NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
509275 |
2ytk   |
10310 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ytk
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 26
_Distance_constraint_stats_list.Viol_total 0.493
_Distance_constraint_stats_list.Viol_max 0.003
_Distance_constraint_stats_list.Viol_rms 0.0004
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0009
_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 0.012 0.003 18 0 "[ . 1 . 2]"
1 18 CYS 0.007 0.002 18 0 "[ . 1 . 2]"
1 31 HIS 0.010 0.003 18 0 "[ . 1 . 2]"
1 35 HIS 0.014 0.003 18 0 "[ . 1 . 2]"
2 1 ZN 0.006 0.001 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 CYS SG 2 1 ZN ZN . 2.190 2.390 2.343 2.195 2.391 0.001 18 0 "[ . 1 . 2]" 1
2 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.240 2.189 2.378 0.001 18 0 "[ . 1 . 2]" 1
3 1 31 HIS NE2 2 1 ZN ZN . . 2.100 2.011 1.899 2.100 0.001 3 0 "[ . 1 . 2]" 1
4 1 35 HIS NE2 2 1 ZN ZN . . 2.100 1.962 1.901 2.096 . 0 0 "[ . 1 . 2]" 1
5 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.349 3.249 3.482 0.001 18 0 "[ . 1 . 2]" 1
6 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.406 3.276 3.509 . 0 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.845 3.673 3.962 0.002 18 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.606 3.324 3.720 . 0 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.629 3.321 3.723 0.003 18 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.419 3.318 3.674 0.002 15 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.407 3.319 3.594 0.001 18 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.017 2.997 3.138 0.003 18 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 449
_Distance_constraint_stats_list.Viol_count 105
_Distance_constraint_stats_list.Viol_total 21.789
_Distance_constraint_stats_list.Viol_max 0.105
_Distance_constraint_stats_list.Viol_rms 0.0022
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0104
_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 0.011 0.008 11 0 "[ . 1 . 2]"
1 11 LYS 0.242 0.105 17 0 "[ . 1 . 2]"
1 12 PRO 0.407 0.105 17 0 "[ . 1 . 2]"
1 13 TYR 0.331 0.063 18 0 "[ . 1 . 2]"
1 14 LYS 0.099 0.038 18 0 "[ . 1 . 2]"
1 15 CYS 0.014 0.011 18 0 "[ . 1 . 2]"
1 16 ASN 0.001 0.001 15 0 "[ . 1 . 2]"
1 17 GLU 0.041 0.023 15 0 "[ . 1 . 2]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.007 0.005 20 0 "[ . 1 . 2]"
1 20 LYS 0.095 0.051 14 0 "[ . 1 . 2]"
1 21 VAL 0.112 0.051 14 0 "[ . 1 . 2]"
1 22 PHE 0.049 0.017 15 0 "[ . 1 . 2]"
1 23 THR 0.049 0.024 4 0 "[ . 1 . 2]"
1 24 GLN 0.133 0.071 19 0 "[ . 1 . 2]"
1 25 ASN 0.041 0.016 15 0 "[ . 1 . 2]"
1 26 SER 0.006 0.005 5 0 "[ . 1 . 2]"
1 27 HIS 0.015 0.007 18 0 "[ . 1 . 2]"
1 28 LEU 0.013 0.008 15 0 "[ . 1 . 2]"
1 29 THR 0.096 0.062 7 0 "[ . 1 . 2]"
1 30 ASN 0.000 0.000 11 0 "[ . 1 . 2]"
1 31 HIS 0.053 0.024 18 0 "[ . 1 . 2]"
1 32 TRP 0.020 0.011 18 0 "[ . 1 . 2]"
1 33 ARG 0.040 0.020 2 0 "[ . 1 . 2]"
1 34 ILE 0.039 0.024 18 0 "[ . 1 . 2]"
1 35 HIS 0.012 0.011 18 0 "[ . 1 . 2]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 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 34 ILE HB 1 35 HIS H . . 4.320 4.014 3.851 4.228 . 0 0 "[ . 1 . 2]" 2
2 1 35 HIS H 1 35 HIS HD2 . . 4.570 3.962 3.416 4.367 . 0 0 "[ . 1 . 2]" 2
3 1 32 TRP HA 1 35 HIS H . . 4.250 3.284 3.085 3.451 . 0 0 "[ . 1 . 2]" 2
4 1 33 ARG HA 1 35 HIS H . . 4.870 3.963 3.604 4.250 . 0 0 "[ . 1 . 2]" 2
5 1 35 HIS H 1 35 HIS HB2 . . 3.980 2.333 2.239 2.410 . 0 0 "[ . 1 . 2]" 2
6 1 35 HIS H 1 35 HIS HB3 . . 3.980 3.582 3.529 3.625 . 0 0 "[ . 1 . 2]" 2
7 1 34 ILE HG13 1 35 HIS H . . 4.820 2.174 1.902 2.663 . 0 0 "[ . 1 . 2]" 2
8 1 31 HIS HB2 1 32 TRP H . . 4.290 3.891 3.732 4.152 . 0 0 "[ . 1 . 2]" 2
9 1 32 TRP H 1 32 TRP HB3 . . 3.590 3.572 3.511 3.592 0.002 11 0 "[ . 1 . 2]" 2
10 1 31 HIS HB3 1 32 TRP H . . 4.290 2.506 2.263 2.916 . 0 0 "[ . 1 . 2]" 2
11 1 32 TRP H 1 33 ARG HB2 . . 5.500 5.014 4.833 5.199 . 0 0 "[ . 1 . 2]" 2
12 1 28 LEU MD1 1 32 TRP H . . 4.930 3.832 3.456 4.101 . 0 0 "[ . 1 . 2]" 2
13 1 20 LYS HB2 1 21 VAL H . . 4.460 4.015 3.495 4.348 . 0 0 "[ . 1 . 2]" 2
14 1 20 LYS HG3 1 21 VAL H . . 4.240 2.664 1.895 4.270 0.030 14 0 "[ . 1 . 2]" 2
15 1 34 ILE H 1 35 HIS H . . 3.510 2.709 2.585 2.836 . 0 0 "[ . 1 . 2]" 2
16 1 34 ILE H 1 34 ILE HB . . 3.680 3.607 3.573 3.619 . 0 0 "[ . 1 . 2]" 2
17 1 34 ILE H 1 34 ILE HG13 . . 3.940 2.740 2.200 3.083 . 0 0 "[ . 1 . 2]" 2
18 1 33 ARG HB2 1 34 ILE H . . 3.940 2.475 2.335 2.783 . 0 0 "[ . 1 . 2]" 2
19 1 34 ILE H 1 34 ILE HG12 . . 3.940 2.882 2.385 3.525 . 0 0 "[ . 1 . 2]" 2
20 1 13 TYR HA 1 14 LYS H . . 2.990 2.177 2.137 2.284 . 0 0 "[ . 1 . 2]" 2
21 1 13 TYR HB3 1 14 LYS H . . 4.040 3.734 3.470 4.078 0.038 18 0 "[ . 1 . 2]" 2
22 1 14 LYS H 1 14 LYS HB3 . . 3.650 2.765 2.581 2.961 . 0 0 "[ . 1 . 2]" 2
23 1 14 LYS H 1 14 LYS HB2 . . 3.650 3.265 2.827 3.493 . 0 0 "[ . 1 . 2]" 2
24 1 14 LYS H 1 28 LEU MD2 . . 3.940 2.934 2.418 3.622 . 0 0 "[ . 1 . 2]" 2
25 1 23 THR HB 1 24 GLN H . . 3.940 3.172 2.164 3.964 0.024 4 0 "[ . 1 . 2]" 2
26 1 22 PHE HB3 1 24 GLN H . . 3.820 3.337 2.793 3.811 . 0 0 "[ . 1 . 2]" 2
27 1 24 GLN H 1 27 HIS HB3 . . 4.600 4.467 4.294 4.604 0.004 20 0 "[ . 1 . 2]" 2
28 1 22 PHE HB2 1 24 GLN H . . 4.280 3.931 3.455 4.228 . 0 0 "[ . 1 . 2]" 2
29 1 24 GLN H 1 24 GLN HG3 . . 4.450 3.592 2.611 4.318 . 0 0 "[ . 1 . 2]" 2
30 1 24 GLN H 1 24 GLN HG2 . . 4.450 3.444 2.246 4.521 0.071 19 0 "[ . 1 . 2]" 2
31 1 23 THR H 1 24 GLN H . . 4.490 2.414 2.110 2.611 . 0 0 "[ . 1 . 2]" 2
32 1 32 TRP H 1 33 ARG H . . 3.720 2.909 2.725 3.004 . 0 0 "[ . 1 . 2]" 2
33 1 31 HIS H 1 33 ARG H . . 4.900 4.167 3.896 4.328 . 0 0 "[ . 1 . 2]" 2
34 1 33 ARG H 1 36 THR H . . 5.500 4.702 4.524 5.037 . 0 0 "[ . 1 . 2]" 2
35 1 33 ARG H 1 33 ARG HB2 . . 3.210 2.445 2.320 2.602 . 0 0 "[ . 1 . 2]" 2
36 1 33 ARG H 1 33 ARG HG3 . . 3.840 2.529 2.043 3.315 . 0 0 "[ . 1 . 2]" 2
37 1 33 ARG H 1 33 ARG HG2 . . 3.840 3.263 2.115 3.735 . 0 0 "[ . 1 . 2]" 2
38 1 33 ARG H 1 34 ILE H . . 3.620 2.956 2.738 3.083 . 0 0 "[ . 1 . 2]" 2
39 1 30 ASN HA 1 33 ARG H . . 4.640 3.749 3.444 3.937 . 0 0 "[ . 1 . 2]" 2
40 1 38 GLU HA 1 39 LYS H . . 3.280 2.536 2.139 3.272 . 0 0 "[ . 1 . 2]" 2
41 1 39 LYS H 1 39 LYS QG . . 4.420 3.625 2.386 4.258 . 0 0 "[ . 1 . 2]" 2
42 1 18 CYS H 1 19 GLY HA2 . . 4.460 4.187 4.013 4.356 . 0 0 "[ . 1 . 2]" 2
43 1 17 GLU HG2 1 18 CYS H . . 5.330 4.658 3.965 5.126 . 0 0 "[ . 1 . 2]" 2
44 1 17 GLU HG3 1 18 CYS H . . 5.330 4.547 3.219 5.247 . 0 0 "[ . 1 . 2]" 2
45 1 17 GLU HB3 1 18 CYS H . . 3.720 2.749 2.048 3.505 . 0 0 "[ . 1 . 2]" 2
46 1 17 GLU HB2 1 18 CYS H . . 3.720 3.218 2.320 3.715 . 0 0 "[ . 1 . 2]" 2
47 1 10 GLU HA 1 11 LYS H . . 3.300 2.264 2.138 2.842 . 0 0 "[ . 1 . 2]" 2
48 1 11 LYS H 1 11 LYS QB . . 3.730 2.387 2.155 2.847 . 0 0 "[ . 1 . 2]" 2
49 1 11 LYS H 1 11 LYS HG2 . . 5.120 4.108 2.133 4.749 . 0 0 "[ . 1 . 2]" 2
50 1 11 LYS H 1 11 LYS HG3 . . 5.120 3.456 2.024 4.538 . 0 0 "[ . 1 . 2]" 2
51 1 15 CYS H 1 20 LYS H . . 4.590 3.275 2.311 3.935 . 0 0 "[ . 1 . 2]" 2
52 1 19 GLY H 1 20 LYS H . . 3.700 2.047 1.869 2.880 . 0 0 "[ . 1 . 2]" 2
53 1 15 CYS HB3 1 20 LYS H . . 3.520 1.972 1.898 2.279 . 0 0 "[ . 1 . 2]" 2
54 1 15 CYS HB2 1 20 LYS H . . 4.050 3.568 3.231 3.920 . 0 0 "[ . 1 . 2]" 2
55 1 20 LYS H 1 20 LYS HB3 . . 3.710 2.946 2.795 3.491 . 0 0 "[ . 1 . 2]" 2
56 1 20 LYS H 1 20 LYS HB2 . . 3.710 2.390 2.154 3.060 . 0 0 "[ . 1 . 2]" 2
57 1 29 THR H 1 30 ASN H . . 3.740 2.844 2.723 2.956 . 0 0 "[ . 1 . 2]" 2
58 1 29 THR H 1 29 THR HB . . 3.420 2.607 2.332 2.996 . 0 0 "[ . 1 . 2]" 2
59 1 28 LEU HB3 1 29 THR H . . 3.670 2.250 2.035 2.494 . 0 0 "[ . 1 . 2]" 2
60 1 29 THR H 1 29 THR MG . . 3.650 2.484 1.997 3.712 0.062 7 0 "[ . 1 . 2]" 2
61 1 28 LEU H 1 29 THR H . . 3.530 2.773 2.599 2.944 . 0 0 "[ . 1 . 2]" 2
62 1 22 PHE QD 1 28 LEU H . . 4.640 4.229 4.028 4.559 . 0 0 "[ . 1 . 2]" 2
63 1 26 SER HA 1 28 LEU H . . 4.750 4.410 4.172 4.685 . 0 0 "[ . 1 . 2]" 2
64 1 25 ASN HA 1 28 LEU H . . 3.850 3.252 2.987 3.518 . 0 0 "[ . 1 . 2]" 2
65 1 28 LEU H 1 28 LEU HB3 . . 3.300 2.320 2.236 2.446 . 0 0 "[ . 1 . 2]" 2
66 1 28 LEU H 1 28 LEU HB2 . . 3.460 2.751 2.573 2.918 . 0 0 "[ . 1 . 2]" 2
67 1 17 GLU H 1 19 GLY H . . 4.240 3.907 3.007 4.245 0.005 20 0 "[ . 1 . 2]" 2
68 1 15 CYS H 1 19 GLY H . . 4.820 4.465 4.016 4.802 . 0 0 "[ . 1 . 2]" 2
69 1 16 ASN HA 1 19 GLY H . . 4.630 4.319 3.844 4.631 0.001 15 0 "[ . 1 . 2]" 2
70 1 22 PHE H 1 22 PHE QE . . 4.710 4.580 4.445 4.716 0.006 18 0 "[ . 1 . 2]" 2
71 1 14 LYS HA 1 22 PHE H . . 4.160 3.608 3.198 4.041 . 0 0 "[ . 1 . 2]" 2
72 1 13 TYR HB2 1 22 PHE H . . 4.180 3.324 2.967 3.738 . 0 0 "[ . 1 . 2]" 2
73 1 21 VAL HB 1 22 PHE H . . 4.190 3.976 3.673 4.126 . 0 0 "[ . 1 . 2]" 2
74 1 11 LYS QD 1 22 PHE H . . 4.990 4.390 3.127 4.991 0.001 11 0 "[ . 1 . 2]" 2
75 1 21 VAL MG1 1 22 PHE H . . 3.630 2.201 1.808 2.526 . 0 0 "[ . 1 . 2]" 2
76 1 22 PHE H 1 22 PHE HB2 . . 3.700 2.893 2.746 3.102 . 0 0 "[ . 1 . 2]" 2
77 1 11 LYS QB 1 22 PHE H . . 4.790 3.604 3.149 4.341 . 0 0 "[ . 1 . 2]" 2
78 1 15 CYS HB3 1 17 GLU H . . 4.700 4.197 3.361 4.605 . 0 0 "[ . 1 . 2]" 2
79 1 16 ASN H 1 17 GLU H . . 4.360 2.447 1.956 3.039 . 0 0 "[ . 1 . 2]" 2
80 1 17 GLU H 1 18 CYS H . . 3.230 2.661 1.799 3.166 . 0 0 "[ . 1 . 2]" 2
81 1 16 ASN QB 1 17 GLU H . . 3.960 3.063 2.593 3.867 . 0 0 "[ . 1 . 2]" 2
82 1 17 GLU H 1 17 GLU HB3 . . 3.610 3.124 2.574 3.633 0.023 15 0 "[ . 1 . 2]" 2
83 1 17 GLU H 1 17 GLU HB2 . . 3.610 2.381 2.172 2.705 . 0 0 "[ . 1 . 2]" 2
84 1 31 HIS H 1 32 TRP H . . 3.630 2.911 2.635 3.083 . 0 0 "[ . 1 . 2]" 2
85 1 31 HIS H 1 31 HIS HB3 . . 3.230 2.348 2.250 2.463 . 0 0 "[ . 1 . 2]" 2
86 1 31 HIS H 1 31 HIS HB2 . . 3.230 2.751 2.625 2.907 . 0 0 "[ . 1 . 2]" 2
87 1 27 HIS H 1 27 HIS HD2 . . 4.130 2.251 1.900 3.242 . 0 0 "[ . 1 . 2]" 2
88 1 27 HIS H 1 28 LEU H . . 4.600 2.629 2.148 2.879 . 0 0 "[ . 1 . 2]" 2
89 1 25 ASN HD21 1 29 THR MG . . 4.920 3.828 2.083 4.822 . 0 0 "[ . 1 . 2]" 2
90 1 28 LEU MD1 1 31 HIS H . . 4.950 4.524 4.147 4.849 . 0 0 "[ . 1 . 2]" 2
91 1 28 LEU MD1 1 32 TRP HE1 . . 3.810 2.362 1.937 2.866 . 0 0 "[ . 1 . 2]" 2
92 1 10 GLU H 1 10 GLU HG2 . . 5.240 3.837 2.006 5.180 . 0 0 "[ . 1 . 2]" 2
93 1 10 GLU H 1 10 GLU HG3 . . 5.240 3.851 2.751 4.652 . 0 0 "[ . 1 . 2]" 2
94 1 12 PRO HB3 1 13 TYR H . . 4.510 4.457 4.341 4.511 0.001 8 0 "[ . 1 . 2]" 2
95 1 13 TYR H 1 21 VAL MG1 . . 4.610 4.005 3.546 4.389 . 0 0 "[ . 1 . 2]" 2
96 1 13 TYR H 1 22 PHE H . . 4.810 4.510 4.081 4.806 . 0 0 "[ . 1 . 2]" 2
97 1 12 PRO HA 1 13 TYR H . . 3.480 3.340 3.291 3.433 . 0 0 "[ . 1 . 2]" 2
98 1 12 PRO HD2 1 13 TYR H . . 4.360 2.939 2.752 3.043 . 0 0 "[ . 1 . 2]" 2
99 1 13 TYR H 1 13 TYR HB2 . . 3.340 2.669 2.348 3.037 . 0 0 "[ . 1 . 2]" 2
100 1 12 PRO HB2 1 13 TYR H . . 4.510 3.881 3.679 3.976 . 0 0 "[ . 1 . 2]" 2
101 1 15 CYS H 1 22 PHE QD . . 5.000 3.894 3.321 4.534 . 0 0 "[ . 1 . 2]" 2
102 1 14 LYS HA 1 15 CYS H . . 3.050 2.190 2.140 2.361 . 0 0 "[ . 1 . 2]" 2
103 1 14 LYS HB2 1 15 CYS H . . 4.770 4.142 3.859 4.370 . 0 0 "[ . 1 . 2]" 2
104 1 14 LYS HG2 1 15 CYS H . . 4.360 2.972 1.973 4.303 . 0 0 "[ . 1 . 2]" 2
105 1 15 CYS H 1 21 VAL MG2 . . 4.780 4.093 3.768 4.453 . 0 0 "[ . 1 . 2]" 2
106 1 12 PRO HG3 1 13 TYR H . . 4.900 4.505 4.242 4.634 . 0 0 "[ . 1 . 2]" 2
107 1 12 PRO HG2 1 13 TYR H . . 4.900 3.198 2.852 3.368 . 0 0 "[ . 1 . 2]" 2
108 1 14 LYS HB3 1 15 CYS H . . 4.770 4.127 3.519 4.429 . 0 0 "[ . 1 . 2]" 2
109 1 33 ARG HA 1 36 THR H . . 4.590 3.258 3.155 3.406 . 0 0 "[ . 1 . 2]" 2
110 1 29 THR HB 1 30 ASN H . . 4.250 3.781 2.521 4.185 . 0 0 "[ . 1 . 2]" 2
111 1 28 LEU HA 1 30 ASN H . . 4.700 4.102 3.752 4.459 . 0 0 "[ . 1 . 2]" 2
112 1 29 THR MG 1 30 ASN H . . 4.380 2.389 1.873 4.051 . 0 0 "[ . 1 . 2]" 2
113 1 35 HIS H 1 36 THR H . . 3.640 2.391 2.144 2.574 . 0 0 "[ . 1 . 2]" 2
114 1 12 PRO HD2 1 13 TYR QE . . 4.950 4.324 2.971 4.963 0.013 20 0 "[ . 1 . 2]" 2
115 1 13 TYR QE 1 28 LEU MD2 . . 4.740 4.304 3.783 4.743 0.003 20 0 "[ . 1 . 2]" 2
116 1 13 TYR QE 1 24 GLN HA . . 3.930 3.625 3.029 3.932 0.002 7 0 "[ . 1 . 2]" 2
117 1 12 PRO HG3 1 13 TYR QE . . 4.730 3.625 3.251 4.122 . 0 0 "[ . 1 . 2]" 2
118 1 12 PRO HG2 1 13 TYR QE . . 4.730 2.587 2.303 2.946 . 0 0 "[ . 1 . 2]" 2
119 1 26 SER HA 1 27 HIS HD2 . . 4.810 4.607 4.207 4.811 0.001 5 0 "[ . 1 . 2]" 2
120 1 27 HIS HA 1 27 HIS HD2 . . 3.540 2.886 2.446 3.240 . 0 0 "[ . 1 . 2]" 2
121 1 26 SER QB 1 27 HIS HD2 . . 4.830 2.456 2.135 3.715 . 0 0 "[ . 1 . 2]" 2
122 1 20 LYS HD2 1 31 HIS HE1 . . 4.210 3.465 2.446 4.209 . 0 0 "[ . 1 . 2]" 2
123 1 31 HIS HE1 1 34 ILE MG . . 4.820 4.437 3.872 4.798 . 0 0 "[ . 1 . 2]" 2
124 1 16 ASN QB 1 32 TRP HZ2 . . 4.340 3.092 1.941 4.239 . 0 0 "[ . 1 . 2]" 2
125 1 13 TYR QD 1 14 LYS H . . 4.550 4.402 4.187 4.551 0.001 11 0 "[ . 1 . 2]" 2
126 1 13 TYR H 1 13 TYR QD . . 3.700 2.911 2.537 3.424 . 0 0 "[ . 1 . 2]" 2
127 1 13 TYR HA 1 13 TYR QD . . 3.280 2.679 2.224 2.957 . 0 0 "[ . 1 . 2]" 2
128 1 12 PRO HA 1 13 TYR QD . . 5.080 4.879 4.220 5.080 0.000 1 0 "[ . 1 . 2]" 2
129 1 12 PRO HD2 1 13 TYR QD . . 4.080 3.340 2.816 3.945 . 0 0 "[ . 1 . 2]" 2
130 1 13 TYR QD 1 28 LEU HB3 . . 4.660 3.710 3.105 4.196 . 0 0 "[ . 1 . 2]" 2
131 1 13 TYR QD 1 28 LEU MD2 . . 3.540 2.648 1.950 3.452 . 0 0 "[ . 1 . 2]" 2
132 1 22 PHE H 1 22 PHE QD . . 3.460 2.602 2.418 2.836 . 0 0 "[ . 1 . 2]" 2
133 1 14 LYS HA 1 22 PHE QD . . 4.590 3.514 2.737 4.083 . 0 0 "[ . 1 . 2]" 2
134 1 22 PHE HA 1 22 PHE QD . . 3.620 3.127 3.000 3.235 . 0 0 "[ . 1 . 2]" 2
135 1 22 PHE QD 1 27 HIS HB2 . . 3.880 3.324 2.993 3.848 . 0 0 "[ . 1 . 2]" 2
136 1 22 PHE QD 1 28 LEU HB3 . . 4.660 4.260 3.905 4.658 . 0 0 "[ . 1 . 2]" 2
137 1 22 PHE QD 1 28 LEU HB2 . . 3.880 2.572 2.194 3.026 . 0 0 "[ . 1 . 2]" 2
138 1 22 PHE QD 1 28 LEU MD1 . . 3.430 2.439 2.155 2.766 . 0 0 "[ . 1 . 2]" 2
139 1 21 VAL MG1 1 22 PHE QD . . 4.960 4.205 3.918 4.501 . 0 0 "[ . 1 . 2]" 2
140 1 21 VAL MG2 1 22 PHE QD . . 5.500 4.903 4.713 5.112 . 0 0 "[ . 1 . 2]" 2
141 1 15 CYS HB3 1 22 PHE QE . . 4.080 3.398 2.991 3.913 . 0 0 "[ . 1 . 2]" 2
142 1 15 CYS HB2 1 22 PHE QE . . 3.560 2.527 2.069 3.008 . 0 0 "[ . 1 . 2]" 2
143 1 22 PHE QE 1 31 HIS HB2 . . 4.350 2.911 2.556 3.261 . 0 0 "[ . 1 . 2]" 2
144 1 20 LYS HB2 1 22 PHE QE . . 4.250 3.689 2.717 4.158 . 0 0 "[ . 1 . 2]" 2
145 1 15 CYS H 1 22 PHE QE . . 4.420 3.171 2.348 4.247 . 0 0 "[ . 1 . 2]" 2
146 1 22 PHE QE 1 28 LEU HA . . 4.000 3.258 2.807 3.550 . 0 0 "[ . 1 . 2]" 2
147 1 22 PHE QE 1 31 HIS HB3 . . 4.350 3.469 3.159 3.657 . 0 0 "[ . 1 . 2]" 2
148 1 22 PHE QE 1 28 LEU MD1 . . 3.600 2.261 1.961 2.824 . 0 0 "[ . 1 . 2]" 2
149 1 22 PHE HZ 1 31 HIS HE1 . . 4.810 4.062 3.500 4.545 . 0 0 "[ . 1 . 2]" 2
150 1 22 PHE HZ 1 31 HIS HB2 . . 4.490 2.620 2.255 2.880 . 0 0 "[ . 1 . 2]" 2
151 1 20 LYS HG3 1 22 PHE HZ . . 4.810 4.050 3.253 4.808 . 0 0 "[ . 1 . 2]" 2
152 1 22 PHE HZ 1 31 HIS HD2 . . 4.690 3.681 2.951 4.369 . 0 0 "[ . 1 . 2]" 2
153 1 22 PHE HZ 1 31 HIS HB3 . . 4.490 3.172 2.947 3.446 . 0 0 "[ . 1 . 2]" 2
154 1 20 LYS HB2 1 22 PHE HZ . . 4.630 3.549 2.953 4.111 . 0 0 "[ . 1 . 2]" 2
155 1 20 LYS HG2 1 22 PHE HZ . . 4.810 2.921 1.994 4.732 . 0 0 "[ . 1 . 2]" 2
156 1 32 TRP HE3 1 35 HIS HD2 . . 4.820 4.746 4.128 4.820 0.000 17 0 "[ . 1 . 2]" 2
157 1 17 GLU HB2 1 35 HIS HD2 . . 4.820 3.080 2.389 4.363 . 0 0 "[ . 1 . 2]" 2
158 1 17 GLU HB3 1 35 HIS HD2 . . 4.820 3.141 2.258 4.022 . 0 0 "[ . 1 . 2]" 2
159 1 31 HIS HD2 1 32 TRP HA . . 3.900 3.170 2.807 3.821 . 0 0 "[ . 1 . 2]" 2
160 1 15 CYS HB3 1 31 HIS HD2 . . 3.940 3.798 3.534 3.951 0.011 18 0 "[ . 1 . 2]" 2
161 1 15 CYS HB2 1 31 HIS HD2 . . 3.250 2.689 2.332 3.076 . 0 0 "[ . 1 . 2]" 2
162 1 28 LEU MD1 1 31 HIS HD2 . . 3.490 3.124 2.590 3.482 . 0 0 "[ . 1 . 2]" 2
163 1 31 HIS HD2 1 32 TRP H . . 4.630 3.157 2.750 3.539 . 0 0 "[ . 1 . 2]" 2
164 1 31 HIS HD2 1 35 HIS HD2 . . 4.480 3.115 2.617 4.053 . 0 0 "[ . 1 . 2]" 2
165 1 14 LYS HA 1 15 CYS HB3 . . 4.710 4.609 4.438 4.711 0.001 19 0 "[ . 1 . 2]" 2
166 1 13 TYR HB3 1 14 LYS HA . . 5.180 4.603 4.476 4.901 . 0 0 "[ . 1 . 2]" 2
167 1 14 LYS HA 1 14 LYS HG2 . . 4.120 3.057 2.228 3.880 . 0 0 "[ . 1 . 2]" 2
168 1 32 TRP H 1 32 TRP HD1 . . 4.460 2.359 2.198 2.556 . 0 0 "[ . 1 . 2]" 2
169 1 31 HIS HD2 1 32 TRP HD1 . . 4.130 3.067 2.724 3.510 . 0 0 "[ . 1 . 2]" 2
170 1 32 TRP HD1 1 35 HIS HD2 . . 4.680 4.554 4.377 4.691 0.011 18 0 "[ . 1 . 2]" 2
171 1 32 TRP HA 1 32 TRP HD1 . . 3.460 3.413 3.348 3.462 0.002 5 0 "[ . 1 . 2]" 2
172 1 28 LEU HG 1 32 TRP HD1 . . 3.830 2.941 2.294 3.386 . 0 0 "[ . 1 . 2]" 2
173 1 28 LEU MD1 1 32 TRP HD1 . . 3.770 2.346 1.988 2.664 . 0 0 "[ . 1 . 2]" 2
174 1 32 TRP HE3 1 36 THR MG . . 4.480 2.806 2.263 4.102 . 0 0 "[ . 1 . 2]" 2
175 1 32 TRP HB3 1 32 TRP HE3 . . 4.170 2.422 2.408 2.436 . 0 0 "[ . 1 . 2]" 2
176 1 32 TRP HB2 1 32 TRP HE3 . . 4.170 3.942 3.899 3.974 . 0 0 "[ . 1 . 2]" 2
177 1 15 CYS HB2 1 28 LEU MD1 . . 3.480 2.328 1.969 2.649 . 0 0 "[ . 1 . 2]" 2
178 1 14 LYS HG3 1 19 GLY HA3 . . 5.500 5.035 4.516 5.499 . 0 0 "[ . 1 . 2]" 2
179 1 14 LYS HG2 1 19 GLY HA2 . . 4.390 3.380 2.632 4.354 . 0 0 "[ . 1 . 2]" 2
180 1 23 THR H 1 23 THR MG . . 4.500 2.813 1.867 3.855 . 0 0 "[ . 1 . 2]" 2
181 1 21 VAL H 1 21 VAL MG1 . . 4.060 3.872 3.814 3.945 . 0 0 "[ . 1 . 2]" 2
182 1 29 THR MG 1 30 ASN HA . . 4.670 3.556 3.182 4.209 . 0 0 "[ . 1 . 2]" 2
183 1 25 ASN HD22 1 29 THR MG . . 4.920 3.728 2.558 4.698 . 0 0 "[ . 1 . 2]" 2
184 1 14 LYS HA 1 21 VAL MG1 . . 3.810 3.691 3.280 3.814 0.004 4 0 "[ . 1 . 2]" 2
185 1 36 THR H 1 36 THR MG . . 3.970 2.504 2.015 2.761 . 0 0 "[ . 1 . 2]" 2
186 1 35 HIS H 1 36 THR MG . . 4.920 4.159 3.745 4.393 . 0 0 "[ . 1 . 2]" 2
187 1 35 HIS HB2 1 36 THR MG . . 4.800 3.345 2.825 3.537 . 0 0 "[ . 1 . 2]" 2
188 1 29 THR HA 1 29 THR MG . . 3.260 3.013 2.167 3.207 . 0 0 "[ . 1 . 2]" 2
189 1 32 TRP HZ3 1 36 THR MG . . 5.500 4.127 3.694 5.396 . 0 0 "[ . 1 . 2]" 2
190 1 33 ARG H 1 36 THR MG . . 5.500 4.745 3.992 5.155 . 0 0 "[ . 1 . 2]" 2
191 1 35 HIS HB3 1 36 THR MG . . 4.800 3.755 3.384 4.175 . 0 0 "[ . 1 . 2]" 2
192 1 42 GLY QA 1 43 PRO QD . . 3.510 1.981 1.909 2.068 . 0 0 "[ . 1 . 2]" 2
193 1 21 VAL MG2 1 22 PHE H . . 4.440 3.897 3.659 3.979 . 0 0 "[ . 1 . 2]" 2
194 1 21 VAL H 1 21 VAL MG2 . . 3.230 2.852 2.486 3.174 . 0 0 "[ . 1 . 2]" 2
195 1 14 LYS HA 1 21 VAL MG2 . . 4.190 3.183 2.792 3.653 . 0 0 "[ . 1 . 2]" 2
196 1 14 LYS QE 1 21 VAL MG2 . . 4.190 3.449 2.453 4.193 0.003 5 0 "[ . 1 . 2]" 2
197 1 22 PHE HB3 1 23 THR H . . 4.920 2.471 2.222 2.894 . 0 0 "[ . 1 . 2]" 2
198 1 22 PHE H 1 22 PHE HB3 . . 4.170 3.892 3.827 4.002 . 0 0 "[ . 1 . 2]" 2
199 1 22 PHE HB3 1 28 LEU H . . 4.450 4.006 3.644 4.392 . 0 0 "[ . 1 . 2]" 2
200 1 22 PHE HB3 1 28 LEU HB2 . . 4.650 4.276 3.857 4.574 . 0 0 "[ . 1 . 2]" 2
201 1 22 PHE HB3 1 28 LEU MD1 . . 5.420 5.209 4.837 5.412 . 0 0 "[ . 1 . 2]" 2
202 1 22 PHE HB2 1 28 LEU HB3 . . 4.740 4.102 3.706 4.527 . 0 0 "[ . 1 . 2]" 2
203 1 22 PHE HB2 1 28 LEU H . . 4.240 3.512 3.214 3.893 . 0 0 "[ . 1 . 2]" 2
204 1 22 PHE HB2 1 23 THR HA . . 5.110 4.828 4.545 5.105 . 0 0 "[ . 1 . 2]" 2
205 1 13 TYR HB2 1 22 PHE HB2 . . 3.630 3.348 2.742 3.647 0.017 15 0 "[ . 1 . 2]" 2
206 1 22 PHE HB2 1 28 LEU HB2 . . 4.150 2.857 2.497 3.121 . 0 0 "[ . 1 . 2]" 2
207 1 14 LYS QE 1 19 GLY H . . 5.320 4.623 3.995 5.265 . 0 0 "[ . 1 . 2]" 2
208 1 11 LYS HA 1 11 LYS QE . . 5.330 4.063 2.318 5.326 . 0 0 "[ . 1 . 2]" 2
209 1 14 LYS QE 1 16 ASN HA . . 5.500 4.054 2.462 5.364 . 0 0 "[ . 1 . 2]" 2
210 1 14 LYS QE 1 19 GLY HA3 . . 4.120 3.316 2.657 3.707 . 0 0 "[ . 1 . 2]" 2
211 1 14 LYS QE 1 19 GLY HA2 . . 3.810 2.504 1.988 3.196 . 0 0 "[ . 1 . 2]" 2
212 1 11 LYS QE 1 21 VAL MG1 . . 4.090 3.411 2.110 4.094 0.004 16 0 "[ . 1 . 2]" 2
213 1 28 LEU HG 1 29 THR HA . . 4.550 3.169 2.982 3.427 . 0 0 "[ . 1 . 2]" 2
214 1 13 TYR HB3 1 28 LEU HB3 . . 4.230 3.243 2.760 3.521 . 0 0 "[ . 1 . 2]" 2
215 1 28 LEU HB2 1 29 THR H . . 4.590 3.719 3.573 3.879 . 0 0 "[ . 1 . 2]" 2
216 1 13 TYR HB3 1 28 LEU HB2 . . 3.960 2.704 2.028 3.010 . 0 0 "[ . 1 . 2]" 2
217 1 31 HIS HA 1 34 ILE MG . . 4.200 3.272 2.194 3.720 . 0 0 "[ . 1 . 2]" 2
218 1 34 ILE H 1 34 ILE MG . . 3.410 1.991 1.865 2.317 . 0 0 "[ . 1 . 2]" 2
219 1 34 ILE MG 1 35 HIS H . . 4.350 3.895 3.711 4.060 . 0 0 "[ . 1 . 2]" 2
220 1 33 ARG HB2 1 34 ILE MG . . 4.480 3.195 3.031 3.431 . 0 0 "[ . 1 . 2]" 2
221 1 34 ILE HA 1 34 ILE HB . . 3.020 2.406 2.325 2.447 . 0 0 "[ . 1 . 2]" 2
222 1 34 ILE HA 1 34 ILE MD . . 4.180 3.854 3.507 4.088 . 0 0 "[ . 1 . 2]" 2
223 1 34 ILE HA 1 34 ILE MG . . 3.220 2.420 2.288 2.521 . 0 0 "[ . 1 . 2]" 2
224 1 33 ARG HB2 1 34 ILE HA . . 4.720 4.409 4.212 4.564 . 0 0 "[ . 1 . 2]" 2
225 1 30 ASN H 1 30 ASN HB3 . . 3.830 2.810 2.225 3.613 . 0 0 "[ . 1 . 2]" 2
226 1 36 THR HA 1 36 THR MG . . 3.390 2.444 2.163 3.204 . 0 0 "[ . 1 . 2]" 2
227 1 13 TYR HB2 1 22 PHE QD . . 5.180 4.057 3.558 4.407 . 0 0 "[ . 1 . 2]" 2
228 1 16 ASN QB 1 32 TRP HH2 . . 5.420 3.863 2.246 5.418 . 0 0 "[ . 1 . 2]" 2
229 1 13 TYR HB3 1 22 PHE QD . . 4.790 3.777 3.316 4.266 . 0 0 "[ . 1 . 2]" 2
230 1 30 ASN H 1 30 ASN HB2 . . 3.830 2.578 2.182 3.010 . 0 0 "[ . 1 . 2]" 2
231 1 13 TYR HB2 1 14 LYS H . . 4.630 4.362 4.158 4.542 . 0 0 "[ . 1 . 2]" 2
232 1 13 TYR HB2 1 28 LEU MD2 . . 3.800 3.605 3.257 3.801 0.001 5 0 "[ . 1 . 2]" 2
233 1 12 PRO HD2 1 13 TYR HB2 . . 5.400 4.540 4.319 5.361 . 0 0 "[ . 1 . 2]" 2
234 1 13 TYR HB2 1 22 PHE HB3 . . 5.500 4.896 4.334 5.181 . 0 0 "[ . 1 . 2]" 2
235 1 13 TYR HB2 1 28 LEU HB3 . . 4.980 4.652 4.105 4.988 0.008 15 0 "[ . 1 . 2]" 2
236 1 13 TYR H 1 13 TYR HB3 . . 4.060 3.766 3.562 3.988 . 0 0 "[ . 1 . 2]" 2
237 1 13 TYR HB3 1 22 PHE H . . 4.770 4.139 3.712 4.767 . 0 0 "[ . 1 . 2]" 2
238 1 31 HIS HE1 1 34 ILE MD . . 3.440 2.408 1.977 3.116 . 0 0 "[ . 1 . 2]" 2
239 1 34 ILE MD 1 35 HIS HE1 . . 3.930 2.898 2.470 3.413 . 0 0 "[ . 1 . 2]" 2
240 1 32 TRP HA 1 34 ILE MD . . 5.500 4.634 4.013 5.080 . 0 0 "[ . 1 . 2]" 2
241 1 34 ILE HB 1 34 ILE MD . . 3.300 2.160 2.088 2.273 . 0 0 "[ . 1 . 2]" 2
242 1 26 SER HA 1 29 THR H . . 4.360 3.945 3.418 4.230 . 0 0 "[ . 1 . 2]" 2
243 1 26 SER HA 1 29 THR MG . . 4.320 2.402 1.836 4.325 0.005 5 0 "[ . 1 . 2]" 2
244 1 28 LEU MD1 1 32 TRP HA . . 5.230 4.929 4.640 5.167 . 0 0 "[ . 1 . 2]" 2
245 1 32 TRP HA 1 32 TRP HE3 . . 4.030 3.959 3.889 4.029 . 0 0 "[ . 1 . 2]" 2
246 1 32 TRP HA 1 35 HIS HD2 . . 3.580 2.341 2.040 2.658 . 0 0 "[ . 1 . 2]" 2
247 1 14 LYS HB3 1 21 VAL MG2 . . 4.320 4.120 3.652 4.328 0.008 15 0 "[ . 1 . 2]" 2
248 1 14 LYS HB2 1 21 VAL MG2 . . 4.320 2.776 2.176 3.286 . 0 0 "[ . 1 . 2]" 2
249 1 17 GLU H 1 17 GLU HG3 . . 4.800 4.331 3.513 4.803 0.003 12 0 "[ . 1 . 2]" 2
250 1 17 GLU HA 1 17 GLU HG2 . . 4.250 3.092 2.179 3.793 . 0 0 "[ . 1 . 2]" 2
251 1 17 GLU H 1 17 GLU HG2 . . 4.800 3.995 2.359 4.632 . 0 0 "[ . 1 . 2]" 2
252 1 31 HIS HA 1 33 ARG H . . 4.960 3.749 3.503 4.027 . 0 0 "[ . 1 . 2]" 2
253 1 31 HIS HA 1 34 ILE H . . 4.510 3.708 3.508 3.824 . 0 0 "[ . 1 . 2]" 2
254 1 22 PHE HZ 1 31 HIS HA . . 4.930 4.707 4.342 4.932 0.002 18 0 "[ . 1 . 2]" 2
255 1 31 HIS HA 1 34 ILE HG12 . . 5.110 3.714 3.480 4.114 . 0 0 "[ . 1 . 2]" 2
256 1 31 HIS HA 1 34 ILE MD . . 5.180 4.819 4.422 5.184 0.004 3 0 "[ . 1 . 2]" 2
257 1 33 ARG HA 1 33 ARG HG2 . . 4.120 2.469 2.218 2.695 . 0 0 "[ . 1 . 2]" 2
258 1 33 ARG HA 1 36 THR MG . . 4.100 3.483 2.726 4.095 . 0 0 "[ . 1 . 2]" 2
259 1 16 ASN QB 1 17 GLU HA . . 4.700 4.148 3.820 4.642 . 0 0 "[ . 1 . 2]" 2
260 1 17 GLU HA 1 17 GLU HG3 . . 4.250 3.216 2.226 3.695 . 0 0 "[ . 1 . 2]" 2
261 1 20 LYS HA 1 21 VAL H . . 2.770 2.367 2.174 2.664 . 0 0 "[ . 1 . 2]" 2
262 1 20 LYS HA 1 21 VAL HB . . 4.710 4.567 4.452 4.700 . 0 0 "[ . 1 . 2]" 2
263 1 20 LYS HA 1 20 LYS HG2 . . 3.770 3.226 2.348 3.631 . 0 0 "[ . 1 . 2]" 2
264 1 20 LYS HA 1 21 VAL MG2 . . 3.750 3.415 3.298 3.575 . 0 0 "[ . 1 . 2]" 2
265 1 20 LYS HA 1 20 LYS HG3 . . 3.770 2.437 2.180 3.594 . 0 0 "[ . 1 . 2]" 2
266 1 21 VAL H 1 21 VAL HB . . 3.450 2.715 2.557 2.968 . 0 0 "[ . 1 . 2]" 2
267 1 20 LYS HB3 1 21 VAL H . . 4.460 3.224 1.957 3.829 . 0 0 "[ . 1 . 2]" 2
268 1 20 LYS HB3 1 22 PHE QE . . 4.250 2.338 1.997 3.018 . 0 0 "[ . 1 . 2]" 2
269 1 20 LYS HB3 1 22 PHE HZ . . 4.630 2.632 2.078 3.273 . 0 0 "[ . 1 . 2]" 2
270 1 28 LEU HA 1 32 TRP H . . 5.200 4.273 4.015 4.468 . 0 0 "[ . 1 . 2]" 2
271 1 28 LEU HA 1 31 HIS H . . 4.250 3.318 2.940 3.629 . 0 0 "[ . 1 . 2]" 2
272 1 22 PHE QD 1 28 LEU HA . . 4.150 3.245 2.883 3.634 . 0 0 "[ . 1 . 2]" 2
273 1 28 LEU HA 1 28 LEU MD1 . . 3.220 2.298 1.982 2.616 . 0 0 "[ . 1 . 2]" 2
274 1 24 GLN HA 1 24 GLN HG3 . . 4.180 3.343 2.368 3.872 . 0 0 "[ . 1 . 2]" 2
275 1 24 GLN HA 1 24 GLN HG2 . . 4.180 2.860 2.262 3.924 . 0 0 "[ . 1 . 2]" 2
276 1 11 LYS QB 1 12 PRO HD2 . . 3.960 2.493 1.990 4.028 0.068 17 0 "[ . 1 . 2]" 2
277 1 11 LYS QB 1 21 VAL MG1 . . 3.980 2.157 1.777 3.429 . 0 0 "[ . 1 . 2]" 2
278 1 10 GLU HA 1 11 LYS QB . . 4.590 4.304 3.992 4.593 0.003 15 0 "[ . 1 . 2]" 2
279 1 13 TYR QD 1 25 ASN HA . . 3.930 2.935 2.077 3.478 . 0 0 "[ . 1 . 2]" 2
280 1 13 TYR QE 1 25 ASN HA . . 4.890 3.385 2.624 4.049 . 0 0 "[ . 1 . 2]" 2
281 1 24 GLN HA 1 25 ASN HA . . 4.390 4.310 4.297 4.330 . 0 0 "[ . 1 . 2]" 2
282 1 13 TYR HB3 1 25 ASN HA . . 4.220 3.638 3.142 4.215 . 0 0 "[ . 1 . 2]" 2
283 1 13 TYR HB2 1 25 ASN HA . . 4.840 4.424 3.852 4.856 0.016 15 0 "[ . 1 . 2]" 2
284 1 25 ASN HA 1 28 LEU HB3 . . 3.590 2.825 2.527 3.221 . 0 0 "[ . 1 . 2]" 2
285 1 25 ASN HA 1 28 LEU HB2 . . 4.230 3.890 3.558 4.230 0.000 20 0 "[ . 1 . 2]" 2
286 1 22 PHE QD 1 27 HIS HB3 . . 3.880 2.383 2.000 2.960 . 0 0 "[ . 1 . 2]" 2
287 1 27 HIS HB3 1 28 LEU H . . 4.620 3.677 3.460 3.920 . 0 0 "[ . 1 . 2]" 2
288 1 22 PHE HB3 1 27 HIS HB3 . . 3.890 2.682 2.282 2.997 . 0 0 "[ . 1 . 2]" 2
289 1 22 PHE HB2 1 27 HIS HB3 . . 4.200 3.904 3.456 4.203 0.003 15 0 "[ . 1 . 2]" 2
290 1 27 HIS HB2 1 28 LEU H . . 4.620 2.622 2.432 2.870 . 0 0 "[ . 1 . 2]" 2
291 1 22 PHE HB3 1 27 HIS HB2 . . 3.890 2.224 1.994 2.705 . 0 0 "[ . 1 . 2]" 2
292 1 24 GLN H 1 27 HIS HB2 . . 4.600 3.214 2.964 3.429 . 0 0 "[ . 1 . 2]" 2
293 1 22 PHE HB2 1 27 HIS HB2 . . 4.200 2.954 2.659 3.303 . 0 0 "[ . 1 . 2]" 2
294 1 10 GLU HB3 1 11 LYS H . . 5.500 3.708 2.475 4.424 . 0 0 "[ . 1 . 2]" 2
295 1 10 GLU HB2 1 11 LYS H . . 5.500 4.011 2.541 4.646 . 0 0 "[ . 1 . 2]" 2
296 1 33 ARG H 1 33 ARG HB3 . . 3.830 3.586 3.557 3.607 . 0 0 "[ . 1 . 2]" 2
297 1 11 LYS HA 1 12 PRO HD3 . . 3.370 2.396 2.254 3.066 . 0 0 "[ . 1 . 2]" 2
298 1 13 TYR QD 1 24 GLN HA . . 4.890 3.971 3.132 4.586 . 0 0 "[ . 1 . 2]" 2
299 1 15 CYS H 1 15 CYS HB3 . . 3.250 2.482 2.328 2.617 . 0 0 "[ . 1 . 2]" 2
300 1 15 CYS HB3 1 19 GLY H . . 3.700 2.656 2.307 2.963 . 0 0 "[ . 1 . 2]" 2
301 1 15 CYS HB3 1 20 LYS HB3 . . 4.340 3.053 2.587 4.145 . 0 0 "[ . 1 . 2]" 2
302 1 15 CYS H 1 15 CYS HB2 . . 3.330 2.656 2.440 2.958 . 0 0 "[ . 1 . 2]" 2
303 1 15 CYS HB2 1 20 LYS HB2 . . 4.520 3.960 2.988 4.495 . 0 0 "[ . 1 . 2]" 2
304 1 15 CYS HB2 1 22 PHE QD . . 4.760 4.414 3.939 4.715 . 0 0 "[ . 1 . 2]" 2
305 1 15 CYS HB2 1 20 LYS HB3 . . 4.520 3.347 2.774 4.479 . 0 0 "[ . 1 . 2]" 2
306 1 15 CYS HB3 1 20 LYS HB2 . . 4.340 3.100 2.053 3.657 . 0 0 "[ . 1 . 2]" 2
307 1 15 CYS HB3 1 28 LEU MD1 . . 3.910 3.605 3.169 3.910 0.000 17 0 "[ . 1 . 2]" 2
308 1 15 CYS HB2 1 19 GLY H . . 4.470 4.314 3.973 4.470 . 0 0 "[ . 1 . 2]" 2
309 1 14 LYS HA 1 15 CYS HB2 . . 4.930 4.555 4.441 4.718 . 0 0 "[ . 1 . 2]" 2
310 1 10 GLU HA 1 11 LYS QD . . 5.500 4.383 3.084 5.508 0.008 11 0 "[ . 1 . 2]" 2
311 1 14 LYS QD 1 19 GLY HA3 . . 5.500 5.081 3.641 5.498 . 0 0 "[ . 1 . 2]" 2
312 1 14 LYS QD 1 19 GLY HA2 . . 4.620 4.045 2.064 4.618 . 0 0 "[ . 1 . 2]" 2
313 1 32 TRP HB3 1 33 ARG H . . 4.290 3.556 3.378 3.772 . 0 0 "[ . 1 . 2]" 2
314 1 32 TRP H 1 32 TRP HB2 . . 3.590 2.327 2.210 2.373 . 0 0 "[ . 1 . 2]" 2
315 1 32 TRP HB2 1 33 ARG H . . 4.290 3.042 2.882 3.299 . 0 0 "[ . 1 . 2]" 2
316 1 11 LYS HA 1 11 LYS QD . . 4.600 3.520 1.981 4.216 . 0 0 "[ . 1 . 2]" 2
317 1 20 LYS HD3 1 31 HIS HE1 . . 4.210 3.743 2.617 4.206 . 0 0 "[ . 1 . 2]" 2
318 1 20 LYS HD3 1 22 PHE HZ . . 4.670 3.304 2.002 4.314 . 0 0 "[ . 1 . 2]" 2
319 1 20 LYS HA 1 20 LYS HD3 . . 4.830 4.262 3.555 4.675 . 0 0 "[ . 1 . 2]" 2
320 1 20 LYS HD2 1 22 PHE HZ . . 4.670 3.793 2.046 4.679 0.009 5 0 "[ . 1 . 2]" 2
321 1 20 LYS HA 1 20 LYS HD2 . . 4.830 3.723 2.496 4.642 . 0 0 "[ . 1 . 2]" 2
322 1 39 LYS HA 1 39 LYS QD . . 4.990 3.650 2.075 4.455 . 0 0 "[ . 1 . 2]" 2
323 1 28 LEU MD1 1 31 HIS HB3 . . 4.610 3.148 2.914 3.409 . 0 0 "[ . 1 . 2]" 2
324 1 28 LEU MD1 1 31 HIS HB2 . . 4.610 4.366 4.098 4.611 0.001 18 0 "[ . 1 . 2]" 2
325 1 33 ARG HA 1 33 ARG HG3 . . 4.120 3.122 2.700 3.769 . 0 0 "[ . 1 . 2]" 2
326 1 34 ILE HG12 1 35 HIS H . . 4.820 3.504 3.200 3.836 . 0 0 "[ . 1 . 2]" 2
327 1 11 LYS HA 1 12 PRO HG3 . . 4.780 4.499 4.345 4.790 0.010 17 0 "[ . 1 . 2]" 2
328 1 31 HIS HA 1 34 ILE HG13 . . 5.110 4.689 4.118 5.134 0.024 18 0 "[ . 1 . 2]" 2
329 1 11 LYS HA 1 12 PRO HG2 . . 4.780 4.459 4.159 4.615 . 0 0 "[ . 1 . 2]" 2
330 1 20 LYS HG2 1 21 VAL H . . 4.240 3.087 1.955 4.181 . 0 0 "[ . 1 . 2]" 2
331 1 13 TYR HB3 1 28 LEU MD2 . . 3.460 2.104 1.849 2.384 . 0 0 "[ . 1 . 2]" 2
332 1 28 LEU HB3 1 28 LEU MD2 . . 3.580 2.251 2.042 2.401 . 0 0 "[ . 1 . 2]" 2
333 1 12 PRO HD3 1 13 TYR QD . . 4.900 4.704 4.415 4.963 0.063 18 0 "[ . 1 . 2]" 2
334 1 11 LYS HG2 1 12 PRO HD3 . . 5.500 4.656 3.529 5.509 0.009 18 0 "[ . 1 . 2]" 2
335 1 11 LYS HG3 1 12 PRO HD3 . . 5.500 4.105 3.293 5.517 0.017 17 0 "[ . 1 . 2]" 2
336 1 11 LYS HA 1 11 LYS HG3 . . 4.200 2.535 2.165 3.883 . 0 0 "[ . 1 . 2]" 2
337 1 11 LYS HA 1 11 LYS HG2 . . 4.200 3.264 2.518 3.702 . 0 0 "[ . 1 . 2]" 2
338 1 14 LYS HG2 1 19 GLY HA3 . . 5.500 4.872 3.823 5.491 . 0 0 "[ . 1 . 2]" 2
339 1 14 LYS HG2 1 21 VAL MG2 . . 4.100 3.543 2.108 4.106 0.006 15 0 "[ . 1 . 2]" 2
340 1 14 LYS HG3 1 15 CYS H . . 4.360 3.268 2.239 4.261 . 0 0 "[ . 1 . 2]" 2
341 1 14 LYS HA 1 14 LYS HG3 . . 4.120 2.813 2.502 3.671 . 0 0 "[ . 1 . 2]" 2
342 1 14 LYS HG3 1 19 GLY HA2 . . 4.390 3.835 3.268 4.389 . 0 0 "[ . 1 . 2]" 2
343 1 14 LYS HG3 1 21 VAL MG2 . . 4.100 2.421 1.860 3.953 . 0 0 "[ . 1 . 2]" 2
344 1 10 GLU H 1 10 GLU QB . . 3.470 2.583 2.255 3.263 . 0 0 "[ . 1 . 2]" 2
345 1 10 GLU H 1 10 GLU QG . . 4.560 3.319 1.973 4.251 . 0 0 "[ . 1 . 2]" 2
346 1 11 LYS H 1 11 LYS QG . . 4.480 3.212 2.012 4.129 . 0 0 "[ . 1 . 2]" 2
347 1 11 LYS HA 1 12 PRO QG . . 4.200 3.984 3.851 4.083 . 0 0 "[ . 1 . 2]" 2
348 1 11 LYS QG 1 12 PRO HD2 . . 4.590 2.973 1.981 4.695 0.105 17 0 "[ . 1 . 2]" 2
349 1 11 LYS QG 1 12 PRO HD3 . . 4.820 3.727 3.220 4.661 . 0 0 "[ . 1 . 2]" 2
350 1 12 PRO QB 1 13 TYR H . . 3.840 3.654 3.491 3.729 . 0 0 "[ . 1 . 2]" 2
351 1 12 PRO QB 1 13 TYR QD . . 4.720 3.588 2.791 4.036 . 0 0 "[ . 1 . 2]" 2
352 1 12 PRO QB 1 13 TYR QE . . 4.810 3.689 2.946 4.355 . 0 0 "[ . 1 . 2]" 2
353 1 12 PRO QG 1 13 TYR H . . 4.290 3.134 2.811 3.292 . 0 0 "[ . 1 . 2]" 2
354 1 12 PRO QG 1 13 TYR QD . . 4.250 2.330 2.131 2.594 . 0 0 "[ . 1 . 2]" 2
355 1 12 PRO QG 1 13 TYR QE . . 4.100 2.533 2.263 2.885 . 0 0 "[ . 1 . 2]" 2
356 1 13 TYR QD 1 25 ASN QB . . 4.830 3.493 3.039 4.183 . 0 0 "[ . 1 . 2]" 2
357 1 13 TYR QE 1 25 ASN QB . . 3.710 2.364 1.963 3.392 . 0 0 "[ . 1 . 2]" 2
358 1 14 LYS H 1 14 LYS QB . . 3.170 2.613 2.456 2.711 . 0 0 "[ . 1 . 2]" 2
359 1 14 LYS HA 1 14 LYS QG . . 3.550 2.507 2.203 2.837 . 0 0 "[ . 1 . 2]" 2
360 1 14 LYS QB 1 15 CYS H . . 4.030 3.673 3.291 3.919 . 0 0 "[ . 1 . 2]" 2
361 1 14 LYS QB 1 21 VAL MG2 . . 3.650 2.732 2.161 3.190 . 0 0 "[ . 1 . 2]" 2
362 1 14 LYS QE 1 14 LYS QG . . 3.370 2.173 2.066 2.407 . 0 0 "[ . 1 . 2]" 2
363 1 14 LYS QG 1 15 CYS H . . 3.700 2.615 1.931 3.230 . 0 0 "[ . 1 . 2]" 2
364 1 14 LYS QG 1 19 GLY H . . 5.210 4.590 4.238 5.210 . 0 0 "[ . 1 . 2]" 2
365 1 14 LYS QG 1 19 GLY HA2 . . 3.730 3.119 2.602 3.546 . 0 0 "[ . 1 . 2]" 2
366 1 14 LYS QG 1 19 GLY HA3 . . 4.810 4.379 3.680 4.732 . 0 0 "[ . 1 . 2]" 2
367 1 14 LYS QG 1 21 VAL MG2 . . 3.580 2.326 1.838 3.514 . 0 0 "[ . 1 . 2]" 2
368 1 15 CYS HB2 1 20 LYS QB . . 3.970 3.081 2.707 3.479 . 0 0 "[ . 1 . 2]" 2
369 1 17 GLU H 1 17 GLU QB . . 3.030 2.291 2.121 2.514 . 0 0 "[ . 1 . 2]" 2
370 1 17 GLU H 1 17 GLU QG . . 4.200 3.624 2.334 4.124 . 0 0 "[ . 1 . 2]" 2
371 1 17 GLU HA 1 17 GLU QG . . 3.510 2.589 2.158 3.048 . 0 0 "[ . 1 . 2]" 2
372 1 17 GLU QB 1 18 CYS H . . 3.260 2.432 2.030 2.850 . 0 0 "[ . 1 . 2]" 2
373 1 17 GLU QB 1 19 GLY H . . 4.720 4.194 3.921 4.470 . 0 0 "[ . 1 . 2]" 2
374 1 17 GLU QB 1 35 HIS QB . . 4.920 3.501 3.034 4.563 . 0 0 "[ . 1 . 2]" 2
375 1 17 GLU QB 1 35 HIS HD2 . . 4.230 2.653 2.167 3.307 . 0 0 "[ . 1 . 2]" 2
376 1 17 GLU QG 1 18 CYS H . . 4.570 4.065 3.125 4.503 . 0 0 "[ . 1 . 2]" 2
377 1 17 GLU QG 1 35 HIS QB . . 4.170 2.556 1.942 3.316 . 0 0 "[ . 1 . 2]" 2
378 1 17 GLU QG 1 35 HIS HD2 . . 4.920 3.238 2.572 3.660 . 0 0 "[ . 1 . 2]" 2
379 1 18 CYS H 1 18 CYS QB . . 3.470 2.935 2.780 3.088 . 0 0 "[ . 1 . 2]" 2
380 1 18 CYS QB 1 19 GLY H . . 4.020 3.352 3.235 3.455 . 0 0 "[ . 1 . 2]" 2
381 1 18 CYS QB 1 34 ILE MD . . 5.340 4.284 3.969 4.906 . 0 0 "[ . 1 . 2]" 2
382 1 18 CYS QB 1 35 HIS HE1 . . 3.110 2.316 1.989 2.853 . 0 0 "[ . 1 . 2]" 2
383 1 19 GLY H 1 20 LYS QB . . 5.340 3.677 3.563 3.817 . 0 0 "[ . 1 . 2]" 2
384 1 20 LYS H 1 20 LYS QB . . 3.000 2.272 2.134 2.682 . 0 0 "[ . 1 . 2]" 2
385 1 20 LYS H 1 20 LYS QG . . 4.520 3.889 2.955 4.186 . 0 0 "[ . 1 . 2]" 2
386 1 20 LYS HA 1 20 LYS QG . . 3.300 2.306 2.144 2.389 . 0 0 "[ . 1 . 2]" 2
387 1 20 LYS QB 1 21 VAL H . . 3.590 3.081 1.947 3.592 0.002 16 0 "[ . 1 . 2]" 2
388 1 20 LYS QB 1 22 PHE QE . . 3.570 2.279 1.988 2.685 . 0 0 "[ . 1 . 2]" 2
389 1 20 LYS QB 1 22 PHE HZ . . 3.900 2.548 2.051 3.152 . 0 0 "[ . 1 . 2]" 2
390 1 20 LYS QB 1 31 HIS HE1 . . 4.740 3.716 3.194 4.627 . 0 0 "[ . 1 . 2]" 2
391 1 20 LYS QG 1 21 VAL H . . 3.630 2.292 1.885 3.681 0.051 14 0 "[ . 1 . 2]" 2
392 1 20 LYS QG 1 22 PHE QE . . 4.620 3.175 2.546 4.347 . 0 0 "[ . 1 . 2]" 2
393 1 20 LYS QG 1 22 PHE HZ . . 4.220 2.774 1.983 4.046 . 0 0 "[ . 1 . 2]" 2
394 1 20 LYS QD 1 21 VAL H . . 4.940 4.092 2.777 4.857 . 0 0 "[ . 1 . 2]" 2
395 1 20 LYS QD 1 22 PHE HZ . . 4.110 2.979 1.989 3.825 . 0 0 "[ . 1 . 2]" 2
396 1 20 LYS QD 1 31 HIS HE1 . . 3.430 3.032 2.422 3.429 . 0 0 "[ . 1 . 2]" 2
397 1 22 PHE HB2 1 27 HIS QB . . 3.690 2.868 2.603 3.180 . 0 0 "[ . 1 . 2]" 2
398 1 22 PHE HB3 1 27 HIS QB . . 3.390 2.116 1.925 2.491 . 0 0 "[ . 1 . 2]" 2
399 1 22 PHE QD 1 27 HIS QB . . 3.130 2.329 1.974 2.868 . 0 0 "[ . 1 . 2]" 2
400 1 22 PHE QE 1 31 HIS QB . . 3.680 2.758 2.491 2.986 . 0 0 "[ . 1 . 2]" 2
401 1 22 PHE HZ 1 31 HIS QB . . 3.730 2.494 2.193 2.699 . 0 0 "[ . 1 . 2]" 2
402 1 24 GLN H 1 24 GLN QB . . 3.660 2.409 2.191 2.597 . 0 0 "[ . 1 . 2]" 2
403 1 24 GLN H 1 27 HIS QB . . 3.800 3.144 2.914 3.339 . 0 0 "[ . 1 . 2]" 2
404 1 24 GLN HA 1 24 GLN QE . . 4.850 3.955 2.357 4.801 . 0 0 "[ . 1 . 2]" 2
405 1 24 GLN QB 1 27 HIS H . . 4.460 2.933 2.770 3.191 . 0 0 "[ . 1 . 2]" 2
406 1 24 GLN QB 1 27 HIS QB . . 4.170 3.385 2.995 3.818 . 0 0 "[ . 1 . 2]" 2
407 1 24 GLN QB 1 27 HIS HD2 . . 4.600 2.897 2.173 3.597 . 0 0 "[ . 1 . 2]" 2
408 1 24 GLN QB 1 27 HIS HE1 . . 4.930 3.837 2.910 4.463 . 0 0 "[ . 1 . 2]" 2
409 1 24 GLN QG 1 27 HIS HD2 . . 4.920 4.398 2.558 4.917 . 0 0 "[ . 1 . 2]" 2
410 1 24 GLN QG 1 27 HIS HE1 . . 4.310 4.017 3.065 4.317 0.007 18 0 "[ . 1 . 2]" 2
411 1 25 ASN QD 1 29 THR MG . . 4.090 3.251 2.041 4.039 . 0 0 "[ . 1 . 2]" 2
412 1 27 HIS H 1 27 HIS QB . . 3.680 2.471 2.349 2.589 . 0 0 "[ . 1 . 2]" 2
413 1 27 HIS QB 1 28 LEU H . . 3.960 2.568 2.387 2.794 . 0 0 "[ . 1 . 2]" 2
414 1 28 LEU HA 1 31 HIS QB . . 3.720 2.531 2.201 2.873 . 0 0 "[ . 1 . 2]" 2
415 1 28 LEU MD1 1 31 HIS QB . . 3.910 3.079 2.863 3.324 . 0 0 "[ . 1 . 2]" 2
416 1 30 ASN H 1 30 ASN QB . . 3.360 2.244 2.155 2.423 . 0 0 "[ . 1 . 2]" 2
417 1 30 ASN H 1 31 HIS QB . . 5.030 4.195 3.954 4.429 . 0 0 "[ . 1 . 2]" 2
418 1 30 ASN HA 1 33 ARG QG . . 3.910 2.604 2.296 3.116 . 0 0 "[ . 1 . 2]" 2
419 1 30 ASN HA 1 33 ARG QD . . 4.270 3.206 2.302 4.270 0.000 11 0 "[ . 1 . 2]" 2
420 1 31 HIS H 1 31 HIS QB . . 2.780 2.219 2.171 2.260 . 0 0 "[ . 1 . 2]" 2
421 1 31 HIS HA 1 34 ILE QG . . 4.290 3.528 3.426 3.681 . 0 0 "[ . 1 . 2]" 2
422 1 31 HIS QB 1 31 HIS HD2 . . 3.380 2.690 2.628 2.734 . 0 0 "[ . 1 . 2]" 2
423 1 31 HIS QB 1 32 TRP H . . 3.490 2.477 2.245 2.861 . 0 0 "[ . 1 . 2]" 2
424 1 31 HIS QB 1 33 ARG H . . 5.340 4.523 4.399 4.836 . 0 0 "[ . 1 . 2]" 2
425 1 31 HIS QB 1 34 ILE MG . . 5.330 4.566 3.595 4.908 . 0 0 "[ . 1 . 2]" 2
426 1 31 HIS HE1 1 34 ILE QG . . 4.500 3.186 2.332 3.678 . 0 0 "[ . 1 . 2]" 2
427 1 32 TRP H 1 32 TRP QB . . 3.130 2.298 2.188 2.342 . 0 0 "[ . 1 . 2]" 2
428 1 32 TRP H 1 33 ARG QG . . 5.340 4.576 4.290 4.880 . 0 0 "[ . 1 . 2]" 2
429 1 32 TRP QB 1 32 TRP HE3 . . 3.650 2.401 2.386 2.415 . 0 0 "[ . 1 . 2]" 2
430 1 32 TRP QB 1 36 THR MG . . 4.570 2.992 2.425 3.893 . 0 0 "[ . 1 . 2]" 2
431 1 32 TRP HE3 1 35 HIS QB . . 4.340 3.635 3.401 4.132 . 0 0 "[ . 1 . 2]" 2
432 1 33 ARG H 1 33 ARG QG . . 3.200 2.317 2.022 2.587 . 0 0 "[ . 1 . 2]" 2
433 1 33 ARG H 1 33 ARG QD . . 4.650 3.947 3.423 4.456 . 0 0 "[ . 1 . 2]" 2
434 1 33 ARG HA 1 33 ARG QG . . 3.300 2.364 2.175 2.639 . 0 0 "[ . 1 . 2]" 2
435 1 33 ARG HA 1 33 ARG QD . . 4.520 3.879 2.475 4.184 . 0 0 "[ . 1 . 2]" 2
436 1 33 ARG HB2 1 33 ARG QD . . 3.220 2.622 2.280 3.240 0.020 2 0 "[ . 1 . 2]" 2
437 1 33 ARG HB3 1 33 ARG QD . . 3.550 2.520 2.067 3.089 . 0 0 "[ . 1 . 2]" 2
438 1 34 ILE H 1 34 ILE QG . . 3.420 2.364 2.168 2.613 . 0 0 "[ . 1 . 2]" 2
439 1 34 ILE QG 1 35 HIS H . . 4.180 2.147 1.896 2.598 . 0 0 "[ . 1 . 2]" 2
440 1 34 ILE MD 1 35 HIS QB . . 5.340 3.971 3.211 4.657 . 0 0 "[ . 1 . 2]" 2
441 1 35 HIS H 1 35 HIS QB . . 3.440 2.305 2.215 2.376 . 0 0 "[ . 1 . 2]" 2
442 1 35 HIS QB 1 35 HIS HD2 . . 3.420 2.638 2.625 2.673 . 0 0 "[ . 1 . 2]" 2
443 1 35 HIS QB 1 36 THR H . . 3.820 2.693 2.597 2.894 . 0 0 "[ . 1 . 2]" 2
444 1 35 HIS QB 1 36 THR MG . . 4.120 3.122 2.691 3.311 . 0 0 "[ . 1 . 2]" 2
445 1 39 LYS H 1 39 LYS QB . . 3.530 2.545 2.104 3.194 . 0 0 "[ . 1 . 2]" 2
446 1 39 LYS H 1 40 PRO QG . . 4.510 4.278 3.869 4.510 . 0 0 "[ . 1 . 2]" 2
447 1 39 LYS HA 1 40 PRO QD . . 3.550 2.738 2.228 3.468 . 0 0 "[ . 1 . 2]" 2
448 1 39 LYS QB 1 40 PRO QD . . 3.960 3.025 1.820 3.800 . 0 0 "[ . 1 . 2]" 2
449 1 39 LYS QG 1 40 PRO QD . . 5.120 3.282 1.965 4.173 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Friday, May 3, 2024 12:29:38 PM GMT (wattos1)