 27 SER H . . 4.280 2.724 2.540 2.891 . 0 0 "[ . 1 . 2]" 3
46 1 26 VAL HB 1 27 SER H . . 3.940 2.852 2.603 3.155 . 0 0 "[ . 1 . 2]" 3
47 1 18 CYS H 1 19 GLY H . . 3.660 2.050 1.887 2.369 . 0 0 "[ . 1 . 2]" 3
48 1 25 TYR QE 1 29 ILE MD . . 4.020 2.840 2.126 3.783 . 0 0 "[ . 1 . 2]" 3
49 1 28 LEU H 1 28 LEU HB3 . . 4.050 2.400 2.257 2.644 . 0 0 "[ . 1 . 2]" 3
50 1 21 ILE H 1 21 ILE HB . . 3.350 2.615 2.519 2.861 . 0 0 "[ . 1 . 2]" 3
51 1 25 TYR HB2 1 26 VAL H . . 4.190 3.818 3.416 4.129 . 0 0 "[ . 1 . 2]" 3
52 1 29 ILE HB 1 30 GLU H . . 3.920 3.836 3.720 3.921 0.001 13 0 "[ . 1 . 2]" 3
53 1 14 GLN HG2 1 15 CYS H . . 4.170 2.351 1.917 3.202 . 0 0 "[ . 1 . 2]" 3
54 1 33 VAL HA 1 36 MET H . . 4.200 3.675 3.183 4.191 . 0 0 "[ . 1 . 2]" 3
55 1 12 SER HB2 1 13 HIS H . . 4.070 3.492 3.205 3.852 . 0 0 "[ . 1 . 2]" 3
56 1 26 VAL HA 1 29 ILE H . . 4.240 3.835 3.614 4.150 . 0 0 "[ . 1 . 2]" 3
57 1 25 TYR QD 1 26 VAL HA . . 4.390 3.718 2.644 4.380 . 0 0 "[ . 1 . 2]" 3
58 1 18 CYS HB2 1 35 HIS HE1 . . 4.080 3.558 2.892 4.052 . 0 0 "[ . 1 . 2]" 3
59 1 33 VAL H 1 33 VAL HB . . 3.560 2.591 2.506 2.718 . 0 0 "[ . 1 . 2]" 3
60 1 24 GLN HB2 1 27 SER H . . 4.430 3.432 2.763 4.418 . 0 0 "[ . 1 . 2]" 3
61 1 24 GLN HB3 1 27 SER H . . 4.430 2.929 2.419 3.414 . 0 0 "[ . 1 . 2]" 3
62 1 26 VAL H 1 26 VAL HB . . 3.670 2.588 2.475 2.810 . 0 0 "[ . 1 . 2]" 3
63 1 27 SER H 1 27 SER HB2 . . 4.210 2.593 2.224 3.617 . 0 0 "[ . 1 . 2]" 3
64 1 27 SER H 1 27 SER HB3 . . 4.210 3.140 2.322 3.622 . 0 0 "[ . 1 . 2]" 3
65 1 20 GLU H 1 20 GLU HB3 . . 4.000 3.270 2.786 3.903 . 0 0 "[ . 1 . 2]" 3
66 1 20 GLU HB3 1 22 PHE QE . . 4.360 2.710 2.147 4.248 . 0 0 "[ . 1 . 2]" 3
67 1 16 ARG HB2 1 17 GLU H . . 5.320 3.915 2.659 4.610 . 0 0 "[ . 1 . 2]" 3
68 1 16 ARG HB3 1 17 GLU H . . 5.320 3.535 2.585 4.438 . 0 0 "[ . 1 . 2]" 3
69 1 25 TYR HA 1 28 LEU H . . 4.400 3.381 3.161 3.632 . 0 0 "[ . 1 . 2]" 3
70 1 25 TYR HA 1 25 TYR QD . . 3.670 2.604 2.235 3.185 . 0 0 "[ . 1 . 2]" 3
71 1 15 CYS H 1 15 CYS HB3 . . 3.400 2.413 2.254 2.545 . 0 0 "[ . 1 . 2]" 3
72 1 15 CYS HB3 1 20 GLU H . . 3.580 2.241 1.911 2.700 . 0 0 "[ . 1 . 2]" 3
73 1 15 CYS HB3 1 31 HIS HD2 . . 4.550 4.182 3.423 4.550 . 0 0 "[ . 1 . 2]" 3
74 1 15 CYS H 1 15 CYS HB2 . . 3.520 2.922 2.698 3.132 . 0 0 "[ . 1 . 2]" 3
75 1 15 CYS HB2 1 20 GLU H . . 4.200 3.845 3.511 4.196 . 0 0 "[ . 1 . 2]" 3
76 1 15 CYS HB2 1 31 HIS HD2 . . 3.800 3.042 2.233 3.745 . 0 0 "[ . 1 . 2]" 3
77 1 15 CYS HB2 1 22 PHE QE . . 3.950 2.999 2.001 3.892 . 0 0 "[ . 1 . 2]" 3
78 1 27 SER HA 1 30 GLU H . . 4.490 3.967 3.705 4.264 . 0 0 "[ . 1 . 2]" 3
79 1 22 PHE QE 1 31 HIS HB2 . . 4.460 3.219 2.232 3.807 . 0 0 "[ . 1 . 2]" 3
80 1 31 HIS HB2 1 32 GLN H . . 4.640 4.023 3.800 4.206 . 0 0 "[ . 1 . 2]" 3
81 1 31 HIS HB3 1 32 GLN H . . 4.640 2.714 2.441 3.010 . 0 0 "[ . 1 . 2]" 3
82 1 31 HIS H 1 31 HIS HB3 . . 3.710 2.297 2.209 2.394 . 0 0 "[ . 1 . 2]" 3
83 1 21 ILE HA 1 22 PHE H . . 3.150 2.186 2.139 2.295 . 0 0 "[ . 1 . 2]" 3
84 1 32 GLN H 1 32 GLN HB2 . . 3.970 2.554 2.324 3.610 . 0 0 "[ . 1 . 2]" 3
85 1 21 ILE H 1 21 ILE HG12 . . 4.630 3.958 3.674 4.253 . 0 0 "[ . 1 . 2]" 3
86 1 21 ILE H 1 21 ILE HG13 . . 4.630 2.661 2.329 3.075 . 0 0 "[ . 1 . 2]" 3
87 1 32 GLN HA 1 34 LEU H . . 4.680 4.326 3.940 4.644 . 0 0 "[ . 1 . 2]" 3
88 1 32 GLN HA 1 35 HIS H . . 4.570 3.588 3.223 3.857 . 0 0 "[ . 1 . 2]" 3
89 1 31 HIS HD2 1 32 GLN HA . . 4.150 3.356 2.458 4.114 . 0 0 "[ . 1 . 2]" 3
90 1 32 GLN HA 1 35 HIS HD2 . . 3.720 2.418 2.004 3.153 . 0 0 "[ . 1 . 2]" 3
91 1 34 LEU H 1 34 LEU HG . . 3.930 2.263 1.969 2.486 . 0 0 "[ . 1 . 2]" 3
92 1 29 ILE H 1 29 ILE HG12 . . 4.620 4.601 4.568 4.622 0.002 19 0 "[ . 1 . 2]" 3
93 1 29 ILE H 1 29 ILE HG13 . . 4.260 4.241 4.194 4.262 0.002 18 0 "[ . 1 . 2]" 3
94 1 20 GLU HA 1 21 ILE H . . 2.870 2.263 2.141 2.502 . 0 0 "[ . 1 . 2]" 3
95 1 25 TYR QD 1 28 LEU MD2 . . 4.280 3.354 2.575 4.188 . 0 0 "[ . 1 . 2]" 3
96 1 15 CYS H 1 28 LEU MD1 . . 4.480 4.054 3.364 4.469 . 0 0 "[ . 1 . 2]" 3
97 1 22 PHE QE 1 28 LEU MD1 . . 4.140 3.133 2.211 3.748 . 0 0 "[ . 1 . 2]" 3
98 1 28 LEU MD1 1 29 ILE H . . 4.510 4.266 3.955 4.485 . 0 0 "[ . 1 . 2]" 3
99 1 33 VAL H 1 33 VAL MG1 . . 3.950 3.769 3.760 3.782 . 0 0 "[ . 1 . 2]" 3
100 1 26 VAL MG1 1 27 SER H . . 4.280 3.647 3.428 3.962 . 0 0 "[ . 1 . 2]" 3
101 1 21 ILE MG 1 22 PHE H . . 3.730 2.404 1.865 2.880 . 0 0 "[ . 1 . 2]" 3
102 1 21 ILE H 1 21 ILE MG . . 4.550 3.834 3.789 3.920 . 0 0 "[ . 1 . 2]" 3
103 1 21 ILE MG 1 23 PHE QD . . 4.460 4.208 3.757 4.460 . 0 0 "[ . 1 . 2]" 3
104 1 21 ILE HA 1 21 ILE MD . . 4.350 3.879 3.859 3.915 . 0 0 "[ . 1 . 2]" 3
105 1 9 ARG HA 1 9 ARG HD2 . . 5.500 3.701 2.043 4.805 . 0 0 "[ . 1 . 2]" 3
106 1 9 ARG HA 1 9 ARG HD3 . . 5.500 3.666 2.082 5.463 . 0 0 "[ . 1 . 2]" 3
107 1 16 ARG HA 1 16 ARG HD2 . . 5.490 4.226 2.019 5.468 . 0 0 "[ . 1 . 2]" 3
108 1 16 ARG HA 1 16 ARG HD3 . . 5.490 4.230 3.185 4.753 . 0 0 "[ . 1 . 2]" 3
109 1 12 SER HB2 1 13 HIS HA . . 4.660 4.618 4.522 4.660 0.000 16 0 "[ . 1 . 2]" 3
110 1 12 SER HB3 1 13 HIS HA . . 4.660 4.555 4.297 4.661 0.001 16 0 "[ . 1 . 2]" 3
111 1 14 GLN HB3 1 15 CYS HA . . 4.910 4.838 4.602 4.910 0.000 16 0 "[ . 1 . 2]" 3
112 1 13 HIS HA 1 28 LEU MD2 . . 4.550 3.960 3.320 4.270 . 0 0 "[ . 1 . 2]" 3
113 1 26 VAL MG1 1 27 SER HA . . 4.470 3.612 3.346 3.880 . 0 0 "[ . 1 . 2]" 3
114 1 14 GLN HA 1 21 ILE MG . . 4.460 3.581 3.046 4.158 . 0 0 "[ . 1 . 2]" 3
115 1 21 ILE HA 1 21 ILE MG . . 3.460 2.375 2.225 2.469 . 0 0 "[ . 1 . 2]" 3
116 1 22 PHE HB3 1 27 SER HB2 . . 5.500 3.065 2.094 4.058 . 0 0 "[ . 1 . 2]" 3
117 1 22 PHE HB3 1 27 SER HB3 . . 5.500 2.984 2.037 4.176 . 0 0 "[ . 1 . 2]" 3
118 1 33 VAL HA 1 36 MET HG3 . . 4.690 3.231 2.029 4.637 . 0 0 "[ . 1 . 2]" 3
119 1 29 ILE HA 1 29 ILE HG12 . . 4.180 3.030 2.904 3.104 . 0 0 "[ . 1 . 2]" 3
120 1 29 ILE HA 1 29 ILE HG13 . . 3.950 2.282 2.251 2.337 . 0 0 "[ . 1 . 2]" 3
121 1 34 LEU HA 1 34 LEU MD2 . . 4.570 2.127 1.977 2.280 . 0 0 "[ . 1 . 2]" 3
122 1 26 VAL HA 1 29 ILE MG . . 3.500 2.127 1.795 2.613 . 0 0 "[ . 1 . 2]" 3
123 1 13 HIS HB2 1 28 LEU MD2 . . 4.160 3.118 2.310 3.885 . 0 0 "[ . 1 . 2]" 3
124 1 28 LEU HA 1 28 LEU MD1 . . 3.350 2.292 2.009 2.548 . 0 0 "[ . 1 . 2]" 3
125 1 15 CYS HB2 1 28 LEU MD1 . . 3.490 2.746 2.040 3.031 . 0 0 "[ . 1 . 2]" 3
126 1 14 GLN HG3 1 21 ILE MD . . 4.130 3.480 2.770 4.093 . 0 0 "[ . 1 . 2]" 3
127 1 14 GLN HG3 1 21 ILE HG12 . . 4.490 2.341 2.016 2.876 . 0 0 "[ . 1 . 2]" 3
128 1 14 GLN HG3 1 21 ILE MG . . 4.360 4.005 3.629 4.345 . 0 0 "[ . 1 . 2]" 3
129 1 14 GLN HG3 1 21 ILE HA . . 4.300 3.262 2.560 3.844 . 0 0 "[ . 1 . 2]" 3
130 1 12 SER HA 1 21 ILE MG . . 4.690 4.517 3.941 4.690 . 0 0 "[ . 1 . 2]" 3
131 1 33 VAL HA 1 36 MET HG2 . . 4.690 3.436 2.045 4.675 . 0 0 "[ . 1 . 2]" 3
132 1 26 VAL HA 1 29 ILE HB . . 3.910 3.830 3.585 3.905 . 0 0 "[ . 1 . 2]" 3
133 1 26 VAL HA 1 26 VAL MG1 . . 3.530 2.381 2.249 2.447 . 0 0 "[ . 1 . 2]" 3
134 1 22 PHE HB2 1 27 SER HB2 . . 5.500 4.297 2.944 5.378 . 0 0 "[ . 1 . 2]" 3
135 1 22 PHE HB2 1 27 SER HB3 . . 5.500 4.216 2.878 5.433 . 0 0 "[ . 1 . 2]" 3
136 1 29 ILE MG 1 30 GLU HA . . 4.470 3.137 2.966 3.299 . 0 0 "[ . 1 . 2]" 3
137 1 31 HIS HA 1 34 LEU HG . . 4.610 3.139 2.508 3.828 . 0 0 "[ . 1 . 2]" 3
138 1 20 GLU HA 1 21 ILE MG . . 5.500 5.448 5.424 5.467 . 0 0 "[ . 1 . 2]" 3
139 1 29 ILE MD 1 30 GLU HA . . 5.500 5.271 5.105 5.396 . 0 0 "[ . 1 . 2]" 3
140 1 25 TYR HA 1 28 LEU HB2 . . 4.500 3.800 3.255 4.224 . 0 0 "[ . 1 . 2]" 3
141 1 25 TYR HA 1 28 LEU HB3 . . 4.500 3.115 2.790 3.386 . 0 0 "[ . 1 . 2]" 3
142 1 25 TYR HA 1 28 LEU MD2 . . 4.580 3.734 3.338 4.140 . 0 0 "[ . 1 . 2]" 3
143 1 15 CYS HB3 1 28 LEU MD1 . . 4.390 4.096 3.456 4.378 . 0 0 "[ . 1 . 2]" 3
144 1 28 LEU HG 1 32 GLN HG2 . . 5.300 3.575 2.739 4.737 . 0 0 "[ . 1 . 2]" 3
145 1 28 LEU HG 1 32 GLN HG3 . . 5.300 3.259 2.291 5.261 . 0 0 "[ . 1 . 2]" 3
146 1 13 HIS HB3 1 28 LEU MD2 . . 4.160 2.049 1.906 2.280 . 0 0 "[ . 1 . 2]" 3
147 1 14 GLN HG3 1 21 ILE HG13 . . 4.490 2.555 2.052 3.165 . 0 0 "[ . 1 . 2]" 3
148 1 14 GLN HB2 1 21 ILE MD . . 5.350 3.989 2.699 4.727 . 0 0 "[ . 1 . 2]" 3
149 1 18 CYS HB3 1 35 HIS HE1 . . 4.080 2.087 2.000 2.306 . 0 0 "[ . 1 . 2]" 3
150 1 25 TYR QD 1 26 VAL MG2 . . 4.010 3.437 2.868 3.901 . 0 0 "[ . 1 . 2]" 3
151 1 25 TYR QD 1 29 ILE MD . . 4.640 4.013 3.001 4.638 . 0 0 "[ . 1 . 2]" 3
152 1 22 PHE QD 1 27 SER HB2 . . 4.300 3.571 2.009 4.301 0.001 20 0 "[ . 1 . 2]" 3
153 1 22 PHE QD 1 27 SER HB3 . . 4.300 3.096 2.006 4.182 . 0 0 "[ . 1 . 2]" 3
154 1 22 PHE QD 1 28 LEU MD1 . . 3.650 2.604 1.880 3.430 . 0 0 "[ . 1 . 2]" 3
155 1 22 PHE QE 1 31 HIS HB3 . . 4.460 3.538 2.940 4.218 . 0 0 "[ . 1 . 2]" 3
156 1 20 GLU HB2 1 22 PHE QE . . 4.360 3.606 2.212 4.207 . 0 0 "[ . 1 . 2]" 3
157 1 20 GLU HB2 1 22 PHE HZ . . 4.770 3.854 2.796 4.466 . 0 0 "[ . 1 . 2]" 3
158 1 32 GLN HG2 1 35 HIS HD2 . . 5.500 4.319 3.517 5.465 . 0 0 "[ . 1 . 2]" 3
159 1 32 GLN HG3 1 35 HIS HD2 . . 5.500 5.216 4.936 5.462 . 0 0 "[ . 1 . 2]" 3
160 1 28 LEU MD1 1 31 HIS HD2 . . 3.840 2.854 2.414 3.472 . 0 0 "[ . 1 . 2]" 3
161 1 25 TYR QE 1 28 LEU MD2 . . 4.040 3.285 2.593 4.026 . 0 0 "[ . 1 . 2]" 3
162 1 14 GLN HA 1 14 GLN HG3 . . 3.530 2.546 2.351 2.701 . 0 0 "[ . 1 . 2]" 3
163 1 14 GLN HA 1 15 CYS HB3 . . 4.600 4.531 4.350 4.601 0.001 15 0 "[ . 1 . 2]" 3
164 1 13 HIS HA 1 13 HIS HE1 . . 4.700 4.626 4.515 4.700 0.000 16 0 "[ . 1 . 2]" 3
165 1 22 PHE HA 1 22 PHE QD . . 3.890 2.919 2.474 3.255 . 0 0 "[ . 1 . 2]" 3
166 1 23 PHE HA 1 23 PHE QD . . 4.420 2.788 2.206 3.709 . 0 0 "[ . 1 . 2]" 3
167 1 13 HIS HA 1 13 HIS HD2 . . 4.640 4.557 4.412 4.640 . 16 0 "[ . 1 . 2]" 3
168 1 22 PHE H 1 22 PHE QD . . 3.640 2.754 1.940 3.417 . 0 0 "[ . 1 . 2]" 3
169 1 31 HIS HD2 1 32 GLN H . . 4.570 3.426 2.243 4.148 . 0 0 "[ . 1 . 2]" 3
170 1 29 ILE HG12 1 30 GLU HA . . 4.240 4.134 3.906 4.241 0.001 11 0 "[ . 1 . 2]" 3
171 1 28 LEU MD1 1 32 GLN HG2 . . 4.920 3.297 2.534 4.330 . 0 0 "[ . 1 . 2]" 3
172 1 28 LEU MD1 1 32 GLN HG3 . . 4.920 3.535 2.503 4.909 . 0 0 "[ . 1 . 2]" 3
173 1 29 ILE HA 1 32 GLN HG2 . . 4.860 4.064 2.022 4.852 . 0 0 "[ . 1 . 2]" 3
174 1 29 ILE HA 1 32 GLN HG3 . . 4.860 3.225 2.574 3.939 . 0 0 "[ . 1 . 2]" 3
175 1 29 ILE HA 1 29 ILE MG . . 3.500 3.187 3.177 3.197 . 0 0 "[ . 1 . 2]" 3
176 1 29 ILE HA 1 29 ILE MD . . 3.870 3.681 3.660 3.726 . 0 0 "[ . 1 . 2]" 3
177 1 34 LEU HA 1 34 LEU MD1 . . 4.570 3.883 3.845 3.922 . 0 0 "[ . 1 . 2]" 3
178 1 20 GLU HB3 1 22 PHE HZ . . 4.770 3.178 2.147 4.445 . 0 0 "[ . 1 . 2]" 3
179 1 14 GLN HA 1 21 ILE HA . . 3.370 2.423 2.056 2.687 . 0 0 "[ . 1 . 2]" 3
180 1 15 CYS HA 1 28 LEU MD1 . . 3.640 3.282 2.887 3.632 . 0 0 "[ . 1 . 2]" 3
181 1 14 GLN HA 1 15 CYS H . . 3.050 2.261 2.142 2.396 . 0 0 "[ . 1 . 2]" 3
182 1 9 ARG HA 1 9 ARG QD . . 4.650 3.089 2.025 4.359 . 0 0 "[ . 1 . 2]" 3
183 1 10 GLU QB 1 11 LYS HA . . 4.140 4.061 3.775 4.140 0.000 7 0 "[ . 1 . 2]" 3
184 1 12 SER QB 1 21 ILE MG . . 3.600 2.818 2.034 3.516 . 0 0 "[ . 1 . 2]" 3
185 1 13 HIS H 1 13 HIS QB . . 3.660 2.529 2.403 2.667 . 0 0 "[ . 1 . 2]" 3
186 1 13 HIS QB 1 28 LEU QB . . 4.120 3.075 2.387 3.630 . 0 0 "[ . 1 . 2]" 3
187 1 13 HIS QB 1 28 LEU MD2 . . 3.330 2.017 1.883 2.265 . 0 0 "[ . 1 . 2]" 3
188 1 14 GLN HA 1 21 ILE QG . . 4.420 3.123 2.045 3.821 . 0 0 "[ . 1 . 2]" 3
189 1 14 GLN HB2 1 21 ILE QG . . 4.870 2.774 2.024 3.344 . 0 0 "[ . 1 . 2]" 3
190 1 14 GLN HG2 1 19 GLY QA . . 4.030 3.539 3.096 4.029 . 0 0 "[ . 1 . 2]" 3
191 1 14 GLN HG3 1 21 ILE QG . . 3.930 2.153 1.840 2.670 . 0 0 "[ . 1 . 2]" 3
192 1 16 ARG HA 1 16 ARG QG . . 3.740 2.426 2.215 3.343 . 0 0 "[ . 1 . 2]" 3
193 1 16 ARG HA 1 16 ARG QD . . 4.720 3.690 2.007 4.364 . 0 0 "[ . 1 . 2]" 3
194 1 17 GLU H 1 17 GLU QB . . 3.300 2.466 2.124 2.627 . 0 0 "[ . 1 . 2]" 3
195 1 17 GLU H 1 17 GLU QG . . 4.110 3.040 2.003 4.098 . 0 0 "[ . 1 . 2]" 3
196 1 17 GLU HA 1 17 GLU QG . . 3.740 2.575 2.143 2.972 . 0 0 "[ . 1 . 2]" 3
197 1 17 GLU QB 1 18 CYS H . . 3.750 2.473 1.917 2.793 . 0 0 "[ . 1 . 2]" 3
198 1 17 GLU QB 1 35 HIS HD2 . . 4.210 3.053 2.412 3.873 . 0 0 "[ . 1 . 2]" 3
199 1 17 GLU QB 1 35 HIS HE1 . . 4.630 3.415 2.615 4.554 . 0 0 "[ . 1 . 2]" 3
200 1 18 CYS QB 1 35 HIS HE1 . . 3.350 2.072 1.982 2.285 . 0 0 "[ . 1 . 2]" 3
201 1 20 GLU H 1 20 GLU QB . . 3.350 2.672 2.412 2.850 . 0 0 "[ . 1 . 2]" 3
202 1 20 GLU QB 1 21 ILE H . . 3.740 3.211 2.198 3.701 . 0 0 "[ . 1 . 2]" 3
203 1 20 GLU QB 1 22 PHE QE . . 3.750 2.537 1.974 3.627 . 0 0 "[ . 1 . 2]" 3
204 1 20 GLU QB 1 22 PHE HZ . . 4.140 2.984 2.117 3.793 . 0 0 "[ . 1 . 2]" 3
205 1 20 GLU QG 1 21 ILE H . . 4.220 2.956 1.933 4.217 . 0 0 "[ . 1 . 2]" 3
206 1 21 ILE H 1 21 ILE QG . . 3.960 2.621 2.306 3.008 . 0 0 "[ . 1 . 2]" 3
207 1 21 ILE HA 1 21 ILE QG . . 3.630 2.457 2.425 2.520 . 0 0 "[ . 1 . 2]" 3
208 1 22 PHE H 1 22 PHE QB . . 3.590 2.631 2.448 2.825 . 0 0 "[ . 1 . 2]" 3
209 1 22 PHE QB 1 24 GLN H . . 4.040 3.317 2.614 3.864 . 0 0 "[ . 1 . 2]" 3
210 1 22 PHE QB 1 27 SER QB . . 3.800 2.480 1.982 3.465 . 0 0 "[ . 1 . 2]" 3
211 1 22 PHE QB 1 28 LEU QB . . 3.820 2.863 2.120 3.610 . 0 0 "[ . 1 . 2]" 3
212 1 22 PHE QD 1 27 SER QB . . 3.760 2.783 1.983 3.436 . 0 0 "[ . 1 . 2]" 3
213 1 22 PHE QE 1 31 HIS QB . . 3.860 2.954 2.186 3.542 . 0 0 "[ . 1 . 2]" 3
214 1 22 PHE HZ 1 31 HIS QB . . 4.340 3.091 2.421 3.932 . 0 0 "[ . 1 . 2]" 3
215 1 24 GLN H 1 24 GLN QB . . 3.670 2.352 2.185 2.785 . 0 0 "[ . 1 . 2]" 3
216 1 24 GLN H 1 24 GLN QG . . 4.240 3.205 2.254 4.095 . 0 0 "[ . 1 . 2]" 3
217 1 24 GLN H 1 27 SER QB . . 4.340 3.331 3.028 3.605 . 0 0 "[ . 1 . 2]" 3
218 1 24 GLN HA 1 24 GLN QG . . 3.740 2.430 2.175 2.816 . 0 0 "[ . 1 . 2]" 3
219 1 24 GLN QB 1 26 VAL H . . 4.570 3.030 2.718 3.341 . 0 0 "[ . 1 . 2]" 3
220 1 24 GLN QB 1 26 VAL MG2 . . 4.070 3.791 3.247 4.061 . 0 0 "[ . 1 . 2]" 3
221 1 24 GLN QB 1 27 SER H . . 3.830 2.686 2.404 2.865 . 0 0 "[ . 1 . 2]" 3
222 1 24 GLN QB 1 27 SER QB . . 4.060 2.747 2.268 3.225 . 0 0 "[ . 1 . 2]" 3
223 1 25 TYR HA 1 28 LEU QB . . 3.660 2.968 2.717 3.253 . 0 0 "[ . 1 . 2]" 3
224 1 25 TYR QB 1 26 VAL H . . 3.680 2.527 2.144 2.856 . 0 0 "[ . 1 . 2]" 3
225 1 27 SER H 1 27 SER QB . . 3.490 2.341 2.202 2.554 . 0 0 "[ . 1 . 2]" 3
226 1 27 SER HA 1 30 GLU QB . . 3.440 3.071 2.731 3.440 0.000 18 0 "[ . 1 . 2]" 3
227 1 27 SER QB 1 28 LEU H . . 4.060 2.861 2.307 3.556 . 0 0 "[ . 1 . 2]" 3
228 1 28 LEU H 1 28 LEU QB . . 3.420 2.230 2.168 2.263 . 0 0 "[ . 1 . 2]" 3
229 1 28 LEU QB 1 29 ILE H . . 3.760 2.178 1.970 2.384 . 0 0 "[ . 1 . 2]" 3
230 1 28 LEU HG 1 32 GLN QG . . 4.520 2.862 2.270 3.635 . 0 0 "[ . 1 . 2]" 3
231 1 28 LEU MD1 1 32 GLN QG . . 4.300 2.924 2.437 3.481 . 0 0 "[ . 1 . 2]" 3
232 1 29 ILE HA 1 32 GLN QB . . 4.030 3.256 2.760 3.924 . 0 0 "[ . 1 . 2]" 3
233 1 29 ILE HA 1 32 GLN QG . . 4.160 3.001 1.997 3.467 . 0 0 "[ . 1 . 2]" 3
234 1 30 GLU H 1 30 GLU QB . . 3.400 2.259 2.155 2.437 . 0 0 "[ . 1 . 2]" 3
235 1 30 GLU H 1 30 GLU QG . . 4.290 3.324 2.407 4.103 . 0 0 "[ . 1 . 2]" 3
236 1 30 GLU HA 1 30 GLU QG . . 3.480 2.647 2.193 3.462 . 0 0 "[ . 1 . 2]" 3
237 1 30 GLU QB 1 31 HIS H . . 3.890 2.610 2.312 3.595 . 0 0 "[ . 1 . 2]" 3
238 1 31 HIS H 1 31 HIS QB . . 3.160 2.195 2.148 2.240 . 0 0 "[ . 1 . 2]" 3
239 1 31 HIS HA 1 34 LEU QD . . 4.470 2.505 1.865 3.419 . 0 0 "[ . 1 . 2]" 3
240 1 31 HIS QB 1 32 GLN H . . 3.870 2.673 2.413 2.947 . 0 0 "[ . 1 . 2]" 3
241 1 31 HIS QB 1 32 GLN HA . . 5.340 4.341 4.170 4.421 . 0 0 "[ . 1 . 2]" 3
242 1 32 GLN H 1 32 GLN QB . . 3.440 2.411 2.295 2.552 . 0 0 "[ . 1 . 2]" 3
243 1 32 GLN H 1 32 GLN QG . . 3.610 2.313 2.001 2.635 . 0 0 "[ . 1 . 2]" 3
244 1 32 GLN HA 1 32 GLN QG . . 3.680 2.575 2.154 3.337 . 0 0 "[ . 1 . 2]" 3
245 1 32 GLN HA 1 35 HIS QB . . 5.340 3.437 2.783 4.066 . 0 0 "[ . 1 . 2]" 3
246 1 33 VAL H 1 33 VAL QG . . 3.340 2.093 1.894 2.288 . 0 0 "[ . 1 . 2]" 3
247 1 33 VAL HA 1 36 MET QG . . 4.050 2.789 1.967 3.938 . 0 0 "[ . 1 . 2]" 3
248 1 34 LEU H 1 34 LEU QB . . 3.530 2.448 2.331 2.614 . 0 0 "[ . 1 . 2]" 3
249 1 34 LEU HA 1 34 LEU QD . . 3.380 2.117 1.971 2.266 . 0 0 "[ . 1 . 2]" 3
250 1 35 HIS H 1 35 HIS QB . . 3.630 2.429 2.313 2.648 . 0 0 "[ . 1 . 2]" 3
251 1 35 HIS QB 1 35 HIS HD2 . . 3.470 2.628 2.624 2.637 . 0 0 "[ . 1 . 2]" 3
252 1 36 MET H 1 36 MET QB . . 3.600 2.537 2.125 3.064 . 0 0 "[ . 1 . 2]" 3
253 1 36 MET HA 1 36 MET QG . . 3.690 2.935 2.180 3.431 . 0 0 "[ . 1 . 2]" 3
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