NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507804 |
2en9   |
10170 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2en9
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 54
_Distance_constraint_stats_list.Viol_total 2.147
_Distance_constraint_stats_list.Viol_max 0.013
_Distance_constraint_stats_list.Viol_rms 0.0014
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0020
_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 0.039 0.013 17 0 "[ . 1 . 2]"
1 18 CYS 0.063 0.013 17 0 "[ . 1 . 2]"
1 31 HIS 0.061 0.010 17 0 "[ . 1 . 2]"
1 35 HIS 0.016 0.004 20 0 "[ . 1 . 2]"
2 1 ZN 0.036 0.006 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 15 CYS SG 2 1 ZN ZN . 2.190 2.390 2.336 2.212 2.391 0.001 14 0 "[ . 1 . 2]" 1
2 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.393 3.248 3.510 0.002 18 0 "[ . 1 . 2]" 1
3 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.221 2.184 2.362 0.006 4 0 "[ . 1 . 2]" 1
4 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.493 3.414 3.516 0.006 4 0 "[ . 1 . 2]" 1
5 1 31 HIS NE2 2 1 ZN ZN . . 2.100 2.082 2.037 2.103 0.003 4 0 "[ . 1 . 2]" 1
6 1 35 HIS NE2 2 1 ZN ZN . . 2.100 2.037 1.902 2.100 0.000 10 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.930 3.795 3.973 0.013 17 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.669 3.402 3.725 0.005 20 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.549 3.321 3.720 . 1 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.335 3.310 3.422 0.010 17 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.617 3.325 3.721 0.001 17 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.038 2.996 3.235 0.004 20 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 453
_Distance_constraint_stats_list.Viol_count 331
_Distance_constraint_stats_list.Viol_total 174.762
_Distance_constraint_stats_list.Viol_max 0.280
_Distance_constraint_stats_list.Viol_rms 0.0091
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0264
_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 ALA 0.003 0.003 8 0 "[ . 1 . 2]"
1 9 GLY 0.091 0.084 20 0 "[ . 1 . 2]"
1 10 LYS 0.288 0.141 2 0 "[ . 1 . 2]"
1 11 LYS 0.995 0.130 15 0 "[ . 1 . 2]"
1 12 LEU 1.643 0.130 15 0 "[ . 1 . 2]"
1 13 PHE 1.868 0.164 7 0 "[ . 1 . 2]"
1 14 LYS 0.970 0.164 7 0 "[ . 1 . 2]"
1 15 CYS 0.256 0.053 17 0 "[ . 1 . 2]"
1 16 ASN 0.192 0.124 17 0 "[ . 1 . 2]"
1 17 GLU 0.523 0.124 17 0 "[ . 1 . 2]"
1 18 CYS 0.054 0.012 18 0 "[ . 1 . 2]"
1 19 LYS 0.088 0.017 13 0 "[ . 1 . 2]"
1 20 LYS 0.693 0.091 19 0 "[ . 1 . 2]"
1 21 THR 0.871 0.091 19 0 "[ . 1 . 2]"
1 22 PHE 0.110 0.024 18 0 "[ . 1 . 2]"
1 23 THR 0.006 0.006 20 0 "[ . 1 . 2]"
1 24 GLN 0.081 0.033 17 0 "[ . 1 . 2]"
1 25 SER 0.038 0.015 3 0 "[ . 1 . 2]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 SER 0.161 0.039 4 0 "[ . 1 . 2]"
1 28 LEU 0.223 0.040 4 0 "[ . 1 . 2]"
1 29 THR 0.464 0.125 4 0 "[ . 1 . 2]"
1 30 VAL 0.509 0.125 4 0 "[ . 1 . 2]"
1 31 HIS 0.213 0.060 7 0 "[ . 1 . 2]"
1 32 GLN 0.781 0.105 20 0 "[ . 1 . 2]"
1 33 ARG 0.648 0.221 13 0 "[ . 1 . 2]"
1 34 ILE 0.239 0.033 6 0 "[ . 1 . 2]"
1 35 HIS 0.156 0.025 4 0 "[ . 1 . 2]"
1 36 THR 0.512 0.082 13 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.174 0.139 11 0 "[ . 1 . 2]"
1 39 LYS 1.143 0.280 14 0 "[ . 1 . 2]"
1 40 PRO 1.041 0.280 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 11 LYS H 1 12 LEU H . . 4.650 4.592 4.406 4.651 0.001 2 0 "[ . 1 . 2]" 2
2 1 9 GLY QA 1 11 LYS H . . 4.830 3.795 3.116 4.914 0.084 20 0 "[ . 1 . 2]" 2
3 1 11 LYS H 1 11 LYS QB . . 3.530 2.253 2.087 2.593 . 0 0 "[ . 1 . 2]" 2
4 1 10 LYS H 1 11 LYS H . . 4.980 2.626 1.801 4.422 . 0 0 "[ . 1 . 2]" 2
5 1 11 LYS H 1 12 LEU MD1 . . 5.030 4.011 3.433 4.311 . 0 0 "[ . 1 . 2]" 2
6 1 8 ALA MB 1 9 GLY H . . 4.960 3.143 2.140 3.698 . 0 0 "[ . 1 . 2]" 2
7 1 15 CYS H 1 20 LYS H . . 4.840 3.037 1.995 3.591 . 0 0 "[ . 1 . 2]" 2
8 1 20 LYS H 1 22 PHE QE . . 5.500 5.147 4.568 5.476 . 0 0 "[ . 1 . 2]" 2
9 1 15 CYS HB3 1 20 LYS H . . 4.400 1.968 1.881 2.754 . 0 0 "[ . 1 . 2]" 2
10 1 19 LYS HB3 1 20 LYS H . . 5.300 4.418 4.330 4.491 . 0 0 "[ . 1 . 2]" 2
11 1 19 LYS HB2 1 20 LYS H . . 5.300 4.332 4.233 4.449 . 0 0 "[ . 1 . 2]" 2
12 1 20 LYS H 1 20 LYS HB2 . . 3.720 2.964 2.729 3.308 . 0 0 "[ . 1 . 2]" 2
13 1 20 LYS H 1 20 LYS HB3 . . 3.720 2.690 2.565 2.903 . 0 0 "[ . 1 . 2]" 2
14 1 18 CYS HA 1 20 LYS H . . 5.500 4.987 4.602 5.296 . 0 0 "[ . 1 . 2]" 2
15 1 20 LYS H 1 21 THR HA . . 5.500 4.969 4.724 5.135 . 0 0 "[ . 1 . 2]" 2
16 1 12 LEU H 1 13 PHE H . . 3.830 1.822 1.739 2.000 . 0 0 "[ . 1 . 2]" 2
17 1 12 LEU H 1 13 PHE QE . . 5.500 5.415 4.693 5.589 0.089 17 0 "[ . 1 . 2]" 2
18 1 11 LYS HA 1 12 LEU H . . 3.160 2.315 2.192 2.454 . 0 0 "[ . 1 . 2]" 2
19 1 12 LEU H 1 12 LEU MD1 . . 3.840 2.077 1.864 2.304 . 0 0 "[ . 1 . 2]" 2
20 1 12 LEU H 1 13 PHE QD . . 4.850 4.398 3.489 4.713 . 0 0 "[ . 1 . 2]" 2
21 1 12 LEU H 1 21 THR HB . . 5.130 4.937 4.515 5.159 0.029 9 0 "[ . 1 . 2]" 2
22 1 11 LYS QB 1 12 LEU H . . 3.930 3.299 2.927 3.541 . 0 0 "[ . 1 . 2]" 2
23 1 13 PHE H 1 13 PHE QE . . 4.920 4.755 4.027 5.083 0.163 12 0 "[ . 1 . 2]" 2
24 1 13 PHE H 1 13 PHE QD . . 3.820 3.305 2.772 3.556 . 0 0 "[ . 1 . 2]" 2
25 1 11 LYS HA 1 13 PHE H . . 4.630 3.962 3.824 4.158 . 0 0 "[ . 1 . 2]" 2
26 1 13 PHE H 1 21 THR HB . . 4.760 4.455 3.845 4.766 0.006 6 0 "[ . 1 . 2]" 2
27 1 13 PHE H 1 13 PHE HB2 . . 4.160 3.003 2.646 3.723 . 0 0 "[ . 1 . 2]" 2
28 1 13 PHE H 1 13 PHE HB3 . . 4.160 3.807 3.472 3.891 . 0 0 "[ . 1 . 2]" 2
29 1 12 LEU HB2 1 13 PHE H . . 4.500 3.431 3.020 3.701 . 0 0 "[ . 1 . 2]" 2
30 1 13 PHE H 1 28 LEU MD2 . . 4.970 4.743 4.280 4.971 0.001 10 0 "[ . 1 . 2]" 2
31 1 12 LEU MD1 1 13 PHE H . . 3.860 3.400 3.254 3.729 . 0 0 "[ . 1 . 2]" 2
32 1 15 CYS HB3 1 17 GLU H . . 4.790 3.387 2.685 3.879 . 0 0 "[ . 1 . 2]" 2
33 1 17 GLU H 1 17 GLU HB2 . . 3.930 2.849 2.711 2.916 . 0 0 "[ . 1 . 2]" 2
34 1 17 GLU H 1 17 GLU HB3 . . 3.930 3.852 3.745 3.885 . 0 0 "[ . 1 . 2]" 2
35 1 16 ASN QB 1 17 GLU H . . 4.150 3.829 3.558 3.929 . 0 0 "[ . 1 . 2]" 2
36 1 9 GLY H 1 10 LYS H . . 4.530 3.645 1.897 4.533 0.003 8 0 "[ . 1 . 2]" 2
37 1 37 GLY H 1 38 GLU H . . 3.660 2.446 1.797 3.210 . 0 0 "[ . 1 . 2]" 2
38 1 36 THR H 1 38 GLU H . . 4.630 4.304 3.788 4.630 . 0 0 "[ . 1 . 2]" 2
39 1 9 GLY QA 1 10 LYS H . . 3.050 2.275 2.113 2.773 . 0 0 "[ . 1 . 2]" 2
40 1 38 GLU H 1 38 GLU HB3 . . 3.830 3.350 2.309 3.855 0.025 4 0 "[ . 1 . 2]" 2
41 1 10 LYS H 1 10 LYS HB3 . . 3.510 2.775 2.488 3.076 . 0 0 "[ . 1 . 2]" 2
42 1 31 HIS H 1 33 ARG H . . 4.310 4.108 3.804 4.370 0.060 7 0 "[ . 1 . 2]" 2
43 1 31 HIS H 1 31 HIS HB3 . . 3.560 2.199 2.149 2.235 . 0 0 "[ . 1 . 2]" 2
44 1 29 THR H 1 31 HIS H . . 4.420 3.935 3.815 4.211 . 0 0 "[ . 1 . 2]" 2
45 1 31 HIS H 1 31 HIS HD2 . . 4.640 4.455 4.285 4.613 . 0 0 "[ . 1 . 2]" 2
46 1 29 THR HA 1 31 HIS H . . 4.440 4.013 3.763 4.359 . 0 0 "[ . 1 . 2]" 2
47 1 31 HIS H 1 31 HIS HB2 . . 3.560 3.087 2.892 3.206 . 0 0 "[ . 1 . 2]" 2
48 1 30 VAL HB 1 31 HIS H . . 4.310 3.926 2.681 4.200 . 0 0 "[ . 1 . 2]" 2
49 1 29 THR MG 1 31 HIS H . . 4.700 4.550 4.437 4.690 . 0 0 "[ . 1 . 2]" 2
50 1 30 VAL MG1 1 31 HIS H . . 4.420 2.364 1.928 3.360 . 0 0 "[ . 1 . 2]" 2
51 1 30 VAL H 1 32 GLN H . . 4.560 4.153 3.989 4.361 . 0 0 "[ . 1 . 2]" 2
52 1 30 VAL H 1 33 ARG H . . 5.500 5.280 5.022 5.499 . 0 0 "[ . 1 . 2]" 2
53 1 28 LEU H 1 30 VAL H . . 4.630 4.537 4.305 4.670 0.040 4 0 "[ . 1 . 2]" 2
54 1 29 THR HB 1 30 VAL H . . 3.330 2.214 2.079 2.386 . 0 0 "[ . 1 . 2]" 2
55 1 28 LEU HA 1 30 VAL H . . 5.500 4.878 4.576 5.170 . 0 0 "[ . 1 . 2]" 2
56 1 30 VAL H 1 33 ARG QD . . 5.500 4.762 3.850 5.614 0.114 20 0 "[ . 1 . 2]" 2
57 1 30 VAL H 1 30 VAL HB . . 3.310 2.456 2.363 2.521 . 0 0 "[ . 1 . 2]" 2
58 1 29 THR MG 1 30 VAL H . . 3.690 3.090 2.654 3.330 . 0 0 "[ . 1 . 2]" 2
59 1 33 ARG H 1 34 ILE H . . 3.280 2.732 2.314 2.948 . 0 0 "[ . 1 . 2]" 2
60 1 34 ILE H 1 35 HIS H . . 3.540 2.735 2.501 2.918 . 0 0 "[ . 1 . 2]" 2
61 1 22 PHE H 1 22 PHE QD . . 3.820 2.780 2.451 3.162 . 0 0 "[ . 1 . 2]" 2
62 1 22 PHE H 1 22 PHE QE . . 5.250 4.896 4.579 5.232 . 0 0 "[ . 1 . 2]" 2
63 1 35 HIS H 1 35 HIS HD2 . . 3.890 3.238 2.809 3.566 . 0 0 "[ . 1 . 2]" 2
64 1 21 THR HB 1 22 PHE H . . 3.710 2.628 1.991 3.734 0.024 18 0 "[ . 1 . 2]" 2
65 1 32 GLN HA 1 35 HIS H . . 4.310 3.472 3.215 4.049 . 0 0 "[ . 1 . 2]" 2
66 1 35 HIS H 1 35 HIS HB2 . . 3.700 2.631 2.548 2.738 . 0 0 "[ . 1 . 2]" 2
67 1 35 HIS H 1 35 HIS HB3 . . 3.700 3.606 3.581 3.669 . 0 0 "[ . 1 . 2]" 2
68 1 32 GLN QG 1 33 ARG H . . 4.420 4.123 3.441 4.355 . 0 0 "[ . 1 . 2]" 2
69 1 34 ILE HB 1 35 HIS H . . 3.170 2.640 2.391 2.960 . 0 0 "[ . 1 . 2]" 2
70 1 33 ARG H 1 36 THR MG . . 4.460 4.106 3.512 4.470 0.010 1 0 "[ . 1 . 2]" 2
71 1 35 HIS H 1 36 THR MG . . 4.660 3.741 3.325 4.002 . 0 0 "[ . 1 . 2]" 2
72 1 21 THR MG 1 22 PHE H . . 3.670 3.490 3.037 3.664 . 0 0 "[ . 1 . 2]" 2
73 1 12 LEU MD2 1 22 PHE H . . 4.660 3.997 3.284 4.579 . 0 0 "[ . 1 . 2]" 2
74 1 34 ILE MG 1 35 HIS H . . 3.590 3.057 2.803 3.473 . 0 0 "[ . 1 . 2]" 2
75 1 33 ARG H 1 34 ILE MD . . 3.540 3.450 3.158 3.551 0.011 20 0 "[ . 1 . 2]" 2
76 1 23 THR H 1 24 GLN H . . 4.950 2.893 2.550 3.016 . 0 0 "[ . 1 . 2]" 2
77 1 22 PHE H 1 24 GLN H . . 4.860 4.665 4.222 4.862 0.002 19 0 "[ . 1 . 2]" 2
78 1 27 SER H 1 29 THR H . . 4.410 4.320 4.172 4.424 0.014 6 0 "[ . 1 . 2]" 2
79 1 24 GLN H 1 27 SER H . . 4.490 4.289 4.046 4.498 0.008 4 0 "[ . 1 . 2]" 2
80 1 22 PHE QD 1 27 SER H . . 5.430 5.256 5.008 5.425 . 0 0 "[ . 1 . 2]" 2
81 1 22 PHE QD 1 24 GLN H . . 4.850 4.619 4.328 4.820 . 0 0 "[ . 1 . 2]" 2
82 1 24 GLN H 1 27 SER QB . . 3.940 3.094 2.671 3.859 . 0 0 "[ . 1 . 2]" 2
83 1 27 SER H 1 27 SER QB . . 3.390 2.320 2.155 2.697 . 0 0 "[ . 1 . 2]" 2
84 1 22 PHE HB2 1 24 GLN H . . 4.240 3.222 2.541 3.670 . 0 0 "[ . 1 . 2]" 2
85 1 27 SER H 1 28 LEU HA . . 5.350 5.285 5.185 5.352 0.002 11 0 "[ . 1 . 2]" 2
86 1 22 PHE HB3 1 24 GLN H . . 4.240 2.796 2.510 3.079 . 0 0 "[ . 1 . 2]" 2
87 1 24 GLN H 1 24 GLN QG . . 3.660 3.244 2.813 3.685 0.025 8 0 "[ . 1 . 2]" 2
88 1 24 GLN QG 1 27 SER H . . 4.940 4.733 4.158 4.973 0.033 17 0 "[ . 1 . 2]" 2
89 1 24 GLN H 1 24 GLN HB3 . . 4.040 3.757 3.626 3.868 . 0 0 "[ . 1 . 2]" 2
90 1 24 GLN HB3 1 27 SER H . . 4.010 3.257 2.259 3.971 . 0 0 "[ . 1 . 2]" 2
91 1 24 GLN H 1 24 GLN HB2 . . 4.040 2.652 2.478 2.856 . 0 0 "[ . 1 . 2]" 2
92 1 24 GLN HB2 1 27 SER H . . 4.010 3.071 2.874 3.323 . 0 0 "[ . 1 . 2]" 2
93 1 23 THR MG 1 24 GLN H . . 4.220 3.236 1.975 3.741 . 0 0 "[ . 1 . 2]" 2
94 1 17 GLU H 1 18 CYS H . . 3.410 1.990 1.900 2.086 . 0 0 "[ . 1 . 2]" 2
95 1 16 ASN HA 1 18 CYS H . . 5.030 4.552 4.400 4.762 . 0 0 "[ . 1 . 2]" 2
96 1 18 CYS H 1 19 LYS HA . . 4.430 4.097 4.001 4.179 . 0 0 "[ . 1 . 2]" 2
97 1 15 CYS HB3 1 18 CYS H . . 3.810 3.084 2.002 3.733 . 0 0 "[ . 1 . 2]" 2
98 1 17 GLU HG3 1 18 CYS H . . 4.550 3.987 3.794 4.562 0.012 18 0 "[ . 1 . 2]" 2
99 1 17 GLU HB2 1 18 CYS H . . 3.850 2.508 2.371 2.612 . 0 0 "[ . 1 . 2]" 2
100 1 17 GLU HB3 1 18 CYS H . . 3.850 3.770 3.643 3.859 0.009 6 0 "[ . 1 . 2]" 2
101 1 32 GLN H 1 34 ILE H . . 4.650 4.190 3.961 4.402 . 0 0 "[ . 1 . 2]" 2
102 1 29 THR H 1 30 VAL H . . 3.580 3.014 2.905 3.156 . 0 0 "[ . 1 . 2]" 2
103 1 28 LEU H 1 29 THR H . . 3.490 2.716 2.547 2.977 . 0 0 "[ . 1 . 2]" 2
104 1 31 HIS HA 1 34 ILE H . . 4.290 3.691 3.243 3.987 . 0 0 "[ . 1 . 2]" 2
105 1 29 THR H 1 29 THR HB . . 3.330 2.592 2.433 2.716 . 0 0 "[ . 1 . 2]" 2
106 1 32 GLN HA 1 34 ILE H . . 4.510 3.809 3.435 4.156 . 0 0 "[ . 1 . 2]" 2
107 1 33 ARG QD 1 34 ILE H . . 4.710 4.352 3.245 4.743 0.033 6 0 "[ . 1 . 2]" 2
108 1 33 ARG HB2 1 34 ILE H . . 4.630 3.403 2.565 4.336 . 0 0 "[ . 1 . 2]" 2
109 1 34 ILE H 1 34 ILE HB . . 3.460 2.372 2.283 2.542 . 0 0 "[ . 1 . 2]" 2
110 1 28 LEU HG 1 29 THR H . . 4.180 3.141 2.760 3.333 . 0 0 "[ . 1 . 2]" 2
111 1 29 THR H 1 29 THR MG . . 3.850 3.766 3.750 3.772 . 0 0 "[ . 1 . 2]" 2
112 1 28 LEU MD2 1 29 THR H . . 5.300 4.041 3.816 4.183 . 0 0 "[ . 1 . 2]" 2
113 1 34 ILE H 1 34 ILE HG12 . . 4.380 3.862 2.374 4.088 . 0 0 "[ . 1 . 2]" 2
114 1 25 SER HA 1 29 THR H . . 4.420 4.193 3.594 4.435 0.015 3 0 "[ . 1 . 2]" 2
115 1 17 GLU H 1 19 LYS H . . 4.490 2.631 2.453 2.885 . 0 0 "[ . 1 . 2]" 2
116 1 15 CYS HB3 1 19 LYS H . . 3.940 3.366 2.613 3.888 . 0 0 "[ . 1 . 2]" 2
117 1 18 CYS HB3 1 19 LYS H . . 5.000 4.450 4.266 4.553 . 0 0 "[ . 1 . 2]" 2
118 1 19 LYS H 1 19 LYS HB3 . . 4.120 3.997 3.875 4.099 . 0 0 "[ . 1 . 2]" 2
119 1 19 LYS H 1 19 LYS HB2 . . 4.120 3.492 3.163 3.761 . 0 0 "[ . 1 . 2]" 2
120 1 19 LYS H 1 19 LYS HD3 . . 4.200 2.748 2.124 3.867 . 0 0 "[ . 1 . 2]" 2
121 1 29 THR H 1 32 GLN H . . 5.010 4.677 4.468 4.828 . 0 0 "[ . 1 . 2]" 2
122 1 31 HIS H 1 32 GLN H . . 3.580 2.370 2.224 2.612 . 0 0 "[ . 1 . 2]" 2
123 1 32 GLN H 1 33 ARG H . . 3.610 2.607 2.520 2.693 . 0 0 "[ . 1 . 2]" 2
124 1 31 HIS HD2 1 32 GLN H . . 4.080 3.816 3.365 4.083 0.003 8 0 "[ . 1 . 2]" 2
125 1 29 THR HA 1 32 GLN H . . 4.150 3.331 3.145 3.494 . 0 0 "[ . 1 . 2]" 2
126 1 32 GLN H 1 32 GLN QG . . 4.160 3.610 1.795 4.060 . 0 0 "[ . 1 . 2]" 2
127 1 32 GLN H 1 32 GLN HB2 . . 4.100 2.334 2.187 2.964 . 0 0 "[ . 1 . 2]" 2
128 1 28 LEU HG 1 32 GLN H . . 4.820 4.545 4.147 4.826 0.006 6 0 "[ . 1 . 2]" 2
129 1 29 THR MG 1 32 GLN H . . 4.520 4.290 4.077 4.558 0.038 20 0 "[ . 1 . 2]" 2
130 1 28 LEU MD1 1 32 GLN H . . 3.760 3.687 3.534 3.769 0.009 6 0 "[ . 1 . 2]" 2
131 1 16 ASN H 1 17 GLU H . . 5.090 3.098 2.720 3.366 . 0 0 "[ . 1 . 2]" 2
132 1 16 ASN QB 1 16 ASN HD22 . . 3.540 3.256 3.213 3.389 . 0 0 "[ . 1 . 2]" 2
133 1 15 CYS H 1 19 LYS H . . 4.810 4.700 4.005 4.821 0.011 4 0 "[ . 1 . 2]" 2
134 1 15 CYS H 1 15 CYS HB2 . . 4.140 2.693 2.296 3.040 . 0 0 "[ . 1 . 2]" 2
135 1 14 LYS QD 1 15 CYS H . . 5.250 3.917 1.901 5.180 . 0 0 "[ . 1 . 2]" 2
136 1 14 LYS QG 1 15 CYS H . . 4.110 3.193 2.246 4.106 . 0 0 "[ . 1 . 2]" 2
137 1 15 CYS H 1 28 LEU MD2 . . 4.220 4.075 3.641 4.225 0.005 4 0 "[ . 1 . 2]" 2
138 1 14 LYS HB2 1 15 CYS H . . 4.980 3.871 2.821 4.600 . 0 0 "[ . 1 . 2]" 2
139 1 16 ASN H 1 32 GLN HE22 . . 5.200 4.067 2.709 4.957 . 0 0 "[ . 1 . 2]" 2
140 1 15 CYS H 1 32 GLN HE22 . . 5.210 5.134 4.764 5.223 0.013 8 0 "[ . 1 . 2]" 2
141 1 32 GLN H 1 32 GLN HE22 . . 5.340 5.059 4.635 5.428 0.088 20 0 "[ . 1 . 2]" 2
142 1 15 CYS HA 1 32 GLN HE22 . . 4.410 2.855 2.206 3.186 . 0 0 "[ . 1 . 2]" 2
143 1 15 CYS HA 1 32 GLN HE21 . . 4.880 4.368 2.899 4.881 0.001 10 0 "[ . 1 . 2]" 2
144 1 29 THR HA 1 32 GLN HE21 . . 5.000 4.140 3.102 5.072 0.072 20 0 "[ . 1 . 2]" 2
145 1 32 GLN H 1 32 GLN HE21 . . 4.590 3.862 3.193 4.345 . 0 0 "[ . 1 . 2]" 2
146 1 29 THR HA 1 32 GLN HE22 . . 5.500 5.285 4.736 5.524 0.024 4 0 "[ . 1 . 2]" 2
147 1 32 GLN HA 1 32 GLN HE21 . . 4.540 3.231 1.884 4.051 . 0 0 "[ . 1 . 2]" 2
148 1 32 GLN HA 1 32 GLN HE22 . . 4.750 4.069 3.551 4.855 0.105 20 0 "[ . 1 . 2]" 2
149 1 32 GLN HE21 1 32 GLN QG . . 3.200 2.500 2.153 2.710 . 0 0 "[ . 1 . 2]" 2
150 1 15 CYS HB2 1 32 GLN HE22 . . 3.750 3.234 2.590 3.764 0.014 20 0 "[ . 1 . 2]" 2
151 1 32 GLN HB2 1 32 GLN HE21 . . 4.340 2.569 1.957 4.315 . 0 0 "[ . 1 . 2]" 2
152 1 32 GLN HB3 1 32 GLN HE21 . . 4.340 3.460 2.088 3.826 . 0 0 "[ . 1 . 2]" 2
153 1 28 LEU HG 1 32 GLN HE22 . . 4.400 3.630 2.989 4.415 0.015 8 0 "[ . 1 . 2]" 2
154 1 28 LEU HG 1 32 GLN HE21 . . 4.420 3.289 2.188 4.424 0.004 19 0 "[ . 1 . 2]" 2
155 1 28 LEU MD1 1 32 GLN HE21 . . 3.510 2.418 1.856 2.978 . 0 0 "[ . 1 . 2]" 2
156 1 28 LEU MD1 1 32 GLN HE22 . . 3.520 2.221 1.856 3.372 . 0 0 "[ . 1 . 2]" 2
157 1 23 THR MG 1 24 GLN HE21 . . 4.890 3.313 1.910 4.871 . 0 0 "[ . 1 . 2]" 2
158 1 23 THR MG 1 24 GLN HE22 . . 4.890 4.223 2.044 4.896 0.006 20 0 "[ . 1 . 2]" 2
159 1 36 THR H 1 37 GLY H . . 3.920 2.737 2.158 3.192 . 0 0 "[ . 1 . 2]" 2
160 1 35 HIS H 1 36 THR H . . 3.290 2.492 2.190 2.600 . 0 0 "[ . 1 . 2]" 2
161 1 35 HIS HD2 1 36 THR H . . 5.320 4.736 4.313 5.092 . 0 0 "[ . 1 . 2]" 2
162 1 34 ILE HA 1 36 THR H . . 4.810 4.330 4.044 4.565 . 0 0 "[ . 1 . 2]" 2
163 1 35 HIS HB2 1 36 THR H . . 4.140 2.842 2.645 3.142 . 0 0 "[ . 1 . 2]" 2
164 1 35 HIS HB3 1 36 THR H . . 4.140 3.970 3.856 4.152 0.012 11 0 "[ . 1 . 2]" 2
165 1 34 ILE HB 1 36 THR H . . 5.130 4.871 4.680 5.046 . 0 0 "[ . 1 . 2]" 2
166 1 36 THR H 1 36 THR MG . . 3.400 2.065 1.834 2.438 . 0 0 "[ . 1 . 2]" 2
167 1 34 ILE MG 1 36 THR H . . 4.730 4.688 4.509 4.747 0.017 4 0 "[ . 1 . 2]" 2
168 1 34 ILE MD 1 36 THR H . . 5.500 5.249 4.986 5.429 . 0 0 "[ . 1 . 2]" 2
169 1 21 THR H 1 22 PHE H . . 4.550 4.436 4.392 4.480 . 0 0 "[ . 1 . 2]" 2
170 1 20 LYS H 1 21 THR H . . 4.530 4.490 4.365 4.554 0.024 17 0 "[ . 1 . 2]" 2
171 1 21 THR H 1 22 PHE QE . . 5.190 4.458 4.271 4.992 . 0 0 "[ . 1 . 2]" 2
172 1 20 LYS HA 1 21 THR H . . 3.220 2.344 2.283 2.487 . 0 0 "[ . 1 . 2]" 2
173 1 20 LYS HE2 1 21 THR H . . 5.500 4.732 2.482 5.485 . 0 0 "[ . 1 . 2]" 2
174 1 20 LYS HE3 1 21 THR H . . 5.500 4.746 3.728 5.501 0.001 11 0 "[ . 1 . 2]" 2
175 1 20 LYS HG3 1 21 THR H . . 3.510 2.249 1.848 2.917 . 0 0 "[ . 1 . 2]" 2
176 1 20 LYS HG2 1 21 THR H . . 3.510 2.632 1.898 3.601 0.091 19 0 "[ . 1 . 2]" 2
177 1 21 THR H 1 21 THR MG . . 3.700 2.965 2.083 3.321 . 0 0 "[ . 1 . 2]" 2
178 1 35 HIS H 1 37 GLY H . . 4.740 4.287 3.745 4.739 . 0 0 "[ . 1 . 2]" 2
179 1 36 THR MG 1 37 GLY H . . 4.380 3.715 1.823 4.295 . 0 0 "[ . 1 . 2]" 2
180 1 13 PHE H 1 14 LYS H . . 4.460 4.324 4.057 4.414 . 0 0 "[ . 1 . 2]" 2
181 1 13 PHE QD 1 14 LYS H . . 4.530 4.226 4.085 4.385 . 0 0 "[ . 1 . 2]" 2
182 1 13 PHE HA 1 14 LYS H . . 3.150 2.202 2.141 2.257 . 0 0 "[ . 1 . 2]" 2
183 1 13 PHE HB2 1 14 LYS H . . 4.200 3.795 2.862 4.231 0.031 3 0 "[ . 1 . 2]" 2
184 1 13 PHE HB3 1 14 LYS H . . 4.200 3.257 2.896 3.765 . 0 0 "[ . 1 . 2]" 2
185 1 14 LYS H 1 14 LYS HB3 . . 3.970 2.869 2.587 3.265 . 0 0 "[ . 1 . 2]" 2
186 1 12 LEU MD2 1 14 LYS H . . 5.500 5.215 5.039 5.524 0.024 18 0 "[ . 1 . 2]" 2
187 1 22 PHE H 1 28 LEU H . . 5.500 5.350 4.912 5.518 0.018 8 0 "[ . 1 . 2]" 2
188 1 28 LEU H 1 28 LEU HG . . 4.460 4.296 4.154 4.458 . 0 0 "[ . 1 . 2]" 2
189 1 38 GLU H 1 39 LYS H . . 4.850 4.518 4.241 4.631 . 0 0 "[ . 1 . 2]" 2
190 1 22 PHE QD 1 28 LEU H . . 4.290 3.876 3.484 4.283 . 0 0 "[ . 1 . 2]" 2
191 1 38 GLU HA 1 39 LYS H . . 2.750 2.318 2.139 2.568 . 0 0 "[ . 1 . 2]" 2
192 1 27 SER QB 1 28 LEU H . . 3.630 2.612 2.406 3.237 . 0 0 "[ . 1 . 2]" 2
193 1 25 SER HA 1 28 LEU H . . 3.880 3.342 3.128 3.742 . 0 0 "[ . 1 . 2]" 2
194 1 38 GLU HG2 1 39 LYS H . . 5.500 4.465 3.531 5.413 . 0 0 "[ . 1 . 2]" 2
195 1 38 GLU HG3 1 39 LYS H . . 5.500 4.645 3.579 5.348 . 0 0 "[ . 1 . 2]" 2
196 1 39 LYS H 1 39 LYS QG . . 3.680 2.432 1.886 3.753 0.073 16 0 "[ . 1 . 2]" 2
197 1 28 LEU H 1 28 LEU MD1 . . 4.720 4.189 4.102 4.236 . 0 0 "[ . 1 . 2]" 2
198 1 28 LEU H 1 28 LEU MD2 . . 5.250 4.167 4.113 4.226 . 0 0 "[ . 1 . 2]" 2
199 1 8 ALA H 1 9 GLY QA . . 4.590 4.456 4.226 4.593 0.003 8 0 "[ . 1 . 2]" 2
200 1 14 LYS QE 1 20 LYS H . . 5.150 4.791 3.792 5.179 0.029 9 0 "[ . 1 . 2]" 2
201 1 12 LEU MD1 1 13 PHE QD . . 4.900 4.547 3.929 4.700 . 0 0 "[ . 1 . 2]" 2
202 1 12 LEU HA 1 12 LEU MD1 . . 3.230 2.981 2.810 3.205 . 0 0 "[ . 1 . 2]" 2
203 1 39 LYS HA 1 40 PRO HD2 . . 3.160 2.225 1.919 2.392 . 0 0 "[ . 1 . 2]" 2
204 1 39 LYS HA 1 40 PRO HD3 . . 3.160 2.428 2.254 3.233 0.073 10 0 "[ . 1 . 2]" 2
205 1 15 CYS HA 1 28 LEU MD1 . . 3.990 3.055 2.419 3.589 . 0 0 "[ . 1 . 2]" 2
206 1 15 CYS HB2 1 28 LEU MD1 . . 3.340 2.231 1.801 2.688 . 0 0 "[ . 1 . 2]" 2
207 1 28 LEU MD1 1 29 THR H . . 4.430 4.100 3.853 4.268 . 0 0 "[ . 1 . 2]" 2
208 1 22 PHE QD 1 28 LEU MD1 . . 3.760 2.705 2.311 3.483 . 0 0 "[ . 1 . 2]" 2
209 1 28 LEU MD1 1 31 HIS HD2 . . 3.580 2.054 1.850 2.293 . 0 0 "[ . 1 . 2]" 2
210 1 15 CYS HB3 1 28 LEU MD1 . . 4.010 3.624 3.082 3.914 . 0 0 "[ . 1 . 2]" 2
211 1 30 VAL H 1 30 VAL MG1 . . 4.060 2.439 2.098 3.760 . 0 0 "[ . 1 . 2]" 2
212 1 13 PHE HA 1 13 PHE QD . . 4.430 2.675 2.292 3.690 . 0 0 "[ . 1 . 2]" 2
213 1 13 PHE QD 1 25 SER HA . . 4.970 3.273 2.405 4.092 . 0 0 "[ . 1 . 2]" 2
214 1 23 THR MG 1 24 GLN QG . . 4.190 2.445 1.930 3.344 . 0 0 "[ . 1 . 2]" 2
215 1 29 THR MG 1 30 VAL HB . . 4.470 4.265 4.091 4.522 0.052 4 0 "[ . 1 . 2]" 2
216 1 21 THR HA 1 21 THR MG . . 3.510 2.464 2.165 3.207 . 0 0 "[ . 1 . 2]" 2
217 1 29 THR HA 1 29 THR MG . . 3.250 2.408 2.304 2.495 . 0 0 "[ . 1 . 2]" 2
218 1 36 THR HA 1 36 THR MG . . 3.120 2.650 2.358 3.202 0.082 13 0 "[ . 1 . 2]" 2
219 1 15 CYS HB3 1 22 PHE QE . . 4.960 4.697 4.242 4.968 0.008 16 0 "[ . 1 . 2]" 2
220 1 22 PHE QE 1 28 LEU HA . . 4.580 3.104 2.523 3.717 . 0 0 "[ . 1 . 2]" 2
221 1 15 CYS HB2 1 22 PHE QE . . 4.390 3.901 3.267 4.378 . 0 0 "[ . 1 . 2]" 2
222 1 22 PHE QE 1 28 LEU MD1 . . 4.050 2.620 2.183 3.094 . 0 0 "[ . 1 . 2]" 2
223 1 30 VAL H 1 30 VAL MG2 . . 4.060 3.620 2.382 3.765 . 0 0 "[ . 1 . 2]" 2
224 1 30 VAL MG2 1 31 HIS H . . 4.420 3.913 3.642 4.093 . 0 0 "[ . 1 . 2]" 2
225 1 30 VAL HA 1 30 VAL MG2 . . 3.330 2.286 2.115 2.425 . 0 0 "[ . 1 . 2]" 2
226 1 8 ALA MB 1 9 GLY QA . . 4.000 3.791 3.462 3.998 . 0 0 "[ . 1 . 2]" 2
227 1 32 GLN QG 1 35 HIS HD2 . . 4.270 3.414 2.189 4.295 0.025 4 0 "[ . 1 . 2]" 2
228 1 35 HIS HD2 1 36 THR MG . . 4.630 4.621 4.562 4.650 0.020 4 0 "[ . 1 . 2]" 2
229 1 15 CYS HB2 1 31 HIS HD2 . . 3.840 3.334 2.786 3.754 . 0 0 "[ . 1 . 2]" 2
230 1 12 LEU MD2 1 21 THR HB . . 4.210 4.104 3.801 4.252 0.042 5 0 "[ . 1 . 2]" 2
231 1 12 LEU HB3 1 13 PHE H . . 4.500 4.260 4.093 4.400 . 0 0 "[ . 1 . 2]" 2
232 1 34 ILE H 1 34 ILE MD . . 3.250 1.905 1.744 2.532 . 0 0 "[ . 1 . 2]" 2
233 1 33 ARG H 1 33 ARG QD . . 4.090 3.358 1.846 4.125 0.035 20 0 "[ . 1 . 2]" 2
234 1 31 HIS HA 1 33 ARG QD . . 5.250 4.652 3.800 5.253 0.003 1 0 "[ . 1 . 2]" 2
235 1 31 HIS HA 1 34 ILE MD . . 4.070 2.020 1.863 3.086 . 0 0 "[ . 1 . 2]" 2
236 1 34 ILE HA 1 34 ILE MD . . 3.220 2.891 1.934 3.240 0.020 3 0 "[ . 1 . 2]" 2
237 1 30 VAL HA 1 33 ARG QD . . 4.050 2.367 1.783 3.226 . 0 0 "[ . 1 . 2]" 2
238 1 34 ILE HB 1 34 ILE MD . . 3.150 2.333 2.136 3.175 0.025 14 0 "[ . 1 . 2]" 2
239 1 36 THR H 1 36 THR HB . . 4.020 3.492 2.931 3.726 . 0 0 "[ . 1 . 2]" 2
240 1 14 LYS QE 1 19 LYS H . . 5.500 4.348 3.661 5.012 . 0 0 "[ . 1 . 2]" 2
241 1 14 LYS QE 1 16 ASN HA . . 4.370 3.355 2.500 4.381 0.011 4 0 "[ . 1 . 2]" 2
242 1 14 LYS QE 1 19 LYS HA . . 4.700 2.872 2.093 3.315 . 0 0 "[ . 1 . 2]" 2
243 1 14 LYS QE 1 14 LYS QG . . 3.130 2.225 2.034 2.507 . 0 0 "[ . 1 . 2]" 2
244 1 34 ILE MG 1 35 HIS HE1 . . 3.860 3.761 3.358 3.866 0.006 20 0 "[ . 1 . 2]" 2
245 1 34 ILE H 1 34 ILE MG . . 3.770 3.718 3.666 3.767 . 0 0 "[ . 1 . 2]" 2
246 1 31 HIS HA 1 34 ILE MG . . 5.160 5.030 4.409 5.184 0.024 4 0 "[ . 1 . 2]" 2
247 1 34 ILE HA 1 34 ILE MG . . 3.620 2.535 2.390 2.590 . 0 0 "[ . 1 . 2]" 2
248 1 29 THR HB 1 30 VAL HB . . 4.530 4.111 3.891 4.655 0.125 4 0 "[ . 1 . 2]" 2
249 1 29 THR HA 1 32 GLN QG . . 4.600 3.858 1.883 4.600 . 0 0 "[ . 1 . 2]" 2
250 1 30 VAL HA 1 30 VAL MG1 . . 3.330 3.123 2.466 3.203 . 0 0 "[ . 1 . 2]" 2
251 1 38 GLU HA 1 38 GLU HG2 . . 4.000 2.902 2.203 4.139 0.139 11 0 "[ . 1 . 2]" 2
252 1 38 GLU HA 1 38 GLU HG3 . . 4.000 3.520 2.941 3.781 . 0 0 "[ . 1 . 2]" 2
253 1 17 GLU H 1 17 GLU HG2 . . 4.070 3.241 2.742 3.403 . 0 0 "[ . 1 . 2]" 2
254 1 17 GLU HG2 1 18 CYS H . . 4.550 4.453 4.127 4.554 0.004 10 0 "[ . 1 . 2]" 2
255 1 17 GLU H 1 17 GLU HG3 . . 4.070 3.098 2.626 3.934 . 0 0 "[ . 1 . 2]" 2
256 1 17 GLU HA 1 17 GLU HG3 . . 3.770 3.634 3.562 3.858 0.088 14 0 "[ . 1 . 2]" 2
257 1 16 ASN QB 1 17 GLU HG2 . . 4.580 3.527 3.024 3.765 . 0 0 "[ . 1 . 2]" 2
258 1 16 ASN QB 1 17 GLU HG3 . . 4.580 4.244 4.036 4.704 0.124 17 0 "[ . 1 . 2]" 2
259 1 14 LYS HB3 1 15 CYS H . . 4.980 4.155 3.598 4.534 . 0 0 "[ . 1 . 2]" 2
260 1 14 LYS H 1 14 LYS HB2 . . 3.970 3.398 2.823 3.888 . 0 0 "[ . 1 . 2]" 2
261 1 14 LYS HB3 1 14 LYS QE . . 4.480 3.538 2.062 4.277 . 0 0 "[ . 1 . 2]" 2
262 1 14 LYS HB2 1 14 LYS QE . . 4.480 3.337 1.982 4.484 0.004 10 0 "[ . 1 . 2]" 2
263 1 28 LEU MD1 1 32 GLN QG . . 4.290 3.811 2.272 4.291 0.001 12 0 "[ . 1 . 2]" 2
264 1 35 HIS H 1 36 THR HA . . 5.410 5.140 4.838 5.241 . 0 0 "[ . 1 . 2]" 2
265 1 13 PHE QE 1 25 SER HB2 . . 4.380 3.484 2.653 4.380 . 0 0 "[ . 1 . 2]" 2
266 1 13 PHE HZ 1 25 SER HB2 . . 4.880 3.853 2.208 4.895 0.015 11 0 "[ . 1 . 2]" 2
267 1 13 PHE QE 1 25 SER HB3 . . 4.380 3.152 2.148 4.370 . 0 0 "[ . 1 . 2]" 2
268 1 13 PHE HZ 1 25 SER HB3 . . 4.880 3.528 2.514 4.800 . 0 0 "[ . 1 . 2]" 2
269 1 20 LYS HB2 1 21 THR H . . 4.480 3.927 3.796 4.046 . 0 0 "[ . 1 . 2]" 2
270 1 20 LYS HB3 1 21 THR H . . 4.480 3.635 3.280 3.901 . 0 0 "[ . 1 . 2]" 2
271 1 13 PHE QE 1 25 SER HA . . 4.490 3.303 2.124 4.284 . 0 0 "[ . 1 . 2]" 2
272 1 25 SER HA 1 28 LEU MD2 . . 4.100 3.481 2.980 3.950 . 0 0 "[ . 1 . 2]" 2
273 1 26 SER HA 1 29 THR H . . 4.660 3.614 3.407 4.059 . 0 0 "[ . 1 . 2]" 2
274 1 27 SER HA 1 30 VAL H . . 4.270 4.014 3.800 4.270 . 0 0 "[ . 1 . 2]" 2
275 1 26 SER HA 1 30 VAL H . . 4.670 4.056 3.656 4.331 . 0 0 "[ . 1 . 2]" 2
276 1 10 LYS HB2 1 11 LYS H . . 4.690 3.855 3.418 4.573 . 0 0 "[ . 1 . 2]" 2
277 1 9 GLY QA 1 10 LYS HB3 . . 4.610 4.365 3.993 4.600 . 0 0 "[ . 1 . 2]" 2
278 1 10 LYS HB3 1 11 LYS H . . 4.710 4.096 3.814 4.619 . 0 0 "[ . 1 . 2]" 2
279 1 11 LYS QB 1 21 THR HB . . 5.470 5.265 4.838 5.487 0.017 17 0 "[ . 1 . 2]" 2
280 1 15 CYS HA 1 28 LEU MD2 . . 5.000 3.749 3.171 4.414 . 0 0 "[ . 1 . 2]" 2
281 1 27 SER HA 1 30 VAL HB . . 4.570 4.191 2.830 4.566 . 0 0 "[ . 1 . 2]" 2
282 1 32 GLN HA 1 35 HIS HD2 . . 3.910 2.239 1.986 3.090 . 0 0 "[ . 1 . 2]" 2
283 1 30 VAL HB 1 33 ARG QD . . 4.650 4.166 3.481 4.653 0.003 14 0 "[ . 1 . 2]" 2
284 1 32 GLN HA 1 32 GLN QG . . 3.610 2.520 2.163 2.774 . 0 0 "[ . 1 . 2]" 2
285 1 18 CYS HB2 1 19 LYS H . . 5.000 4.397 4.079 4.481 . 0 0 "[ . 1 . 2]" 2
286 1 33 ARG HA 1 33 ARG HG2 . . 3.970 3.254 2.691 3.804 . 0 0 "[ . 1 . 2]" 2
287 1 33 ARG HA 1 33 ARG HG3 . . 3.970 3.248 2.589 4.191 0.221 13 0 "[ . 1 . 2]" 2
288 1 38 GLU H 1 38 GLU HB2 . . 3.830 2.776 2.284 3.667 . 0 0 "[ . 1 . 2]" 2
289 1 17 GLU HA 1 17 GLU HG2 . . 3.770 2.637 2.571 2.884 . 0 0 "[ . 1 . 2]" 2
290 1 33 ARG HA 1 36 THR MG . . 3.910 2.451 1.790 3.638 . 0 0 "[ . 1 . 2]" 2
291 1 28 LEU HA 1 31 HIS H . . 4.430 3.512 3.358 3.693 . 0 0 "[ . 1 . 2]" 2
292 1 18 CYS HB3 1 35 HIS HE1 . . 4.350 2.564 1.999 3.233 . 0 0 "[ . 1 . 2]" 2
293 1 28 LEU HA 1 28 LEU MD1 . . 3.570 2.233 2.041 2.350 . 0 0 "[ . 1 . 2]" 2
294 1 33 ARG HB3 1 34 ILE H . . 4.630 3.916 3.544 4.139 . 0 0 "[ . 1 . 2]" 2
295 1 33 ARG H 1 33 ARG HB3 . . 4.090 3.052 2.248 3.603 . 0 0 "[ . 1 . 2]" 2
296 1 33 ARG H 1 33 ARG HB2 . . 4.090 3.035 2.497 3.645 . 0 0 "[ . 1 . 2]" 2
297 1 15 CYS HB3 1 31 HIS HD2 . . 4.730 4.481 3.922 4.783 0.053 17 0 "[ . 1 . 2]" 2
298 1 19 LYS H 1 19 LYS HD2 . . 4.200 3.433 2.018 4.200 0.000 12 0 "[ . 1 . 2]" 2
299 1 20 LYS HD3 1 21 THR H . . 4.940 4.155 2.529 4.675 . 0 0 "[ . 1 . 2]" 2
300 1 10 LYS HA 1 10 LYS QD . . 4.520 4.324 3.703 4.526 0.006 8 0 "[ . 1 . 2]" 2
301 1 20 LYS HD2 1 21 THR H . . 4.940 4.324 2.896 4.922 . 0 0 "[ . 1 . 2]" 2
302 1 10 LYS HA 1 10 LYS HG2 . . 4.070 3.783 3.616 4.211 0.141 2 0 "[ . 1 . 2]" 2
303 1 10 LYS HA 1 12 LEU MD1 . . 4.930 4.311 3.743 4.738 . 0 0 "[ . 1 . 2]" 2
304 1 11 LYS HA 1 11 LYS HG2 . . 4.070 3.289 2.192 3.774 . 0 0 "[ . 1 . 2]" 2
305 1 11 LYS HA 1 12 LEU MD1 . . 4.530 2.229 2.039 2.375 . 0 0 "[ . 1 . 2]" 2
306 1 32 GLN H 1 32 GLN HB3 . . 4.100 3.008 2.729 3.589 . 0 0 "[ . 1 . 2]" 2
307 1 28 LEU MD1 1 32 GLN HB2 . . 4.900 3.499 2.836 4.913 0.013 20 0 "[ . 1 . 2]" 2
308 1 28 LEU MD1 1 32 GLN HB3 . . 4.900 4.680 4.242 4.851 . 0 0 "[ . 1 . 2]" 2
309 1 12 LEU H 1 12 LEU HG . . 4.060 3.760 3.627 3.864 . 0 0 "[ . 1 . 2]" 2
310 1 34 ILE H 1 34 ILE HG13 . . 4.380 3.452 3.100 3.860 . 0 0 "[ . 1 . 2]" 2
311 1 14 LYS H 1 28 LEU MD2 . . 4.010 3.356 2.782 3.904 . 0 0 "[ . 1 . 2]" 2
312 1 20 LYS H 1 20 LYS HG3 . . 4.970 4.611 4.461 4.902 . 0 0 "[ . 1 . 2]" 2
313 1 20 LYS H 1 20 LYS HG2 . . 4.970 4.591 4.391 4.833 . 0 0 "[ . 1 . 2]" 2
314 1 13 PHE QD 1 28 LEU MD2 . . 3.820 2.943 1.840 3.724 . 0 0 "[ . 1 . 2]" 2
315 1 28 LEU MD2 1 32 GLN HE22 . . 4.250 3.492 2.937 4.180 . 0 0 "[ . 1 . 2]" 2
316 1 13 PHE HA 1 28 LEU MD2 . . 4.030 3.635 2.885 4.039 0.009 19 0 "[ . 1 . 2]" 2
317 1 20 LYS HA 1 20 LYS HG2 . . 4.160 3.325 2.872 3.764 . 0 0 "[ . 1 . 2]" 2
318 1 20 LYS HA 1 20 LYS HG3 . . 4.160 2.558 2.340 2.955 . 0 0 "[ . 1 . 2]" 2
319 1 28 LEU HA 1 28 LEU MD2 . . 4.120 3.919 3.844 3.967 . 0 0 "[ . 1 . 2]" 2
320 1 13 PHE HB2 1 28 LEU MD2 . . 3.640 2.562 1.886 3.284 . 0 0 "[ . 1 . 2]" 2
321 1 13 PHE HB3 1 28 LEU MD2 . . 3.640 2.096 1.773 3.137 . 0 0 "[ . 1 . 2]" 2
322 1 12 LEU MD2 1 13 PHE H . . 4.140 1.816 1.686 1.966 . 0 0 "[ . 1 . 2]" 2
323 1 12 LEU H 1 12 LEU MD2 . . 3.870 1.823 1.766 1.852 . 0 0 "[ . 1 . 2]" 2
324 1 12 LEU HA 1 12 LEU MD2 . . 3.760 3.510 3.405 3.610 . 0 0 "[ . 1 . 2]" 2
325 1 12 LEU MD2 1 21 THR MG . . 4.140 4.015 3.276 4.228 0.088 17 0 "[ . 1 . 2]" 2
326 1 10 LYS HA 1 10 LYS HG3 . . 4.070 3.746 3.601 3.926 . 0 0 "[ . 1 . 2]" 2
327 1 11 LYS HA 1 11 LYS HG3 . . 4.070 2.879 2.148 3.547 . 0 0 "[ . 1 . 2]" 2
328 1 14 LYS H 1 14 LYS QG . . 4.310 3.582 2.316 4.240 . 0 0 "[ . 1 . 2]" 2
329 1 13 PHE HA 1 14 LYS QG . . 5.500 5.177 3.793 5.664 0.164 7 0 "[ . 1 . 2]" 2
330 1 14 LYS QG 1 16 ASN HA . . 5.500 4.462 3.564 5.523 0.023 15 0 "[ . 1 . 2]" 2
331 1 18 CYS HB2 1 35 HIS HE1 . . 4.350 3.923 3.394 4.357 0.007 18 0 "[ . 1 . 2]" 2
332 1 22 PHE QD 1 27 SER QB . . 4.040 2.518 1.951 3.204 . 0 0 "[ . 1 . 2]" 2
333 1 9 GLY QA 1 10 LYS QG . . 4.370 3.789 3.386 4.311 . 0 0 "[ . 1 . 2]" 2
334 1 10 LYS H 1 10 LYS QG . . 3.680 2.357 1.884 3.662 . 0 0 "[ . 1 . 2]" 2
335 1 10 LYS H 1 10 LYS QE . . 5.340 4.376 2.631 5.388 0.048 8 0 "[ . 1 . 2]" 2
336 1 10 LYS HB2 1 10 LYS QE . . 4.440 3.168 2.014 4.191 . 0 0 "[ . 1 . 2]" 2
337 1 10 LYS HB3 1 10 LYS QE . . 4.390 3.314 1.992 4.157 . 0 0 "[ . 1 . 2]" 2
338 1 10 LYS QE 1 10 LYS QG . . 3.110 2.266 2.011 2.627 . 0 0 "[ . 1 . 2]" 2
339 1 10 LYS QG 1 11 LYS HA . . 3.840 3.510 2.966 3.852 0.012 8 0 "[ . 1 . 2]" 2
340 1 10 LYS QE 1 11 LYS H . . 5.340 4.467 3.697 5.378 0.038 20 0 "[ . 1 . 2]" 2
341 1 11 LYS H 1 11 LYS QG . . 4.560 4.045 3.876 4.188 . 0 0 "[ . 1 . 2]" 2
342 1 11 LYS H 1 11 LYS QE . . 5.340 4.246 3.481 5.367 0.027 3 0 "[ . 1 . 2]" 2
343 1 11 LYS HA 1 11 LYS QG . . 3.410 2.498 2.113 2.810 . 0 0 "[ . 1 . 2]" 2
344 1 11 LYS HA 1 11 LYS QD . . 3.710 2.528 1.922 3.659 . 0 0 "[ . 1 . 2]" 2
345 1 11 LYS HA 1 11 LYS QE . . 4.420 3.362 1.904 4.487 0.067 9 0 "[ . 1 . 2]" 2
346 1 11 LYS QB 1 11 LYS QE . . 4.360 2.330 1.901 3.804 . 0 0 "[ . 1 . 2]" 2
347 1 11 LYS QE 1 11 LYS QG . . 3.340 2.363 2.040 2.879 . 0 0 "[ . 1 . 2]" 2
348 1 11 LYS QG 1 12 LEU H . . 3.600 2.242 1.877 3.068 . 0 0 "[ . 1 . 2]" 2
349 1 11 LYS QG 1 12 LEU MD2 . . 3.680 3.142 2.637 3.751 0.071 15 0 "[ . 1 . 2]" 2
350 1 11 LYS QG 1 13 PHE H . . 4.500 2.619 1.925 3.963 . 0 0 "[ . 1 . 2]" 2
351 1 11 LYS QD 1 12 LEU H . . 4.210 2.934 1.921 4.219 0.009 9 0 "[ . 1 . 2]" 2
352 1 11 LYS QD 1 21 THR HB . . 4.220 2.776 1.988 4.039 . 0 0 "[ . 1 . 2]" 2
353 1 11 LYS QD 1 21 THR MG . . 3.180 2.029 1.857 2.655 . 0 0 "[ . 1 . 2]" 2
354 1 11 LYS QE 1 12 LEU H . . 4.730 3.974 1.973 4.573 . 0 0 "[ . 1 . 2]" 2
355 1 11 LYS QE 1 12 LEU MD2 . . 4.730 4.241 1.955 4.860 0.130 15 0 "[ . 1 . 2]" 2
356 1 11 LYS QE 1 21 THR MG . . 3.730 2.939 1.843 3.742 0.012 20 0 "[ . 1 . 2]" 2
357 1 12 LEU H 1 12 LEU QB . . 3.520 3.164 3.101 3.212 . 0 0 "[ . 1 . 2]" 2
358 1 12 LEU QB 1 12 LEU MD1 . . 3.000 2.215 2.146 2.285 . 0 0 "[ . 1 . 2]" 2
359 1 12 LEU QB 1 12 LEU MD2 . . 3.010 2.256 2.159 2.354 . 0 0 "[ . 1 . 2]" 2
360 1 12 LEU QB 1 13 PHE H . . 3.640 3.294 2.946 3.512 . 0 0 "[ . 1 . 2]" 2
361 1 13 PHE HA 1 14 LYS QB . . 4.580 4.029 3.904 4.384 . 0 0 "[ . 1 . 2]" 2
362 1 13 PHE QB 1 14 LYS H . . 3.600 3.007 2.776 3.491 . 0 0 "[ . 1 . 2]" 2
363 1 14 LYS H 1 14 LYS QB . . 3.260 2.679 2.529 3.098 . 0 0 "[ . 1 . 2]" 2
364 1 14 LYS QB 1 15 CYS H . . 4.350 3.479 2.772 3.924 . 0 0 "[ . 1 . 2]" 2
365 1 14 LYS QE 1 19 LYS QB . . 4.100 3.761 3.041 4.111 0.011 7 0 "[ . 1 . 2]" 2
366 1 15 CYS HB3 1 17 GLU QG . . 4.650 4.626 4.550 4.689 0.039 17 0 "[ . 1 . 2]" 2
367 1 16 ASN HA 1 16 ASN QD . . 4.490 3.440 2.175 4.114 . 0 0 "[ . 1 . 2]" 2
368 1 16 ASN HA 1 19 LYS QG . . 5.340 4.513 3.685 5.085 . 0 0 "[ . 1 . 2]" 2
369 1 16 ASN HA 1 19 LYS QD . . 4.740 3.487 2.890 4.390 . 0 0 "[ . 1 . 2]" 2
370 1 16 ASN QB 1 17 GLU QG . . 3.960 3.350 2.982 3.536 . 0 0 "[ . 1 . 2]" 2
371 1 17 GLU QB 1 18 CYS H . . 3.310 2.473 2.343 2.572 . 0 0 "[ . 1 . 2]" 2
372 1 17 GLU QB 1 19 LYS H . . 5.000 4.264 4.027 4.457 . 0 0 "[ . 1 . 2]" 2
373 1 17 GLU QG 1 18 CYS H . . 3.830 3.698 3.595 3.837 0.007 18 0 "[ . 1 . 2]" 2
374 1 18 CYS H 1 18 CYS QB . . 3.530 3.020 2.920 3.081 . 0 0 "[ . 1 . 2]" 2
375 1 18 CYS H 1 19 LYS QD . . 4.500 3.964 3.369 4.356 . 0 0 "[ . 1 . 2]" 2
376 1 18 CYS QB 1 35 HIS HE1 . . 3.740 2.529 1.986 3.150 . 0 0 "[ . 1 . 2]" 2
377 1 19 LYS H 1 19 LYS QG . . 3.770 3.010 2.519 3.685 . 0 0 "[ . 1 . 2]" 2
378 1 19 LYS H 1 19 LYS QD . . 3.660 2.366 2.005 2.843 . 0 0 "[ . 1 . 2]" 2
379 1 19 LYS H 1 19 LYS QE . . 4.390 4.179 3.265 4.407 0.017 13 0 "[ . 1 . 2]" 2
380 1 19 LYS HA 1 19 LYS QG . . 3.730 2.697 2.228 3.122 . 0 0 "[ . 1 . 2]" 2
381 1 19 LYS HA 1 19 LYS QD . . 3.790 2.635 2.068 3.225 . 0 0 "[ . 1 . 2]" 2
382 1 19 LYS HA 1 19 LYS QE . . 4.770 4.246 2.905 4.710 . 0 0 "[ . 1 . 2]" 2
383 1 19 LYS QB 1 19 LYS QD . . 3.330 2.347 2.196 2.718 . 0 0 "[ . 1 . 2]" 2
384 1 20 LYS H 1 20 LYS QB . . 3.210 2.494 2.384 2.726 . 0 0 "[ . 1 . 2]" 2
385 1 20 LYS H 1 20 LYS QG . . 4.190 4.091 4.006 4.163 . 0 0 "[ . 1 . 2]" 2
386 1 20 LYS HA 1 20 LYS QD . . 4.600 3.636 1.982 4.205 . 0 0 "[ . 1 . 2]" 2
387 1 20 LYS QB 1 20 LYS QD . . 3.160 2.195 2.032 2.583 . 0 0 "[ . 1 . 2]" 2
388 1 20 LYS QB 1 20 LYS QE . . 3.300 2.758 2.004 3.346 0.046 16 0 "[ . 1 . 2]" 2
389 1 20 LYS QB 1 21 THR H . . 3.910 3.347 3.095 3.472 . 0 0 "[ . 1 . 2]" 2
390 1 20 LYS QB 1 22 PHE QE . . 4.370 3.078 2.597 4.087 . 0 0 "[ . 1 . 2]" 2
391 1 20 LYS QE 1 20 LYS QG . . 3.280 2.211 2.069 2.517 . 0 0 "[ . 1 . 2]" 2
392 1 20 LYS QG 1 22 PHE H . . 5.080 4.992 4.733 5.097 0.017 3 0 "[ . 1 . 2]" 2
393 1 20 LYS QG 1 22 PHE QE . . 4.290 2.904 2.153 4.017 . 0 0 "[ . 1 . 2]" 2
394 1 20 LYS QG 1 22 PHE HZ . . 4.920 3.342 2.186 4.857 . 0 0 "[ . 1 . 2]" 2
395 1 20 LYS QD 1 21 THR H . . 4.170 3.741 2.379 4.165 . 0 0 "[ . 1 . 2]" 2
396 1 20 LYS QD 1 22 PHE QE . . 4.640 3.478 2.194 4.575 . 0 0 "[ . 1 . 2]" 2
397 1 20 LYS QD 1 22 PHE HZ . . 4.490 3.278 2.014 4.499 0.009 1 0 "[ . 1 . 2]" 2
398 1 20 LYS QE 1 31 HIS HE1 . . 5.340 4.714 3.442 5.345 0.005 4 0 "[ . 1 . 2]" 2
399 1 22 PHE QB 1 24 GLN H . . 3.700 2.609 2.345 2.752 . 0 0 "[ . 1 . 2]" 2
400 1 22 PHE QB 1 27 SER H . . 4.570 3.937 3.668 4.214 . 0 0 "[ . 1 . 2]" 2
401 1 22 PHE QB 1 28 LEU H . . 4.350 2.897 2.613 3.408 . 0 0 "[ . 1 . 2]" 2
402 1 23 THR MG 1 24 GLN QE . . 4.310 3.107 1.899 4.108 . 0 0 "[ . 1 . 2]" 2
403 1 24 GLN H 1 24 GLN QB . . 3.520 2.601 2.438 2.781 . 0 0 "[ . 1 . 2]" 2
404 1 24 GLN QB 1 27 SER H . . 3.400 2.746 2.182 3.067 . 0 0 "[ . 1 . 2]" 2
405 1 27 SER H 1 30 VAL QG . . 4.870 4.282 4.000 4.892 0.022 4 0 "[ . 1 . 2]" 2
406 1 27 SER HA 1 30 VAL QG . . 3.370 2.324 1.963 3.409 0.039 4 0 "[ . 1 . 2]" 2
407 1 28 LEU H 1 28 LEU QB . . 3.420 2.177 2.131 2.230 . 0 0 "[ . 1 . 2]" 2
408 1 28 LEU H 1 30 VAL QG . . 5.310 4.276 3.946 5.333 0.023 6 0 "[ . 1 . 2]" 2
409 1 28 LEU QB 1 29 THR H . . 3.690 2.492 2.309 2.646 . 0 0 "[ . 1 . 2]" 2
410 1 28 LEU MD1 1 32 GLN QB . . 4.180 3.332 2.803 4.199 0.019 8 0 "[ . 1 . 2]" 2
411 1 29 THR H 1 30 VAL QG . . 5.280 4.107 3.871 4.674 . 0 0 "[ . 1 . 2]" 2
412 1 29 THR HA 1 32 GLN QB . . 4.220 2.807 2.374 3.778 . 0 0 "[ . 1 . 2]" 2
413 1 29 THR HB 1 30 VAL QG . . 4.290 3.902 3.488 4.166 . 0 0 "[ . 1 . 2]" 2
414 1 30 VAL H 1 30 VAL QG . . 2.910 2.288 2.087 2.469 . 0 0 "[ . 1 . 2]" 2
415 1 30 VAL H 1 31 HIS QB . . 5.340 4.430 4.222 4.541 . 0 0 "[ . 1 . 2]" 2
416 1 30 VAL HA 1 33 ARG QG . . 5.070 3.321 2.777 4.084 . 0 0 "[ . 1 . 2]" 2
417 1 30 VAL QG 1 31 HIS H . . 3.280 2.336 1.923 3.189 . 0 0 "[ . 1 . 2]" 2
418 1 30 VAL QG 1 31 HIS HA . . 4.070 3.145 2.986 3.376 . 0 0 "[ . 1 . 2]" 2
419 1 30 VAL QG 1 33 ARG QD . . 3.840 2.337 1.906 3.032 . 0 0 "[ . 1 . 2]" 2
420 1 31 HIS H 1 31 HIS QB . . 3.090 2.154 2.107 2.190 . 0 0 "[ . 1 . 2]" 2
421 1 31 HIS H 1 32 GLN QB . . 4.930 4.189 3.902 4.801 . 0 0 "[ . 1 . 2]" 2
422 1 31 HIS HA 1 34 ILE QG . . 4.500 3.789 1.984 4.138 . 0 0 "[ . 1 . 2]" 2
423 1 31 HIS QB 1 32 GLN H . . 3.680 3.045 2.782 3.302 . 0 0 "[ . 1 . 2]" 2
424 1 32 GLN H 1 32 GLN QB . . 3.310 2.256 2.129 2.813 . 0 0 "[ . 1 . 2]" 2
425 1 32 GLN H 1 33 ARG QG . . 4.290 4.136 3.907 4.356 0.066 7 0 "[ . 1 . 2]" 2
426 1 32 GLN QB 1 32 GLN HE22 . . 4.220 3.436 3.216 3.964 . 0 0 "[ . 1 . 2]" 2
427 1 32 GLN QB 1 33 ARG H . . 3.670 2.729 2.441 3.163 . 0 0 "[ . 1 . 2]" 2
428 1 32 GLN QB 1 35 HIS HD2 . . 5.190 4.065 3.142 4.889 . 0 0 "[ . 1 . 2]" 2
429 1 33 ARG H 1 33 ARG QB . . 3.590 2.457 2.224 2.722 . 0 0 "[ . 1 . 2]" 2
430 1 33 ARG H 1 33 ARG QG . . 2.960 2.240 1.937 2.716 . 0 0 "[ . 1 . 2]" 2
431 1 33 ARG HA 1 33 ARG QG . . 3.490 2.880 2.454 3.400 . 0 0 "[ . 1 . 2]" 2
432 1 33 ARG QB 1 33 ARG QD . . 3.330 2.200 2.053 2.615 . 0 0 "[ . 1 . 2]" 2
433 1 33 ARG QB 1 34 ILE H . . 4.070 3.140 2.508 3.754 . 0 0 "[ . 1 . 2]" 2
434 1 33 ARG QB 1 36 THR H . . 5.340 4.679 4.230 5.101 . 0 0 "[ . 1 . 2]" 2
435 1 33 ARG QB 1 36 THR MG . . 5.340 4.022 2.873 5.183 . 0 0 "[ . 1 . 2]" 2
436 1 33 ARG QG 1 34 ILE H . . 4.530 3.343 2.092 4.229 . 0 0 "[ . 1 . 2]" 2
437 1 33 ARG QG 1 36 THR MG . . 5.340 4.307 3.222 5.216 . 0 0 "[ . 1 . 2]" 2
438 1 34 ILE H 1 34 ILE QG . . 3.630 3.174 2.351 3.423 . 0 0 "[ . 1 . 2]" 2
439 1 34 ILE QG 1 34 ILE MG . . 2.930 2.084 2.029 2.116 . 0 0 "[ . 1 . 2]" 2
440 1 34 ILE QG 1 35 HIS H . . 5.170 4.427 3.992 4.584 . 0 0 "[ . 1 . 2]" 2
441 1 35 HIS H 1 35 HIS QB . . 3.030 2.570 2.498 2.660 . 0 0 "[ . 1 . 2]" 2
442 1 35 HIS QB 1 36 THR H . . 3.540 2.783 2.603 3.053 . 0 0 "[ . 1 . 2]" 2
443 1 35 HIS QB 1 36 THR MG . . 4.150 3.142 2.732 3.822 . 0 0 "[ . 1 . 2]" 2
444 1 36 THR H 1 37 GLY QA . . 5.250 4.391 4.109 4.553 . 0 0 "[ . 1 . 2]" 2
445 1 36 THR H 1 38 GLU QB . . 5.340 5.100 4.454 5.341 0.001 10 0 "[ . 1 . 2]" 2
446 1 36 THR H 1 38 GLU QG . . 5.340 5.064 3.715 5.341 0.001 20 0 "[ . 1 . 2]" 2
447 1 37 GLY H 1 38 GLU QB . . 4.740 4.098 3.362 4.738 . 0 0 "[ . 1 . 2]" 2
448 1 38 GLU H 1 38 GLU QB . . 2.970 2.452 2.258 2.774 . 0 0 "[ . 1 . 2]" 2
449 1 38 GLU H 1 38 GLU QG . . 3.510 2.768 1.943 3.516 0.006 4 0 "[ . 1 . 2]" 2
450 1 38 GLU QB 1 39 LYS H . . 3.370 2.677 2.057 3.359 . 0 0 "[ . 1 . 2]" 2
451 1 39 LYS H 1 39 LYS QB . . 3.080 2.603 2.133 3.082 0.002 9 0 "[ . 1 . 2]" 2
452 1 39 LYS H 1 40 PRO QD . . 4.750 3.988 2.347 4.377 . 0 0 "[ . 1 . 2]" 2
453 1 39 LYS QB 1 40 PRO QD . . 3.510 2.656 1.969 3.790 0.280 14 0 "[ . 1 . 2]" 2
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