Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508497 | 2ep1 RC | 11169 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ep1
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 29
_Distance_constraint_stats_list.Viol_total 0.525
_Distance_constraint_stats_list.Viol_max 0.005
_Distance_constraint_stats_list.Viol_rms 0.0005
_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 0.017 0.005 18 0 "[ . 1 . 2]"
1 18 CYS 0.015 0.005 18 0 "[ . 1 . 2]"
1 31 HIS 0.005 0.002 15 0 "[ . 1 . 2]"
1 35 HIS 0.004 0.001 15 0 "[ . 1 . 2]"
2 1 ZN 0.011 0.002 16 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 2.357 2.204 2.391 0.001 7 0 "[ . 1 . 2]" 1
2 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.268 3.248 3.324 0.002 16 0 "[ . 1 . 2]" 1
3 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.217 2.189 2.291 0.001 15 0 "[ . 1 . 2]" 1
4 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.477 3.378 3.511 0.001 9 0 "[ . 1 . 2]" 1
5 1 31 HIS NE2 2 1 ZN ZN . . 2.100 1.951 1.899 2.010 0.001 15 0 "[ . 1 . 2]" 1
6 1 35 HIS NE2 2 1 ZN ZN . . 2.100 1.942 1.899 2.098 0.001 15 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.897 3.596 3.965 0.005 18 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.394 3.319 3.539 0.001 15 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.443 3.321 3.678 . 0 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.376 3.318 3.538 0.002 15 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.373 3.319 3.519 0.001 12 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.255 2.999 3.578 0.001 13 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 585
_Distance_constraint_stats_list.Viol_count 208
_Distance_constraint_stats_list.Viol_total 33.705
_Distance_constraint_stats_list.Viol_max 0.049
_Distance_constraint_stats_list.Viol_rms 0.0017
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0081
_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 0.007 0.004 14 0 "[ . 1 . 2]"
1 11 LYS 0.007 0.004 14 0 "[ . 1 . 2]"
1 12 PRO 0.197 0.035 13 0 "[ . 1 . 2]"
1 13 TYR 0.357 0.035 13 0 "[ . 1 . 2]"
1 14 GLU 0.126 0.031 15 0 "[ . 1 . 2]"
1 15 CYS 0.213 0.029 15 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASP 0.512 0.049 8 0 "[ . 1 . 2]"
1 18 CYS 0.001 0.001 19 0 "[ . 1 . 2]"
1 19 GLY 0.029 0.006 7 0 "[ . 1 . 2]"
1 20 LYS 0.083 0.018 15 0 "[ . 1 . 2]"
1 21 SER 0.063 0.015 15 0 "[ . 1 . 2]"
1 22 PHE 0.062 0.031 15 0 "[ . 1 . 2]"
1 23 ILE 0.266 0.030 8 0 "[ . 1 . 2]"
1 24 LYS 0.062 0.019 15 0 "[ . 1 . 2]"
1 25 LYS 0.022 0.010 15 0 "[ . 1 . 2]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLN 0.145 0.019 15 0 "[ . 1 . 2]"
1 28 LEU 0.027 0.006 13 0 "[ . 1 . 2]"
1 29 HIS 0.010 0.003 12 0 "[ . 1 . 2]"
1 30 VAL 0.010 0.005 19 0 "[ . 1 . 2]"
1 31 HIS 0.135 0.017 15 0 "[ . 1 . 2]"
1 32 GLN 0.009 0.006 8 0 "[ . 1 . 2]"
1 33 ARG 0.032 0.020 19 0 "[ . 1 . 2]"
1 34 ILE 0.039 0.027 5 0 "[ . 1 . 2]"
1 35 HIS 0.056 0.017 15 0 "[ . 1 . 2]"
1 36 THR 0.095 0.030 10 0 "[ . 1 . 2]"
1 37 GLY 0.084 0.030 10 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASN 0.023 0.020 6 0 "[ . 1 . 2]"
1 40 PRO 0.023 0.020 6 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 13 TYR QD 1 14 GLU H . . 5.020 4.941 4.890 4.977 . 0 0 "[ . 1 . 2]" 2
2 1 14 GLU H 1 21 SER HA . . 5.010 4.347 4.185 4.478 . 0 0 "[ . 1 . 2]" 2
3 1 13 TYR HA 1 14 GLU H . . 2.840 2.702 2.616 2.783 . 0 0 "[ . 1 . 2]" 2
4 1 13 TYR HB3 1 14 GLU H . . 4.620 4.434 4.388 4.457 . 0 0 "[ . 1 . 2]" 2
5 1 13 TYR HB2 1 14 GLU H . . 4.480 4.311 4.245 4.386 . 0 0 "[ . 1 . 2]" 2
6 1 14 GLU H 1 14 GLU HG3 . . 4.280 4.247 4.164 4.287 0.007 12 0 "[ . 1 . 2]" 2
7 1 14 GLU H 1 14 GLU QB . . 3.200 2.191 2.155 2.215 . 0 0 "[ . 1 . 2]" 2
8 1 14 GLU H 1 28 LEU MD2 . . 4.770 4.599 4.401 4.772 0.002 9 0 "[ . 1 . 2]" 2
9 1 13 TYR H 1 14 GLU H . . 4.820 3.020 2.912 3.117 . 0 0 "[ . 1 . 2]" 2
10 1 23 ILE H 1 24 LYS H . . 3.480 2.312 2.144 2.437 . 0 0 "[ . 1 . 2]" 2
11 1 22 PHE HB3 1 24 LYS H . . 3.630 3.122 2.773 3.316 . 0 0 "[ . 1 . 2]" 2
12 1 24 LYS H 1 27 GLN HB2 . . 3.770 3.053 2.800 3.442 . 0 0 "[ . 1 . 2]" 2
13 1 24 LYS H 1 27 GLN HG2 . . 4.510 3.868 2.891 4.517 0.007 16 0 "[ . 1 . 2]" 2
14 1 24 LYS H 1 27 GLN HG3 . . 4.510 3.387 2.787 4.511 0.001 10 0 "[ . 1 . 2]" 2
15 1 23 ILE HB 1 24 LYS H . . 3.380 2.653 2.510 2.878 . 0 0 "[ . 1 . 2]" 2
16 1 24 LYS H 1 24 LYS HB2 . . 3.400 2.426 2.299 2.616 . 0 0 "[ . 1 . 2]" 2
17 1 23 ILE MG 1 24 LYS H . . 4.010 3.508 3.326 3.673 . 0 0 "[ . 1 . 2]" 2
18 1 34 ILE H 1 35 HIS H . . 3.410 2.648 2.279 2.810 . 0 0 "[ . 1 . 2]" 2
19 1 33 ARG HB2 1 34 ILE H . . 4.370 2.569 2.305 3.801 . 0 0 "[ . 1 . 2]" 2
20 1 33 ARG HB3 1 34 ILE H . . 4.370 3.509 3.197 4.090 . 0 0 "[ . 1 . 2]" 2
21 1 34 ILE H 1 34 ILE HB . . 3.640 3.613 3.592 3.667 0.027 5 0 "[ . 1 . 2]" 2
22 1 34 ILE H 1 34 ILE HG13 . . 3.710 3.145 2.822 3.555 . 0 0 "[ . 1 . 2]" 2
23 1 34 ILE H 1 34 ILE HG12 . . 3.710 2.409 2.295 2.495 . 0 0 "[ . 1 . 2]" 2
24 1 21 SER H 1 22 PHE H . . 4.850 4.458 4.301 4.571 . 0 0 "[ . 1 . 2]" 2
25 1 20 LYS HA 1 21 SER H . . 2.760 2.320 2.142 2.539 . 0 0 "[ . 1 . 2]" 2
26 1 21 SER H 1 21 SER QB . . 3.390 2.840 2.360 3.221 . 0 0 "[ . 1 . 2]" 2
27 1 20 LYS HG2 1 21 SER H . . 4.700 3.368 2.047 4.329 . 0 0 "[ . 1 . 2]" 2
28 1 19 GLY H 1 20 LYS H . . 3.680 2.149 1.861 2.323 . 0 0 "[ . 1 . 2]" 2
29 1 15 CYS HB3 1 20 LYS H . . 3.390 2.935 2.247 3.139 . 0 0 "[ . 1 . 2]" 2
30 1 20 LYS H 1 20 LYS HB3 . . 3.580 3.341 2.855 3.571 . 0 0 "[ . 1 . 2]" 2
31 1 15 CYS H 1 20 LYS H . . 4.410 4.367 3.666 4.428 0.018 15 0 "[ . 1 . 2]" 2
32 1 11 LYS H 1 12 PRO HD3 . . 5.190 4.953 4.719 5.077 . 0 0 "[ . 1 . 2]" 2
33 1 10 GLU HA 1 11 LYS H . . 3.190 2.343 2.138 3.194 0.004 14 0 "[ . 1 . 2]" 2
34 1 11 LYS H 1 11 LYS QB . . 3.440 2.459 2.178 2.757 . 0 0 "[ . 1 . 2]" 2
35 1 16 SER H 1 17 ASP H . . 4.540 2.961 2.256 3.184 . 0 0 "[ . 1 . 2]" 2
36 1 31 HIS HD2 1 32 GLN H . . 4.200 2.862 2.575 3.178 . 0 0 "[ . 1 . 2]" 2
37 1 29 HIS HA 1 32 GLN H . . 4.180 3.839 3.512 3.974 . 0 0 "[ . 1 . 2]" 2
38 1 31 HIS HB3 1 32 GLN H . . 4.140 2.323 2.189 2.453 . 0 0 "[ . 1 . 2]" 2
39 1 15 CYS HB2 1 17 ASP H . . 4.530 4.418 4.330 4.535 0.005 20 0 "[ . 1 . 2]" 2
40 1 32 GLN H 1 32 GLN QG . . 3.180 2.369 2.020 2.562 . 0 0 "[ . 1 . 2]" 2
41 1 32 GLN H 1 32 GLN HB2 . . 3.780 2.495 2.373 2.809 . 0 0 "[ . 1 . 2]" 2
42 1 10 GLU HG2 1 11 LYS H . . 5.500 4.510 3.559 5.503 0.003 14 0 "[ . 1 . 2]" 2
43 1 10 GLU HG3 1 11 LYS H . . 5.500 4.327 2.957 5.497 . 0 0 "[ . 1 . 2]" 2
44 1 32 GLN H 1 32 GLN HB3 . . 3.780 3.597 3.582 3.619 . 0 0 "[ . 1 . 2]" 2
45 1 17 ASP H 1 18 CYS H . . 3.200 1.926 1.835 2.360 . 0 0 "[ . 1 . 2]" 2
46 1 18 CYS H 1 19 GLY H . . 2.860 2.039 1.985 2.092 . 0 0 "[ . 1 . 2]" 2
47 1 18 CYS H 1 19 GLY HA3 . . 4.700 4.648 4.600 4.701 0.001 19 0 "[ . 1 . 2]" 2
48 1 15 CYS HB3 1 17 ASP H . . 4.730 3.149 3.015 3.581 . 0 0 "[ . 1 . 2]" 2
49 1 15 CYS HB3 1 18 CYS H . . 3.520 2.828 2.700 2.988 . 0 0 "[ . 1 . 2]" 2
50 1 18 CYS H 1 18 CYS HB3 . . 3.600 3.192 3.145 3.227 . 0 0 "[ . 1 . 2]" 2
51 1 17 ASP HB3 1 18 CYS H . . 3.750 3.340 3.279 3.447 . 0 0 "[ . 1 . 2]" 2
52 1 17 ASP H 1 17 ASP HB3 . . 3.590 3.613 3.551 3.639 0.049 8 0 "[ . 1 . 2]" 2
53 1 17 ASP HB2 1 18 CYS H . . 3.570 2.871 2.757 2.933 . 0 0 "[ . 1 . 2]" 2
54 1 28 LEU MD1 1 32 GLN H . . 4.420 3.187 2.895 3.624 . 0 0 "[ . 1 . 2]" 2
55 1 18 CYS H 1 20 LYS H . . 4.260 3.943 3.496 4.154 . 0 0 "[ . 1 . 2]" 2
56 1 18 CYS H 1 35 HIS HE1 . . 4.720 4.236 3.996 4.684 . 0 0 "[ . 1 . 2]" 2
57 1 28 LEU H 1 29 HIS QB . . 4.440 4.404 4.323 4.443 0.003 12 0 "[ . 1 . 2]" 2
58 1 28 LEU H 1 29 HIS H . . 3.340 2.703 2.583 2.815 . 0 0 "[ . 1 . 2]" 2
59 1 27 GLN H 1 28 LEU H . . 3.280 2.900 2.712 3.004 . 0 0 "[ . 1 . 2]" 2
60 1 22 PHE HB3 1 28 LEU H . . 4.450 3.682 3.321 4.121 . 0 0 "[ . 1 . 2]" 2
61 1 25 LYS HA 1 28 LEU H . . 3.740 3.505 3.368 3.681 . 0 0 "[ . 1 . 2]" 2
62 1 27 GLN HB2 1 28 LEU H . . 3.580 2.591 2.424 2.729 . 0 0 "[ . 1 . 2]" 2
63 1 28 LEU H 1 28 LEU HB3 . . 3.130 2.383 2.316 2.463 . 0 0 "[ . 1 . 2]" 2
64 1 28 LEU H 1 28 LEU HG . . 4.450 4.397 4.335 4.456 0.006 13 0 "[ . 1 . 2]" 2
65 1 28 LEU H 1 28 LEU HB2 . . 3.360 2.653 2.557 2.751 . 0 0 "[ . 1 . 2]" 2
66 1 28 LEU H 1 28 LEU MD2 . . 4.350 4.200 4.133 4.232 . 0 0 "[ . 1 . 2]" 2
67 1 28 LEU H 1 30 VAL H . . 4.820 4.297 4.121 4.610 . 0 0 "[ . 1 . 2]" 2
68 1 15 CYS H 1 19 GLY H . . 4.800 4.299 4.087 4.532 . 0 0 "[ . 1 . 2]" 2
69 1 15 CYS HA 1 19 GLY H . . 5.020 4.877 4.666 5.026 0.006 7 0 "[ . 1 . 2]" 2
70 1 15 CYS HB3 1 19 GLY H . . 3.630 2.180 1.916 2.547 . 0 0 "[ . 1 . 2]" 2
71 1 15 CYS HB2 1 19 GLY H . . 4.520 3.866 3.620 4.289 . 0 0 "[ . 1 . 2]" 2
72 1 17 ASP HB2 1 19 GLY H . . 4.800 4.685 4.489 4.740 . 0 0 "[ . 1 . 2]" 2
73 1 17 ASP H 1 19 GLY H . . 4.260 3.272 3.039 3.806 . 0 0 "[ . 1 . 2]" 2
74 1 17 ASP HB3 1 19 GLY H . . 5.350 5.306 5.234 5.351 0.001 13 0 "[ . 1 . 2]" 2
75 1 15 CYS HA 1 32 GLN HE22 . . 4.670 3.826 3.455 4.044 . 0 0 "[ . 1 . 2]" 2
76 1 32 GLN HE22 1 32 GLN QG . . 3.450 3.223 3.216 3.248 . 0 0 "[ . 1 . 2]" 2
77 1 28 LEU MD1 1 32 GLN HE22 . . 4.330 3.876 3.402 4.232 . 0 0 "[ . 1 . 2]" 2
78 1 28 LEU MD2 1 32 GLN HE21 . . 4.350 3.651 3.382 4.050 . 0 0 "[ . 1 . 2]" 2
79 1 31 HIS H 1 32 GLN H . . 3.490 2.776 2.408 2.905 . 0 0 "[ . 1 . 2]" 2
80 1 31 HIS H 1 31 HIS HB2 . . 3.180 2.816 2.696 3.184 0.004 19 0 "[ . 1 . 2]" 2
81 1 30 VAL HB 1 31 HIS H . . 3.380 2.732 2.412 3.299 . 0 0 "[ . 1 . 2]" 2
82 1 27 GLN HA 1 31 HIS H . . 4.910 4.618 4.325 4.912 0.002 19 0 "[ . 1 . 2]" 2
83 1 31 HIS H 1 31 HIS HB3 . . 3.180 2.317 2.249 2.387 . 0 0 "[ . 1 . 2]" 2
84 1 38 GLU H 1 38 GLU HG2 . . 5.500 3.859 2.244 5.306 . 0 0 "[ . 1 . 2]" 2
85 1 38 GLU H 1 38 GLU HG3 . . 5.500 3.838 2.476 4.777 . 0 0 "[ . 1 . 2]" 2
86 1 30 VAL MG2 1 31 HIS H . . 4.110 3.881 3.782 4.046 . 0 0 "[ . 1 . 2]" 2
87 1 30 VAL MG1 1 31 HIS H . . 4.020 3.550 3.277 3.914 . 0 0 "[ . 1 . 2]" 2
88 1 27 GLN H 1 29 HIS H . . 4.680 4.461 4.162 4.682 0.002 10 0 "[ . 1 . 2]" 2
89 1 24 LYS H 1 27 GLN H . . 4.730 4.413 4.287 4.576 . 0 0 "[ . 1 . 2]" 2
90 1 22 PHE QD 1 23 ILE H . . 4.460 4.052 3.834 4.258 . 0 0 "[ . 1 . 2]" 2
91 1 22 PHE QE 1 31 HIS H . . 5.430 4.948 4.586 5.258 . 0 0 "[ . 1 . 2]" 2
92 1 22 PHE HB2 1 23 ILE H . . 4.130 3.629 3.224 3.801 . 0 0 "[ . 1 . 2]" 2
93 1 27 GLN H 1 27 GLN HB2 . . 3.200 2.390 2.208 2.629 . 0 0 "[ . 1 . 2]" 2
94 1 27 GLN H 1 27 GLN HG3 . . 3.970 3.646 2.209 3.922 . 0 0 "[ . 1 . 2]" 2
95 1 23 ILE H 1 23 ILE HB . . 3.360 2.512 2.481 2.615 . 0 0 "[ . 1 . 2]" 2
96 1 24 LYS HB3 1 27 GLN H . . 3.740 3.282 2.821 3.684 . 0 0 "[ . 1 . 2]" 2
97 1 23 ILE H 1 23 ILE HG13 . . 4.060 2.775 2.233 3.957 . 0 0 "[ . 1 . 2]" 2
98 1 24 LYS HB2 1 27 GLN H . . 3.610 3.029 2.727 3.335 . 0 0 "[ . 1 . 2]" 2
99 1 23 ILE H 1 23 ILE MG . . 3.970 3.786 3.773 3.831 . 0 0 "[ . 1 . 2]" 2
100 1 22 PHE HB3 1 23 ILE H . . 3.750 2.631 2.172 2.869 . 0 0 "[ . 1 . 2]" 2
101 1 23 ILE H 1 23 ILE MD . . 4.560 3.321 2.011 3.694 . 0 0 "[ . 1 . 2]" 2
102 1 13 TYR QD 1 25 LYS H . . 5.180 4.743 4.188 5.134 . 0 0 "[ . 1 . 2]" 2
103 1 13 TYR QE 1 25 LYS H . . 4.280 3.859 3.336 4.286 0.006 15 0 "[ . 1 . 2]" 2
104 1 24 LYS QG 1 25 LYS H . . 4.710 3.998 3.379 4.495 . 0 0 "[ . 1 . 2]" 2
105 1 25 LYS H 1 25 LYS QD . . 5.170 4.301 4.109 4.632 . 0 0 "[ . 1 . 2]" 2
106 1 24 LYS HB3 1 25 LYS H . . 4.200 2.722 2.272 3.221 . 0 0 "[ . 1 . 2]" 2
107 1 25 LYS H 1 25 LYS HB2 . . 3.810 2.329 2.176 2.617 . 0 0 "[ . 1 . 2]" 2
108 1 25 LYS H 1 25 LYS HB3 . . 3.810 2.983 2.427 3.561 . 0 0 "[ . 1 . 2]" 2
109 1 13 TYR H 1 13 TYR QD . . 3.460 2.966 2.752 3.103 . 0 0 "[ . 1 . 2]" 2
110 1 13 TYR H 1 13 TYR QE . . 4.740 4.363 4.244 4.453 . 0 0 "[ . 1 . 2]" 2
111 1 12 PRO HA 1 13 TYR H . . 3.020 2.724 2.711 2.731 . 0 0 "[ . 1 . 2]" 2
112 1 33 ARG HA 1 36 THR H . . 4.700 3.704 3.196 4.682 . 0 0 "[ . 1 . 2]" 2
113 1 34 ILE HA 1 36 THR H . . 5.500 4.545 3.361 5.312 . 0 0 "[ . 1 . 2]" 2
114 1 35 HIS HB3 1 36 THR H . . 4.680 3.537 2.817 4.441 . 0 0 "[ . 1 . 2]" 2
115 1 13 TYR H 1 13 TYR HB2 . . 3.500 3.425 3.373 3.450 . 0 0 "[ . 1 . 2]" 2
116 1 12 PRO HB3 1 13 TYR H . . 4.030 3.146 3.141 3.155 . 0 0 "[ . 1 . 2]" 2
117 1 12 PRO HB2 1 13 TYR H . . 3.900 1.901 1.887 1.926 . 0 0 "[ . 1 . 2]" 2
118 1 36 THR H 1 36 THR MG . . 3.910 2.368 1.819 3.259 . 0 0 "[ . 1 . 2]" 2
119 1 13 TYR H 1 28 LEU MD2 . . 5.050 4.940 4.717 5.054 0.004 18 0 "[ . 1 . 2]" 2
120 1 14 GLU H 1 15 CYS H . . 4.500 4.476 4.417 4.529 0.029 15 0 "[ . 1 . 2]" 2
121 1 15 CYS H 1 18 CYS H . . 5.500 5.376 5.250 5.492 . 0 0 "[ . 1 . 2]" 2
122 1 15 CYS H 1 22 PHE QD . . 4.700 3.881 3.497 4.285 . 0 0 "[ . 1 . 2]" 2
123 1 15 CYS H 1 22 PHE QE . . 4.480 3.741 3.289 4.151 . 0 0 "[ . 1 . 2]" 2
124 1 15 CYS H 1 21 SER HA . . 3.820 2.790 2.443 3.088 . 0 0 "[ . 1 . 2]" 2
125 1 15 CYS H 1 15 CYS HB3 . . 3.150 2.763 2.602 2.856 . 0 0 "[ . 1 . 2]" 2
126 1 15 CYS H 1 15 CYS HB2 . . 3.240 2.316 2.241 2.455 . 0 0 "[ . 1 . 2]" 2
127 1 14 GLU HG2 1 15 CYS H . . 4.080 3.244 2.858 3.787 . 0 0 "[ . 1 . 2]" 2
128 1 15 CYS H 1 28 LEU MD1 . . 4.040 3.314 2.772 3.639 . 0 0 "[ . 1 . 2]" 2
129 1 15 CYS H 1 32 GLN HE21 . . 5.500 5.397 5.183 5.502 0.002 18 0 "[ . 1 . 2]" 2
130 1 15 CYS H 1 22 PHE H . . 4.900 4.700 4.431 4.904 0.004 14 0 "[ . 1 . 2]" 2
131 1 13 TYR H 1 22 PHE H . . 4.860 4.783 4.630 4.865 0.005 7 0 "[ . 1 . 2]" 2
132 1 22 PHE H 1 22 PHE QD . . 3.310 2.951 2.600 3.175 . 0 0 "[ . 1 . 2]" 2
133 1 22 PHE H 1 22 PHE QE . . 5.290 4.871 4.639 5.058 . 0 0 "[ . 1 . 2]" 2
134 1 21 SER HA 1 22 PHE H . . 2.930 2.354 2.198 2.449 . 0 0 "[ . 1 . 2]" 2
135 1 21 SER QB 1 22 PHE H . . 3.290 2.571 2.301 3.260 . 0 0 "[ . 1 . 2]" 2
136 1 13 TYR HB2 1 22 PHE H . . 4.170 2.658 2.418 2.828 . 0 0 "[ . 1 . 2]" 2
137 1 22 PHE H 1 22 PHE HB2 . . 3.490 2.940 2.798 3.054 . 0 0 "[ . 1 . 2]" 2
138 1 14 GLU HG3 1 22 PHE H . . 5.500 5.295 4.930 5.531 0.031 15 0 "[ . 1 . 2]" 2
139 1 36 THR H 1 37 GLY H . . 4.380 3.791 2.572 4.410 0.030 10 0 "[ . 1 . 2]" 2
140 1 36 THR HB 1 37 GLY H . . 4.830 3.844 1.950 4.638 . 0 0 "[ . 1 . 2]" 2
141 1 30 VAL H 1 32 GLN H . . 4.940 4.643 4.454 4.873 . 0 0 "[ . 1 . 2]" 2
142 1 29 HIS H 1 30 VAL H . . 3.570 2.981 2.802 3.102 . 0 0 "[ . 1 . 2]" 2
143 1 30 VAL H 1 31 HIS H . . 3.750 2.703 2.532 2.855 . 0 0 "[ . 1 . 2]" 2
144 1 26 SER HA 1 30 VAL H . . 4.220 3.828 3.541 4.077 . 0 0 "[ . 1 . 2]" 2
145 1 29 HIS QB 1 30 VAL H . . 3.310 2.464 2.290 2.627 . 0 0 "[ . 1 . 2]" 2
146 1 30 VAL H 1 30 VAL HB . . 3.090 2.548 2.477 2.626 . 0 0 "[ . 1 . 2]" 2
147 1 30 VAL H 1 30 VAL MG1 . . 3.970 3.763 3.757 3.768 . 0 0 "[ . 1 . 2]" 2
148 1 32 GLN H 1 33 ARG H . . 3.470 2.913 2.823 2.953 . 0 0 "[ . 1 . 2]" 2
149 1 33 ARG H 1 34 ILE H . . 3.480 2.945 2.778 3.146 . 0 0 "[ . 1 . 2]" 2
150 1 33 ARG H 1 33 ARG QD . . 4.270 4.024 3.753 4.270 . 0 0 "[ . 1 . 2]" 2
151 1 32 GLN QG 1 33 ARG H . . 4.610 4.288 3.915 4.418 . 0 0 "[ . 1 . 2]" 2
152 1 32 GLN HB2 1 33 ARG H . . 4.650 2.992 2.888 3.110 . 0 0 "[ . 1 . 2]" 2
153 1 32 GLN HB3 1 33 ARG H . . 4.650 3.741 3.555 4.052 . 0 0 "[ . 1 . 2]" 2
154 1 33 ARG H 1 33 ARG HG2 . . 3.650 2.900 2.053 3.296 . 0 0 "[ . 1 . 2]" 2
155 1 33 ARG H 1 33 ARG HG3 . . 3.650 2.476 2.062 3.363 . 0 0 "[ . 1 . 2]" 2
156 1 33 ARG H 1 34 ILE MG . . 4.820 4.319 4.100 4.579 . 0 0 "[ . 1 . 2]" 2
157 1 26 SER HA 1 29 HIS H . . 3.990 3.522 3.346 3.730 . 0 0 "[ . 1 . 2]" 2
158 1 29 HIS H 1 29 HIS QB . . 3.010 2.309 2.206 2.415 . 0 0 "[ . 1 . 2]" 2
159 1 25 LYS HA 1 29 HIS H . . 4.590 4.110 3.771 4.412 . 0 0 "[ . 1 . 2]" 2
160 1 29 HIS H 1 32 GLN QG . . 5.070 4.584 3.833 5.012 . 0 0 "[ . 1 . 2]" 2
161 1 28 LEU HB3 1 29 HIS H . . 3.410 2.379 2.185 2.592 . 0 0 "[ . 1 . 2]" 2
162 1 28 LEU HG 1 29 HIS H . . 4.210 3.346 2.992 3.635 . 0 0 "[ . 1 . 2]" 2
163 1 28 LEU HB2 1 29 HIS H . . 4.000 3.798 3.664 3.933 . 0 0 "[ . 1 . 2]" 2
164 1 35 HIS H 1 36 THR MG . . 4.910 3.945 3.337 4.456 . 0 0 "[ . 1 . 2]" 2
165 1 35 HIS H 1 36 THR H . . 3.550 2.643 2.318 3.076 . 0 0 "[ . 1 . 2]" 2
166 1 35 HIS H 1 35 HIS HD2 . . 4.350 3.743 3.459 3.991 . 0 0 "[ . 1 . 2]" 2
167 1 35 HIS H 1 35 HIS HB3 . . 3.810 3.584 3.534 3.632 . 0 0 "[ . 1 . 2]" 2
168 1 34 ILE HB 1 35 HIS H . . 4.320 3.970 3.847 4.051 . 0 0 "[ . 1 . 2]" 2
169 1 34 ILE HG13 1 35 HIS H . . 4.670 2.221 1.991 2.433 . 0 0 "[ . 1 . 2]" 2
170 1 34 ILE HG12 1 35 HIS H . . 4.670 2.942 2.435 3.235 . 0 0 "[ . 1 . 2]" 2
171 1 34 ILE MG 1 35 HIS H . . 4.350 3.882 3.741 3.991 . 0 0 "[ . 1 . 2]" 2
172 1 17 ASP H 1 17 ASP HB2 . . 3.190 2.511 2.271 2.581 . 0 0 "[ . 1 . 2]" 2
173 1 20 LYS H 1 20 LYS HB2 . . 3.580 2.238 2.165 2.320 . 0 0 "[ . 1 . 2]" 2
174 1 28 LEU MD1 1 29 HIS H . . 4.500 4.310 4.147 4.484 . 0 0 "[ . 1 . 2]" 2
175 1 22 PHE QE 1 31 HIS HE1 . . 5.060 4.955 4.618 5.066 0.006 15 0 "[ . 1 . 2]" 2
176 1 20 LYS HD2 1 31 HIS HE1 . . 4.080 2.618 1.999 3.641 . 0 0 "[ . 1 . 2]" 2
177 1 31 HIS HE1 1 34 ILE HG13 . . 4.900 4.725 4.362 4.904 0.004 19 0 "[ . 1 . 2]" 2
178 1 31 HIS HE1 1 34 ILE MD . . 3.340 2.452 2.214 2.739 . 0 0 "[ . 1 . 2]" 2
179 1 31 HIS HE1 1 34 ILE MG . . 4.840 4.620 4.275 4.840 . 0 0 "[ . 1 . 2]" 2
180 1 24 LYS H 1 24 LYS QG . . 3.900 3.001 2.502 3.793 . 0 0 "[ . 1 . 2]" 2
181 1 24 LYS QG 1 27 GLN H . . 4.970 4.752 4.455 4.989 0.019 15 0 "[ . 1 . 2]" 2
182 1 24 LYS QG 1 27 GLN HB2 . . 5.500 4.836 4.254 5.461 . 0 0 "[ . 1 . 2]" 2
183 1 23 ILE MG 1 24 LYS QG . . 3.670 2.926 2.379 3.483 . 0 0 "[ . 1 . 2]" 2
184 1 11 LYS HA 1 11 LYS HG2 . . 4.140 2.916 2.348 3.572 . 0 0 "[ . 1 . 2]" 2
185 1 11 LYS HA 1 11 LYS HG3 . . 4.140 2.749 2.181 3.872 . 0 0 "[ . 1 . 2]" 2
186 1 11 LYS HG2 1 21 SER QB . . 5.500 4.429 3.977 5.441 . 0 0 "[ . 1 . 2]" 2
187 1 11 LYS HG3 1 21 SER QB . . 5.500 4.340 3.593 5.317 . 0 0 "[ . 1 . 2]" 2
188 1 25 LYS QD 1 29 HIS HE1 . . 4.250 3.044 1.994 4.150 . 0 0 "[ . 1 . 2]" 2
189 1 18 CYS H 1 19 GLY HA2 . . 4.420 4.128 4.062 4.189 . 0 0 "[ . 1 . 2]" 2
190 1 14 GLU HG3 1 19 GLY HA3 . . 5.500 5.322 4.990 5.506 0.006 7 0 "[ . 1 . 2]" 2
191 1 15 CYS HB3 1 19 GLY HA2 . . 4.880 3.890 3.286 4.277 . 0 0 "[ . 1 . 2]" 2
192 1 14 GLU HG2 1 19 GLY HA2 . . 4.390 3.147 2.825 3.341 . 0 0 "[ . 1 . 2]" 2
193 1 22 PHE H 1 28 LEU MD1 . . 4.750 4.532 4.176 4.730 . 0 0 "[ . 1 . 2]" 2
194 1 28 LEU MD1 1 32 GLN HE21 . . 3.860 2.520 2.134 2.713 . 0 0 "[ . 1 . 2]" 2
195 1 22 PHE QE 1 28 LEU MD1 . . 3.590 2.293 1.914 2.478 . 0 0 "[ . 1 . 2]" 2
196 1 15 CYS HA 1 28 LEU MD1 . . 3.330 2.495 2.103 2.897 . 0 0 "[ . 1 . 2]" 2
197 1 28 LEU MD1 1 32 GLN QG . . 3.550 2.188 1.821 2.424 . 0 0 "[ . 1 . 2]" 2
198 1 28 LEU MD1 1 32 GLN HB2 . . 5.080 4.206 3.843 4.801 . 0 0 "[ . 1 . 2]" 2
199 1 30 VAL H 1 30 VAL MG2 . . 3.130 2.161 2.006 2.402 . 0 0 "[ . 1 . 2]" 2
200 1 26 SER HA 1 30 VAL MG2 . . 3.900 3.650 3.327 3.891 . 0 0 "[ . 1 . 2]" 2
201 1 28 LEU MD1 1 32 GLN HA . . 4.950 4.127 3.932 4.448 . 0 0 "[ . 1 . 2]" 2
202 1 30 VAL HA 1 30 VAL MG2 . . 3.050 2.332 2.244 2.452 . 0 0 "[ . 1 . 2]" 2
203 1 29 HIS QB 1 30 VAL MG2 . . 4.020 3.161 3.000 3.269 . 0 0 "[ . 1 . 2]" 2
204 1 36 THR HA 1 36 THR MG . . 3.200 2.651 2.165 3.203 0.003 9 0 "[ . 1 . 2]" 2
205 1 33 ARG HA 1 36 THR MG . . 4.300 2.967 2.002 3.699 . 0 0 "[ . 1 . 2]" 2
206 1 30 VAL MG1 1 33 ARG QD . . 4.160 3.175 2.254 4.164 0.004 15 0 "[ . 1 . 2]" 2
207 1 22 PHE HB3 1 28 LEU HB2 . . 4.410 3.961 3.473 4.400 . 0 0 "[ . 1 . 2]" 2
208 1 22 PHE HB2 1 28 LEU HB2 . . 4.020 2.635 2.283 3.020 . 0 0 "[ . 1 . 2]" 2
209 1 22 PHE HB2 1 24 LYS H . . 4.290 4.002 3.557 4.264 . 0 0 "[ . 1 . 2]" 2
210 1 22 PHE HB2 1 28 LEU HA . . 4.590 3.912 3.623 4.176 . 0 0 "[ . 1 . 2]" 2
211 1 30 VAL HA 1 33 ARG QD . . 3.740 2.759 2.039 3.693 . 0 0 "[ . 1 . 2]" 2
212 1 13 TYR HB2 1 22 PHE HB3 . . 4.360 4.015 3.624 4.208 . 0 0 "[ . 1 . 2]" 2
213 1 13 TYR HB2 1 22 PHE HB2 . . 3.920 2.489 2.157 2.752 . 0 0 "[ . 1 . 2]" 2
214 1 22 PHE HB3 1 27 GLN HB3 . . 3.820 2.482 2.266 2.740 . 0 0 "[ . 1 . 2]" 2
215 1 22 PHE HB2 1 27 GLN HB3 . . 4.210 3.775 3.530 4.191 . 0 0 "[ . 1 . 2]" 2
216 1 33 ARG HB2 1 33 ARG QD . . 3.720 2.751 2.293 3.514 . 0 0 "[ . 1 . 2]" 2
217 1 22 PHE HB2 1 28 LEU MD1 . . 4.590 3.843 3.621 4.231 . 0 0 "[ . 1 . 2]" 2
218 1 30 VAL HA 1 30 VAL MG1 . . 3.280 2.369 2.287 2.476 . 0 0 "[ . 1 . 2]" 2
219 1 30 VAL HA 1 33 ARG H . . 4.230 3.968 3.854 4.223 . 0 0 "[ . 1 . 2]" 2
220 1 14 GLU QB 1 21 SER QB . . 4.130 3.683 2.826 4.132 0.002 12 0 "[ . 1 . 2]" 2
221 1 30 VAL HA 1 33 ARG HG2 . . 4.860 3.562 2.743 3.988 . 0 0 "[ . 1 . 2]" 2
222 1 15 CYS H 1 21 SER QB . . 4.590 4.340 3.570 4.605 0.015 15 0 "[ . 1 . 2]" 2
223 1 11 LYS H 1 21 SER QB . . 4.840 3.225 2.595 3.976 . 0 0 "[ . 1 . 2]" 2
224 1 20 LYS HA 1 21 SER QB . . 4.690 4.371 4.106 4.664 . 0 0 "[ . 1 . 2]" 2
225 1 11 LYS QB 1 21 SER QB . . 3.530 2.028 1.824 2.776 . 0 0 "[ . 1 . 2]" 2
226 1 13 TYR QD 1 24 LYS H . . 4.980 4.585 4.256 4.830 . 0 0 "[ . 1 . 2]" 2
227 1 13 TYR HA 1 13 TYR QD . . 3.390 3.017 2.908 3.122 . 0 0 "[ . 1 . 2]" 2
228 1 13 TYR QD 1 23 ILE HA . . 4.280 3.004 2.814 3.343 . 0 0 "[ . 1 . 2]" 2
229 1 13 TYR QD 1 22 PHE HB2 . . 4.670 4.051 3.865 4.320 . 0 0 "[ . 1 . 2]" 2
230 1 12 PRO HB3 1 13 TYR QD . . 5.000 3.888 3.671 4.055 . 0 0 "[ . 1 . 2]" 2
231 1 13 TYR QD 1 28 LEU HB3 . . 5.200 3.622 3.001 4.129 . 0 0 "[ . 1 . 2]" 2
232 1 24 LYS QE 1 24 LYS QG . . 3.380 2.183 2.059 2.388 . 0 0 "[ . 1 . 2]" 2
233 1 13 TYR QD 1 25 LYS QD . . 5.300 3.979 2.409 5.202 . 0 0 "[ . 1 . 2]" 2
234 1 13 TYR QD 1 28 LEU HG . . 5.500 5.012 4.589 5.353 . 0 0 "[ . 1 . 2]" 2
235 1 13 TYR QD 1 28 LEU HB2 . . 4.820 3.907 3.128 4.427 . 0 0 "[ . 1 . 2]" 2
236 1 13 TYR QD 1 28 LEU MD2 . . 3.590 2.468 1.991 2.826 . 0 0 "[ . 1 . 2]" 2
237 1 25 LYS QE 1 29 HIS HE1 . . 4.580 3.770 1.989 4.579 . 0 0 "[ . 1 . 2]" 2
238 1 13 TYR QD 1 25 LYS QE . . 4.800 3.906 2.101 4.810 0.010 15 0 "[ . 1 . 2]" 2
239 1 13 TYR QE 1 25 LYS QE . . 4.100 2.623 1.923 4.030 . 0 0 "[ . 1 . 2]" 2
240 1 17 ASP HB3 1 18 CYS HB3 . . 4.880 3.871 3.764 3.947 . 0 0 "[ . 1 . 2]" 2
241 1 15 CYS HB2 1 17 ASP HB2 . . 5.340 5.007 4.892 5.078 . 0 0 "[ . 1 . 2]" 2
242 1 17 ASP HB2 1 18 CYS HB3 . . 5.500 4.522 4.344 4.602 . 0 0 "[ . 1 . 2]" 2
243 1 22 PHE QD 1 24 LYS H . . 5.380 4.860 4.583 5.056 . 0 0 "[ . 1 . 2]" 2
244 1 17 ASP HB3 1 35 HIS HD2 . . 4.720 3.564 3.107 4.036 . 0 0 "[ . 1 . 2]" 2
245 1 21 SER HA 1 22 PHE QD . . 3.790 3.121 2.730 3.394 . 0 0 "[ . 1 . 2]" 2
246 1 13 TYR HB3 1 22 PHE QD . . 4.810 3.503 2.983 3.814 . 0 0 "[ . 1 . 2]" 2
247 1 13 TYR HB2 1 22 PHE QD . . 4.180 3.477 3.143 3.753 . 0 0 "[ . 1 . 2]" 2
248 1 15 CYS HB2 1 22 PHE QD . . 4.750 3.955 3.683 4.219 . 0 0 "[ . 1 . 2]" 2
249 1 22 PHE QD 1 27 GLN HG3 . . 4.940 3.709 3.248 4.667 . 0 0 "[ . 1 . 2]" 2
250 1 22 PHE QD 1 27 GLN HB3 . . 3.460 2.158 1.997 2.347 . 0 0 "[ . 1 . 2]" 2
251 1 22 PHE QD 1 28 LEU HG . . 4.950 4.706 4.454 4.945 . 0 0 "[ . 1 . 2]" 2
252 1 22 PHE QD 1 28 LEU HB2 . . 3.760 2.605 2.311 2.927 . 0 0 "[ . 1 . 2]" 2
253 1 22 PHE QD 1 28 LEU MD1 . . 3.370 2.225 1.983 2.642 . 0 0 "[ . 1 . 2]" 2
254 1 22 PHE QD 1 27 GLN HA . . 4.850 4.465 4.247 4.660 . 0 0 "[ . 1 . 2]" 2
255 1 23 ILE HA 1 23 ILE MG . . 3.310 2.381 2.290 2.469 . 0 0 "[ . 1 . 2]" 2
256 1 23 ILE MG 1 24 LYS QE . . 4.260 3.538 2.180 4.261 0.001 19 0 "[ . 1 . 2]" 2
257 1 23 ILE HG13 1 23 ILE MG . . 3.550 2.960 2.284 3.189 . 0 0 "[ . 1 . 2]" 2
258 1 23 ILE HG12 1 23 ILE MG . . 3.550 2.390 2.039 3.202 . 0 0 "[ . 1 . 2]" 2
259 1 16 SER HB2 1 17 ASP H . . 4.860 4.449 4.107 4.608 . 0 0 "[ . 1 . 2]" 2
260 1 13 TYR H 1 23 ILE HA . . 5.500 5.508 5.481 5.530 0.030 8 0 "[ . 1 . 2]" 2
261 1 12 PRO HA 1 13 TYR QD . . 4.690 4.429 4.210 4.634 . 0 0 "[ . 1 . 2]" 2
262 1 12 PRO HD2 1 23 ILE HA . . 4.100 2.693 1.999 2.882 . 0 0 "[ . 1 . 2]" 2
263 1 12 PRO HA 1 13 TYR HB2 . . 5.050 5.044 4.964 5.085 0.035 13 0 "[ . 1 . 2]" 2
264 1 34 ILE HA 1 34 ILE HB . . 3.010 2.408 2.366 2.469 . 0 0 "[ . 1 . 2]" 2
265 1 23 ILE HA 1 23 ILE HG13 . . 3.980 2.945 2.387 3.740 . 0 0 "[ . 1 . 2]" 2
266 1 23 ILE HA 1 23 ILE HG12 . . 3.980 2.861 2.624 3.548 . 0 0 "[ . 1 . 2]" 2
267 1 23 ILE HA 1 23 ILE MD . . 3.950 3.456 1.975 3.887 . 0 0 "[ . 1 . 2]" 2
268 1 34 ILE HA 1 34 ILE MG . . 3.200 2.421 2.313 2.491 . 0 0 "[ . 1 . 2]" 2
269 1 16 SER HB3 1 17 ASP H . . 4.860 4.232 3.426 4.599 . 0 0 "[ . 1 . 2]" 2
270 1 22 PHE QD 1 28 LEU HB3 . . 4.570 4.279 4.015 4.570 0.000 19 0 "[ . 1 . 2]" 2
271 1 22 PHE HB2 1 28 LEU HB3 . . 4.690 4.035 3.677 4.477 . 0 0 "[ . 1 . 2]" 2
272 1 28 LEU HB2 1 28 LEU MD1 . . 3.670 2.317 2.203 2.406 . 0 0 "[ . 1 . 2]" 2
273 1 28 LEU HB3 1 28 LEU MD2 . . 3.380 2.276 2.137 2.375 . 0 0 "[ . 1 . 2]" 2
274 1 35 HIS HB2 1 36 THR HA . . 5.500 4.649 4.353 5.145 . 0 0 "[ . 1 . 2]" 2
275 1 35 HIS HB3 1 36 THR HA . . 5.500 4.404 4.039 4.872 . 0 0 "[ . 1 . 2]" 2
276 1 22 PHE QE 1 28 LEU HA . . 4.600 3.260 3.034 3.506 . 0 0 "[ . 1 . 2]" 2
277 1 22 PHE QE 1 31 HIS HD2 . . 3.690 3.213 2.885 3.499 . 0 0 "[ . 1 . 2]" 2
278 1 15 CYS HB3 1 22 PHE QE . . 4.370 4.074 3.588 4.366 . 0 0 "[ . 1 . 2]" 2
279 1 20 LYS HB3 1 22 PHE QE . . 4.280 2.761 2.378 3.231 . 0 0 "[ . 1 . 2]" 2
280 1 34 ILE H 1 34 ILE MG . . 3.380 2.061 1.874 2.449 . 0 0 "[ . 1 . 2]" 2
281 1 13 TYR HB3 1 22 PHE H . . 4.250 3.946 3.702 4.181 . 0 0 "[ . 1 . 2]" 2
282 1 13 TYR H 1 13 TYR HB3 . . 4.190 3.954 3.927 3.996 . 0 0 "[ . 1 . 2]" 2
283 1 13 TYR HB3 1 22 PHE HB2 . . 4.340 3.149 2.691 3.423 . 0 0 "[ . 1 . 2]" 2
284 1 13 TYR HB3 1 28 LEU HB3 . . 4.330 3.355 3.071 3.614 . 0 0 "[ . 1 . 2]" 2
285 1 13 TYR HB2 1 28 LEU HB3 . . 5.360 4.604 4.261 4.842 . 0 0 "[ . 1 . 2]" 2
286 1 13 TYR HB3 1 28 LEU HG . . 4.940 4.555 4.349 4.691 . 0 0 "[ . 1 . 2]" 2
287 1 13 TYR HB3 1 28 LEU HB2 . . 4.040 2.560 2.235 3.026 . 0 0 "[ . 1 . 2]" 2
288 1 13 TYR HB2 1 28 LEU HB2 . . 4.190 3.473 3.295 3.632 . 0 0 "[ . 1 . 2]" 2
289 1 13 TYR HB3 1 28 LEU MD2 . . 3.320 2.025 1.952 2.157 . 0 0 "[ . 1 . 2]" 2
290 1 13 TYR HB2 1 28 LEU MD2 . . 3.750 3.554 3.306 3.751 0.001 13 0 "[ . 1 . 2]" 2
291 1 26 SER QB 1 27 GLN H . . 4.860 2.637 2.294 3.448 . 0 0 "[ . 1 . 2]" 2
292 1 13 TYR HB3 1 22 PHE HB3 . . 5.120 4.845 4.308 5.122 0.002 8 0 "[ . 1 . 2]" 2
293 1 26 SER QB 1 29 HIS QB . . 4.800 4.083 3.785 4.371 . 0 0 "[ . 1 . 2]" 2
294 1 26 SER HA 1 29 HIS QB . . 3.370 2.343 2.162 2.536 . 0 0 "[ . 1 . 2]" 2
295 1 22 PHE HZ 1 31 HIS HA . . 5.160 4.794 4.491 5.159 . 0 0 "[ . 1 . 2]" 2
296 1 34 ILE HB 1 34 ILE MD . . 3.180 2.206 2.087 2.353 . 0 0 "[ . 1 . 2]" 2
297 1 22 PHE HZ 1 31 HIS HE1 . . 4.930 4.153 3.706 4.597 . 0 0 "[ . 1 . 2]" 2
298 1 22 PHE HZ 1 31 HIS HD2 . . 4.650 3.945 3.139 4.519 . 0 0 "[ . 1 . 2]" 2
299 1 22 PHE HZ 1 31 HIS HB3 . . 4.370 3.236 2.893 3.564 . 0 0 "[ . 1 . 2]" 2
300 1 22 PHE HZ 1 31 HIS HB2 . . 4.370 2.663 2.321 3.038 . 0 0 "[ . 1 . 2]" 2
301 1 20 LYS HB3 1 22 PHE HZ . . 4.550 2.914 2.161 3.459 . 0 0 "[ . 1 . 2]" 2
302 1 22 PHE HZ 1 28 LEU MD1 . . 5.100 3.975 3.365 4.258 . 0 0 "[ . 1 . 2]" 2
303 1 34 ILE H 1 34 ILE MD . . 4.020 3.887 3.796 3.964 . 0 0 "[ . 1 . 2]" 2
304 1 34 ILE MD 1 35 HIS H . . 4.970 3.853 3.695 3.928 . 0 0 "[ . 1 . 2]" 2
305 1 31 HIS HA 1 34 ILE MD . . 4.640 4.405 3.944 4.645 0.005 18 0 "[ . 1 . 2]" 2
306 1 34 ILE HA 1 34 ILE MD . . 4.160 4.110 4.069 4.156 . 0 0 "[ . 1 . 2]" 2
307 1 32 GLN HE21 1 35 HIS HD2 . . 3.980 3.659 3.171 3.986 0.006 8 0 "[ . 1 . 2]" 2
308 1 35 HIS HB3 1 35 HIS HD2 . . 3.740 3.589 3.482 3.700 . 0 0 "[ . 1 . 2]" 2
309 1 32 GLN QG 1 35 HIS HD2 . . 3.940 3.379 2.718 3.712 . 0 0 "[ . 1 . 2]" 2
310 1 17 ASP HB2 1 35 HIS HD2 . . 4.130 2.786 2.296 3.285 . 0 0 "[ . 1 . 2]" 2
311 1 13 TYR QD 1 25 LYS HA . . 4.110 2.927 2.350 3.437 . 0 0 "[ . 1 . 2]" 2
312 1 13 TYR QE 1 25 LYS HA . . 3.980 3.050 2.301 3.728 . 0 0 "[ . 1 . 2]" 2
313 1 25 LYS HA 1 28 LEU HB3 . . 3.450 3.105 2.901 3.364 . 0 0 "[ . 1 . 2]" 2
314 1 25 LYS HA 1 25 LYS QD . . 4.160 3.433 2.347 4.162 0.002 10 0 "[ . 1 . 2]" 2
315 1 25 LYS HA 1 28 LEU HB2 . . 4.200 4.042 3.712 4.202 0.002 10 0 "[ . 1 . 2]" 2
316 1 31 HIS HA 1 34 ILE H . . 4.580 3.826 3.699 4.118 . 0 0 "[ . 1 . 2]" 2
317 1 32 GLN HA 1 34 ILE H . . 4.400 4.111 3.388 4.371 . 0 0 "[ . 1 . 2]" 2
318 1 32 GLN HA 1 35 HIS HD2 . . 3.250 2.226 2.007 2.450 . 0 0 "[ . 1 . 2]" 2
319 1 31 HIS HA 1 32 GLN HA . . 5.470 4.909 4.865 4.934 . 0 0 "[ . 1 . 2]" 2
320 1 32 GLN HA 1 33 ARG HA . . 5.500 4.931 4.901 4.982 . 0 0 "[ . 1 . 2]" 2
321 1 32 GLN HA 1 35 HIS HB3 . . 4.760 4.363 4.102 4.588 . 0 0 "[ . 1 . 2]" 2
322 1 32 GLN HA 1 32 GLN QG . . 3.240 2.433 2.290 2.532 . 0 0 "[ . 1 . 2]" 2
323 1 30 VAL HB 1 31 HIS HA . . 4.990 4.306 4.211 4.529 . 0 0 "[ . 1 . 2]" 2
324 1 30 VAL MG1 1 31 HIS HA . . 4.240 3.571 3.378 3.745 . 0 0 "[ . 1 . 2]" 2
325 1 31 HIS HA 1 34 ILE MG . . 4.230 3.412 3.046 3.858 . 0 0 "[ . 1 . 2]" 2
326 1 14 GLU HG3 1 15 CYS H . . 4.590 3.687 3.356 3.979 . 0 0 "[ . 1 . 2]" 2
327 1 14 GLU H 1 14 GLU HG2 . . 4.840 4.547 4.468 4.628 . 0 0 "[ . 1 . 2]" 2
328 1 32 GLN HA 1 35 HIS H . . 4.220 3.166 2.906 3.282 . 0 0 "[ . 1 . 2]" 2
329 1 14 GLU HG3 1 19 GLY HA2 . . 4.880 4.311 4.001 4.531 . 0 0 "[ . 1 . 2]" 2
330 1 14 GLU HG2 1 21 SER QB . . 4.780 4.324 3.432 4.785 0.005 15 0 "[ . 1 . 2]" 2
331 1 14 GLU HG3 1 21 SER QB . . 4.610 2.931 2.011 3.721 . 0 0 "[ . 1 . 2]" 2
332 1 15 CYS H 1 31 HIS HD2 . . 5.500 5.498 5.430 5.517 0.017 15 0 "[ . 1 . 2]" 2
333 1 31 HIS H 1 31 HIS HD2 . . 5.140 4.779 4.439 4.941 . 0 0 "[ . 1 . 2]" 2
334 1 31 HIS HD2 1 35 HIS H . . 5.500 5.494 5.466 5.517 0.017 15 0 "[ . 1 . 2]" 2
335 1 15 CYS HA 1 31 HIS HD2 . . 5.190 4.635 4.501 4.845 . 0 0 "[ . 1 . 2]" 2
336 1 31 HIS HA 1 31 HIS HD2 . . 5.030 4.550 4.491 4.593 . 0 0 "[ . 1 . 2]" 2
337 1 31 HIS HD2 1 32 GLN HA . . 3.750 2.931 2.748 3.121 . 0 0 "[ . 1 . 2]" 2
338 1 31 HIS HD2 1 32 GLN QG . . 3.660 2.681 2.248 3.017 . 0 0 "[ . 1 . 2]" 2
339 1 31 HIS HD2 1 32 GLN HB2 . . 5.400 4.671 4.421 4.929 . 0 0 "[ . 1 . 2]" 2
340 1 31 HIS HD2 1 32 GLN HB3 . . 5.400 4.935 4.419 5.268 . 0 0 "[ . 1 . 2]" 2
341 1 28 LEU MD1 1 31 HIS HD2 . . 3.430 2.596 2.424 2.844 . 0 0 "[ . 1 . 2]" 2
342 1 29 HIS HA 1 29 HIS HD2 . . 3.790 2.279 2.135 2.682 . 0 0 "[ . 1 . 2]" 2
343 1 29 HIS HA 1 32 GLN QG . . 4.290 3.306 2.577 3.707 . 0 0 "[ . 1 . 2]" 2
344 1 29 HIS HA 1 32 GLN HB2 . . 4.560 2.918 2.659 3.101 . 0 0 "[ . 1 . 2]" 2
345 1 29 HIS HA 1 32 GLN HB3 . . 4.560 4.477 4.238 4.561 0.001 20 0 "[ . 1 . 2]" 2
346 1 23 ILE HB 1 23 ILE MD . . 3.500 2.424 2.095 3.220 . 0 0 "[ . 1 . 2]" 2
347 1 28 LEU HB3 1 29 HIS HA . . 4.900 4.276 4.165 4.364 . 0 0 "[ . 1 . 2]" 2
348 1 28 LEU HG 1 29 HIS HA . . 4.480 3.422 3.183 3.643 . 0 0 "[ . 1 . 2]" 2
349 1 33 ARG HA 1 33 ARG QD . . 4.310 3.821 2.356 4.263 . 0 0 "[ . 1 . 2]" 2
350 1 29 HIS HD2 1 32 GLN QG . . 4.710 4.030 3.685 4.347 . 0 0 "[ . 1 . 2]" 2
351 1 33 ARG HA 1 33 ARG HG2 . . 3.750 2.512 2.320 3.725 . 0 0 "[ . 1 . 2]" 2
352 1 33 ARG HA 1 33 ARG HG3 . . 3.750 3.346 3.077 3.770 0.020 19 0 "[ . 1 . 2]" 2
353 1 24 LYS HB3 1 27 GLN HB2 . . 4.980 4.215 3.559 4.700 . 0 0 "[ . 1 . 2]" 2
354 1 24 LYS HB2 1 27 GLN HB2 . . 4.310 3.081 2.634 3.887 . 0 0 "[ . 1 . 2]" 2
355 1 28 LEU HA 1 32 GLN H . . 4.720 3.741 3.540 3.987 . 0 0 "[ . 1 . 2]" 2
356 1 28 LEU HA 1 31 HIS H . . 4.210 3.348 3.132 3.652 . 0 0 "[ . 1 . 2]" 2
357 1 22 PHE QD 1 28 LEU HA . . 3.860 3.176 2.892 3.455 . 0 0 "[ . 1 . 2]" 2
358 1 28 LEU HA 1 32 GLN QG . . 4.700 4.111 3.669 4.483 . 0 0 "[ . 1 . 2]" 2
359 1 28 LEU HA 1 28 LEU HG . . 3.950 3.200 3.095 3.307 . 0 0 "[ . 1 . 2]" 2
360 1 28 LEU HA 1 28 LEU MD1 . . 3.180 2.167 1.972 2.396 . 0 0 "[ . 1 . 2]" 2
361 1 27 GLN HA 1 30 VAL H . . 4.290 4.056 3.750 4.287 . 0 0 "[ . 1 . 2]" 2
362 1 27 GLN HA 1 27 GLN HG2 . . 3.650 2.899 2.395 3.660 0.010 10 0 "[ . 1 . 2]" 2
363 1 27 GLN HA 1 27 GLN HG3 . . 3.650 3.574 2.815 3.666 0.016 11 0 "[ . 1 . 2]" 2
364 1 27 GLN HA 1 30 VAL MG2 . . 3.730 3.421 3.049 3.703 . 0 0 "[ . 1 . 2]" 2
365 1 27 GLN HA 1 30 VAL MG1 . . 4.790 4.609 4.258 4.781 . 0 0 "[ . 1 . 2]" 2
366 1 22 PHE QD 1 27 GLN HG2 . . 4.940 4.705 3.921 4.937 . 0 0 "[ . 1 . 2]" 2
367 1 27 GLN H 1 27 GLN HG2 . . 3.970 2.593 2.259 3.452 . 0 0 "[ . 1 . 2]" 2
368 1 22 PHE HB3 1 27 GLN HG2 . . 4.870 4.371 3.471 4.792 . 0 0 "[ . 1 . 2]" 2
369 1 22 PHE HB3 1 27 GLN HG3 . . 4.870 3.542 3.099 4.028 . 0 0 "[ . 1 . 2]" 2
370 1 24 LYS HB2 1 27 GLN HG2 . . 4.130 2.572 2.024 3.618 . 0 0 "[ . 1 . 2]" 2
371 1 24 LYS HB2 1 27 GLN HG3 . . 4.130 3.048 1.992 3.917 . 0 0 "[ . 1 . 2]" 2
372 1 21 SER HA 1 22 PHE QE . . 4.680 4.064 3.736 4.396 . 0 0 "[ . 1 . 2]" 2
373 1 15 CYS HB2 1 21 SER HA . . 4.920 4.333 4.090 4.734 . 0 0 "[ . 1 . 2]" 2
374 1 21 SER HA 1 22 PHE HB2 . . 4.860 4.577 4.494 4.669 . 0 0 "[ . 1 . 2]" 2
375 1 14 GLU HG3 1 21 SER HA . . 4.500 3.533 3.160 3.836 . 0 0 "[ . 1 . 2]" 2
376 1 14 GLU QB 1 21 SER HA . . 4.420 4.078 3.910 4.294 . 0 0 "[ . 1 . 2]" 2
377 1 20 LYS HA 1 21 SER HA . . 4.940 4.447 4.382 4.533 . 0 0 "[ . 1 . 2]" 2
378 1 10 GLU HA 1 11 LYS QB . . 5.270 4.455 4.088 5.199 . 0 0 "[ . 1 . 2]" 2
379 1 20 LYS HB2 1 22 PHE QE . . 4.280 3.616 2.746 4.281 0.001 14 0 "[ . 1 . 2]" 2
380 1 14 GLU QB 1 15 CYS H . . 4.030 3.779 3.713 3.832 . 0 0 "[ . 1 . 2]" 2
381 1 13 TYR HA 1 14 GLU QB . . 4.800 4.540 4.481 4.582 . 0 0 "[ . 1 . 2]" 2
382 1 14 GLU QB 1 19 GLY HA2 . . 5.140 5.010 4.766 5.144 0.004 9 0 "[ . 1 . 2]" 2
383 1 14 GLU QB 1 14 GLU HG3 . . 2.620 2.343 2.235 2.456 . 0 0 "[ . 1 . 2]" 2
384 1 11 LYS QB 1 22 PHE H . . 5.220 3.284 3.099 3.482 . 0 0 "[ . 1 . 2]" 2
385 1 11 LYS QB 1 23 ILE H . . 5.500 4.182 3.289 4.636 . 0 0 "[ . 1 . 2]" 2
386 1 11 LYS QB 1 23 ILE HA . . 4.510 3.768 3.270 4.305 . 0 0 "[ . 1 . 2]" 2
387 1 12 PRO HB2 1 22 PHE H . . 5.380 5.196 5.013 5.341 . 0 0 "[ . 1 . 2]" 2
388 1 18 CYS HB2 1 19 GLY H . . 4.660 3.530 3.430 3.599 . 0 0 "[ . 1 . 2]" 2
389 1 18 CYS HB3 1 19 GLY H . . 4.680 3.872 3.823 3.977 . 0 0 "[ . 1 . 2]" 2
390 1 18 CYS HB2 1 20 LYS H . . 4.350 3.615 3.498 4.078 . 0 0 "[ . 1 . 2]" 2
391 1 12 PRO HB2 1 13 TYR QD . . 4.950 2.319 2.072 2.482 . 0 0 "[ . 1 . 2]" 2
392 1 12 PRO HB2 1 13 TYR HA . . 4.930 4.016 3.972 4.047 . 0 0 "[ . 1 . 2]" 2
393 1 27 GLN HA 1 30 VAL HB . . 3.570 3.406 2.973 3.572 0.002 12 0 "[ . 1 . 2]" 2
394 1 25 LYS HB2 1 25 LYS QD . . 3.900 2.510 2.072 3.401 . 0 0 "[ . 1 . 2]" 2
395 1 25 LYS HB3 1 25 LYS QD . . 3.900 2.566 2.099 3.421 . 0 0 "[ . 1 . 2]" 2
396 1 10 GLU HA 1 11 LYS HA . . 5.240 4.403 4.298 4.656 . 0 0 "[ . 1 . 2]" 2
397 1 11 LYS HA 1 23 ILE HA . . 5.500 4.991 4.111 5.320 . 0 0 "[ . 1 . 2]" 2
398 1 33 ARG H 1 33 ARG HB2 . . 3.810 2.599 2.462 3.592 . 0 0 "[ . 1 . 2]" 2
399 1 33 ARG H 1 33 ARG HB3 . . 3.810 3.549 2.593 3.614 . 0 0 "[ . 1 . 2]" 2
400 1 29 HIS QB 1 30 VAL HA . . 4.710 3.800 3.738 3.869 . 0 0 "[ . 1 . 2]" 2
401 1 33 ARG HB3 1 33 ARG QD . . 3.720 2.451 2.085 2.866 . 0 0 "[ . 1 . 2]" 2
402 1 28 LEU HB3 1 29 HIS QB . . 4.830 4.460 4.275 4.673 . 0 0 "[ . 1 . 2]" 2
403 1 29 HIS QB 1 30 VAL HB . . 5.270 4.656 4.547 4.760 . 0 0 "[ . 1 . 2]" 2
404 1 15 CYS HB2 1 20 LYS H . . 4.080 3.958 3.547 4.081 0.001 19 0 "[ . 1 . 2]" 2
405 1 15 CYS HB2 1 18 CYS H . . 4.640 4.412 4.319 4.568 . 0 0 "[ . 1 . 2]" 2
406 1 15 CYS HB3 1 31 HIS HD2 . . 4.500 4.287 4.149 4.408 . 0 0 "[ . 1 . 2]" 2
407 1 15 CYS HB2 1 31 HIS HD2 . . 3.450 3.261 3.091 3.366 . 0 0 "[ . 1 . 2]" 2
408 1 15 CYS HB2 1 22 PHE QE . . 3.710 2.517 1.995 2.942 . 0 0 "[ . 1 . 2]" 2
409 1 15 CYS HB3 1 20 LYS HB2 . . 4.850 3.409 2.633 4.126 . 0 0 "[ . 1 . 2]" 2
410 1 15 CYS HB2 1 20 LYS HB2 . . 4.930 3.460 2.813 4.247 . 0 0 "[ . 1 . 2]" 2
411 1 15 CYS HB2 1 20 LYS HB3 . . 4.930 3.473 2.678 4.013 . 0 0 "[ . 1 . 2]" 2
412 1 15 CYS HB3 1 20 LYS HB3 . . 4.850 4.029 3.162 4.553 . 0 0 "[ . 1 . 2]" 2
413 1 15 CYS HB3 1 28 LEU MD1 . . 4.170 3.942 3.601 4.167 . 0 0 "[ . 1 . 2]" 2
414 1 15 CYS HB2 1 28 LEU MD1 . . 3.440 2.655 2.294 2.932 . 0 0 "[ . 1 . 2]" 2
415 1 20 LYS HD3 1 31 HIS HE1 . . 4.080 3.086 1.997 4.081 0.001 14 0 "[ . 1 . 2]" 2
416 1 11 LYS HA 1 11 LYS QD . . 4.900 3.563 1.985 4.206 . 0 0 "[ . 1 . 2]" 2
417 1 20 LYS HA 1 20 LYS HD2 . . 4.700 4.380 3.978 4.692 . 0 0 "[ . 1 . 2]" 2
418 1 20 LYS HA 1 20 LYS HD3 . . 4.700 4.501 4.149 4.680 . 0 0 "[ . 1 . 2]" 2
419 1 31 HIS HB2 1 32 GLN H . . 4.140 3.767 3.677 3.847 . 0 0 "[ . 1 . 2]" 2
420 1 29 HIS H 1 29 HIS HD2 . . 5.130 3.678 2.628 4.156 . 0 0 "[ . 1 . 2]" 2
421 1 35 HIS HB2 1 36 THR H . . 4.680 2.820 2.138 4.219 . 0 0 "[ . 1 . 2]" 2
422 1 35 HIS H 1 35 HIS HB2 . . 3.810 2.348 2.251 2.468 . 0 0 "[ . 1 . 2]" 2
423 1 22 PHE QD 1 31 HIS HB2 . . 5.210 4.775 4.540 5.112 . 0 0 "[ . 1 . 2]" 2
424 1 22 PHE QD 1 31 HIS HB3 . . 5.210 4.569 4.404 4.728 . 0 0 "[ . 1 . 2]" 2
425 1 35 HIS HB2 1 35 HIS HD2 . . 3.740 2.704 2.690 2.735 . 0 0 "[ . 1 . 2]" 2
426 1 22 PHE QE 1 31 HIS HB3 . . 4.350 3.355 3.155 3.674 . 0 0 "[ . 1 . 2]" 2
427 1 32 GLN HA 1 35 HIS HB2 . . 4.760 2.741 2.470 3.034 . 0 0 "[ . 1 . 2]" 2
428 1 28 LEU HG 1 29 HIS HD2 . . 4.470 4.019 3.274 4.466 . 0 0 "[ . 1 . 2]" 2
429 1 35 HIS HB2 1 36 THR MG . . 4.940 3.518 3.037 4.355 . 0 0 "[ . 1 . 2]" 2
430 1 35 HIS HB3 1 36 THR MG . . 4.940 4.140 3.449 4.940 . 0 0 "[ . 1 . 2]" 2
431 1 28 LEU MD1 1 31 HIS HB3 . . 4.630 2.889 2.489 3.282 . 0 0 "[ . 1 . 2]" 2
432 1 28 LEU MD2 1 29 HIS HD2 . . 4.770 4.108 3.017 4.769 . 0 0 "[ . 1 . 2]" 2
433 1 23 ILE H 1 23 ILE HG12 . . 4.060 3.562 2.327 4.055 . 0 0 "[ . 1 . 2]" 2
434 1 24 LYS H 1 27 GLN HB3 . . 4.670 4.270 4.007 4.578 . 0 0 "[ . 1 . 2]" 2
435 1 22 PHE QD 1 27 GLN HB2 . . 4.120 3.439 3.154 3.644 . 0 0 "[ . 1 . 2]" 2
436 1 27 GLN HB3 1 28 LEU H . . 5.200 3.337 3.121 3.599 . 0 0 "[ . 1 . 2]" 2
437 1 22 PHE QE 1 31 HIS HB2 . . 4.350 3.252 2.749 3.538 . 0 0 "[ . 1 . 2]" 2
438 1 27 GLN H 1 27 GLN HB3 . . 4.160 3.571 3.508 3.601 . 0 0 "[ . 1 . 2]" 2
439 1 22 PHE HB3 1 27 GLN HB2 . . 3.870 2.367 1.999 2.679 . 0 0 "[ . 1 . 2]" 2
440 1 28 LEU MD1 1 31 HIS HB2 . . 4.630 4.237 3.757 4.585 . 0 0 "[ . 1 . 2]" 2
441 1 28 LEU MD1 1 32 GLN HB3 . . 5.080 4.711 4.299 5.028 . 0 0 "[ . 1 . 2]" 2
442 1 11 LYS H 1 12 PRO HD2 . . 5.190 4.805 4.767 4.834 . 0 0 "[ . 1 . 2]" 2
443 1 28 LEU HG 1 31 HIS HD2 . . 5.270 4.571 4.310 4.899 . 0 0 "[ . 1 . 2]" 2
444 1 28 LEU HG 1 32 GLN HE21 . . 5.500 3.973 3.552 4.429 . 0 0 "[ . 1 . 2]" 2
445 1 11 LYS HA 1 12 PRO HD3 . . 3.070 2.287 2.256 2.349 . 0 0 "[ . 1 . 2]" 2
446 1 11 LYS HA 1 12 PRO HD2 . . 3.070 2.344 2.222 2.507 . 0 0 "[ . 1 . 2]" 2
447 1 12 PRO HD3 1 23 ILE HA . . 4.100 4.019 3.487 4.112 0.012 17 0 "[ . 1 . 2]" 2
448 1 30 VAL HA 1 33 ARG HG3 . . 4.860 2.467 2.011 4.865 0.005 19 0 "[ . 1 . 2]" 2
449 1 28 LEU HG 1 32 GLN QG . . 3.860 2.341 1.983 2.555 . 0 0 "[ . 1 . 2]" 2
450 1 11 LYS QB 1 12 PRO HD3 . . 3.940 3.537 3.363 3.774 . 0 0 "[ . 1 . 2]" 2
451 1 11 LYS QB 1 12 PRO HD2 . . 3.940 2.217 1.989 2.546 . 0 0 "[ . 1 . 2]" 2
452 1 13 TYR QE 1 25 LYS HB2 . . 4.640 3.121 1.997 4.636 . 0 0 "[ . 1 . 2]" 2
453 1 13 TYR HA 1 13 TYR QE . . 4.750 4.701 4.668 4.757 0.007 15 0 "[ . 1 . 2]" 2
454 1 13 TYR QE 1 23 ILE HA . . 4.920 3.935 3.710 4.441 . 0 0 "[ . 1 . 2]" 2
455 1 12 PRO HB3 1 13 TYR QE . . 4.910 4.560 4.282 4.698 . 0 0 "[ . 1 . 2]" 2
456 1 13 TYR QE 1 25 LYS QD . . 3.880 2.739 1.847 3.760 . 0 0 "[ . 1 . 2]" 2
457 1 13 TYR QE 1 25 LYS HB3 . . 4.640 4.099 3.509 4.590 . 0 0 "[ . 1 . 2]" 2
458 1 13 TYR QE 1 28 LEU MD2 . . 5.020 4.333 3.974 4.646 . 0 0 "[ . 1 . 2]" 2
459 1 12 PRO HG2 1 13 TYR H . . 4.850 3.779 3.764 3.808 . 0 0 "[ . 1 . 2]" 2
460 1 12 PRO HG3 1 13 TYR H . . 4.850 4.509 4.496 4.532 . 0 0 "[ . 1 . 2]" 2
461 1 11 LYS HA 1 12 PRO HG3 . . 4.640 4.443 4.378 4.541 . 0 0 "[ . 1 . 2]" 2
462 1 11 LYS HA 1 12 PRO HG2 . . 4.640 4.467 4.369 4.601 . 0 0 "[ . 1 . 2]" 2
463 1 42 GLY HA2 1 43 PRO QD . . 3.690 2.433 1.956 3.471 . 0 0 "[ . 1 . 2]" 2
464 1 42 GLY HA3 1 43 PRO QD . . 3.690 2.574 1.918 3.466 . 0 0 "[ . 1 . 2]" 2
465 1 31 HIS HE1 1 34 ILE HG12 . . 4.900 4.026 3.814 4.200 . 0 0 "[ . 1 . 2]" 2
466 1 28 LEU MD2 1 29 HIS H . . 4.900 3.909 3.593 4.208 . 0 0 "[ . 1 . 2]" 2
467 1 22 PHE QD 1 28 LEU MD2 . . 4.800 3.654 3.160 3.993 . 0 0 "[ . 1 . 2]" 2
468 1 22 PHE QE 1 28 LEU MD2 . . 4.990 4.638 4.101 4.873 . 0 0 "[ . 1 . 2]" 2
469 1 13 TYR HA 1 28 LEU MD2 . . 4.060 3.084 2.827 3.292 . 0 0 "[ . 1 . 2]" 2
470 1 28 LEU HA 1 28 LEU MD2 . . 4.480 3.925 3.878 3.961 . 0 0 "[ . 1 . 2]" 2
471 1 28 LEU MD2 1 32 GLN QG . . 4.090 3.244 3.050 3.534 . 0 0 "[ . 1 . 2]" 2
472 1 28 LEU HB2 1 28 LEU MD2 . . 3.490 2.409 2.260 2.492 . 0 0 "[ . 1 . 2]" 2
473 1 20 LYS H 1 20 LYS HG2 . . 4.760 4.126 3.532 4.646 . 0 0 "[ . 1 . 2]" 2
474 1 20 LYS H 1 20 LYS HG3 . . 4.760 3.230 2.612 4.203 . 0 0 "[ . 1 . 2]" 2
475 1 20 LYS HG3 1 21 SER H . . 4.700 3.939 2.436 4.682 . 0 0 "[ . 1 . 2]" 2
476 1 28 LEU MD2 1 32 GLN HE22 . . 5.060 4.382 3.286 5.044 . 0 0 "[ . 1 . 2]" 2
477 1 20 LYS HA 1 20 LYS HG2 . . 4.160 2.706 2.170 3.169 . 0 0 "[ . 1 . 2]" 2
478 1 20 LYS HA 1 20 LYS HG3 . . 4.160 2.553 2.178 3.119 . 0 0 "[ . 1 . 2]" 2
479 1 18 CYS HA 1 35 HIS HE1 . . 4.480 4.070 3.580 4.477 . 0 0 "[ . 1 . 2]" 2
480 1 18 CYS HB2 1 35 HIS HE1 . . 4.150 3.857 3.683 4.147 . 0 0 "[ . 1 . 2]" 2
481 1 18 CYS HB3 1 35 HIS HE1 . . 3.230 2.167 1.997 2.497 . 0 0 "[ . 1 . 2]" 2
482 1 17 ASP HB3 1 35 HIS HE1 . . 4.840 3.003 2.671 3.371 . 0 0 "[ . 1 . 2]" 2
483 1 17 ASP HB2 1 35 HIS HE1 . . 4.830 4.074 3.595 4.398 . 0 0 "[ . 1 . 2]" 2
484 1 13 TYR HB3 1 28 LEU H . . 5.320 4.583 4.228 5.014 . 0 0 "[ . 1 . 2]" 2
485 1 20 LYS HB2 1 22 PHE HZ . . 4.550 3.799 3.226 4.260 . 0 0 "[ . 1 . 2]" 2
486 1 24 LYS HB2 1 27 GLN HB3 . . 4.910 4.477 4.154 4.897 . 0 0 "[ . 1 . 2]" 2
487 1 39 ASN HA 1 40 PRO HD2 . . 3.870 2.236 1.923 2.403 . 0 0 "[ . 1 . 2]" 2
488 1 39 ASN HA 1 40 PRO HD3 . . 3.870 2.448 2.254 3.249 . 0 0 "[ . 1 . 2]" 2
489 1 10 GLU H 1 10 GLU QB . . 3.560 2.573 2.196 3.312 . 0 0 "[ . 1 . 2]" 2
490 1 10 GLU H 1 10 GLU QG . . 4.520 3.062 1.899 4.231 . 0 0 "[ . 1 . 2]" 2
491 1 10 GLU QB 1 11 LYS H . . 4.060 3.268 2.176 4.049 . 0 0 "[ . 1 . 2]" 2
492 1 11 LYS H 1 11 LYS QG . . 3.930 3.126 1.887 3.895 . 0 0 "[ . 1 . 2]" 2
493 1 11 LYS H 1 12 PRO QD . . 4.450 4.342 4.240 4.376 . 0 0 "[ . 1 . 2]" 2
494 1 11 LYS HA 1 11 LYS QG . . 3.620 2.378 2.159 2.862 . 0 0 "[ . 1 . 2]" 2
495 1 11 LYS QB 1 12 PRO QD . . 3.350 2.195 1.975 2.508 . 0 0 "[ . 1 . 2]" 2
496 1 11 LYS QG 1 12 PRO QD . . 4.540 2.915 2.366 3.922 . 0 0 "[ . 1 . 2]" 2
497 1 12 PRO QG 1 13 TYR QD . . 4.340 2.039 1.976 2.196 . 0 0 "[ . 1 . 2]" 2
498 1 12 PRO QG 1 13 TYR QE . . 4.400 3.113 2.969 3.353 . 0 0 "[ . 1 . 2]" 2
499 1 12 PRO QD 1 13 TYR H . . 4.960 4.714 4.707 4.727 . 0 0 "[ . 1 . 2]" 2
500 1 12 PRO QD 1 13 TYR QD . . 4.120 3.951 3.878 4.121 0.001 13 0 "[ . 1 . 2]" 2
501 1 12 PRO QD 1 13 TYR QE . . 5.300 5.059 4.922 5.302 0.002 10 0 "[ . 1 . 2]" 2
502 1 12 PRO QD 1 23 ILE HA . . 3.480 2.653 1.987 2.828 . 0 0 "[ . 1 . 2]" 2
503 1 12 PRO QD 1 23 ILE QG . . 3.800 2.867 2.379 3.800 . 0 0 "[ . 1 . 2]" 2
504 1 13 TYR QD 1 25 LYS QG . . 4.470 3.226 2.317 4.467 . 0 0 "[ . 1 . 2]" 2
505 1 13 TYR QE 1 25 LYS QG . . 4.290 2.372 1.873 3.753 . 0 0 "[ . 1 . 2]" 2
506 1 15 CYS HB2 1 20 LYS QB . . 4.250 2.917 2.635 3.297 . 0 0 "[ . 1 . 2]" 2
507 1 15 CYS HB3 1 20 LYS QB . . 4.100 3.109 2.603 3.412 . 0 0 "[ . 1 . 2]" 2
508 1 16 SER QB 1 17 ASP H . . 4.250 3.841 3.294 4.051 . 0 0 "[ . 1 . 2]" 2
509 1 20 LYS H 1 20 LYS QB . . 2.980 2.203 2.117 2.292 . 0 0 "[ . 1 . 2]" 2
510 1 20 LYS H 1 20 LYS QG . . 3.910 3.098 2.573 3.897 . 0 0 "[ . 1 . 2]" 2
511 1 20 LYS H 1 20 LYS QD . . 4.960 3.964 3.318 4.423 . 0 0 "[ . 1 . 2]" 2
512 1 20 LYS HA 1 20 LYS QG . . 3.580 2.224 2.131 2.323 . 0 0 "[ . 1 . 2]" 2
513 1 20 LYS QB 1 20 LYS QD . . 3.050 2.124 2.007 2.255 . 0 0 "[ . 1 . 2]" 2
514 1 20 LYS QB 1 21 SER H . . 3.590 2.961 2.155 3.600 0.010 10 0 "[ . 1 . 2]" 2
515 1 20 LYS QB 1 22 PHE QE . . 3.750 2.641 2.360 3.025 . 0 0 "[ . 1 . 2]" 2
516 1 20 LYS QB 1 22 PHE HZ . . 3.820 2.815 2.135 3.276 . 0 0 "[ . 1 . 2]" 2
517 1 20 LYS QB 1 31 HIS HE1 . . 4.650 3.453 3.017 4.052 . 0 0 "[ . 1 . 2]" 2
518 1 20 LYS QE 1 20 LYS QG . . 3.280 2.209 2.056 2.359 . 0 0 "[ . 1 . 2]" 2
519 1 20 LYS QG 1 21 SER H . . 3.980 3.149 1.946 3.914 . 0 0 "[ . 1 . 2]" 2
520 1 20 LYS QD 1 22 PHE HZ . . 3.860 2.610 1.992 3.559 . 0 0 "[ . 1 . 2]" 2
521 1 20 LYS QD 1 31 HIS HD2 . . 5.340 4.677 4.101 5.004 . 0 0 "[ . 1 . 2]" 2
522 1 20 LYS QD 1 31 HIS HE1 . . 3.550 2.333 1.830 2.967 . 0 0 "[ . 1 . 2]" 2
523 1 22 PHE HB3 1 27 GLN QG . . 4.100 3.377 3.008 3.706 . 0 0 "[ . 1 . 2]" 2
524 1 22 PHE QD 1 27 GLN QG . . 4.210 3.552 3.179 4.079 . 0 0 "[ . 1 . 2]" 2
525 1 22 PHE QD 1 31 HIS QB . . 4.490 4.152 3.997 4.355 . 0 0 "[ . 1 . 2]" 2
526 1 22 PHE QE 1 31 HIS QB . . 3.770 2.927 2.643 3.131 . 0 0 "[ . 1 . 2]" 2
527 1 22 PHE HZ 1 31 HIS QB . . 3.610 2.542 2.253 2.845 . 0 0 "[ . 1 . 2]" 2
528 1 23 ILE H 1 23 ILE QG . . 3.430 2.469 2.213 3.053 . 0 0 "[ . 1 . 2]" 2
529 1 23 ILE HA 1 23 ILE QG . . 3.390 2.533 2.351 3.026 . 0 0 "[ . 1 . 2]" 2
530 1 23 ILE QG 1 23 ILE MG . . 3.060 2.182 1.978 2.376 . 0 0 "[ . 1 . 2]" 2
531 1 23 ILE QG 1 24 LYS H . . 4.820 4.068 3.950 4.302 . 0 0 "[ . 1 . 2]" 2
532 1 24 LYS H 1 27 GLN QG . . 3.870 3.104 2.758 3.356 . 0 0 "[ . 1 . 2]" 2
533 1 24 LYS HB2 1 24 LYS QD . . 3.690 2.828 2.208 3.398 . 0 0 "[ . 1 . 2]" 2
534 1 24 LYS HB2 1 27 GLN QG . . 3.460 2.306 1.981 2.731 . 0 0 "[ . 1 . 2]" 2
535 1 24 LYS HB3 1 24 LYS QD . . 3.670 2.553 2.144 3.465 . 0 0 "[ . 1 . 2]" 2
536 1 24 LYS HB3 1 27 GLN QG . . 4.150 3.583 2.932 4.111 . 0 0 "[ . 1 . 2]" 2
537 1 24 LYS QG 1 27 GLN QG . . 4.210 3.729 3.099 4.211 0.001 4 0 "[ . 1 . 2]" 2
538 1 24 LYS QD 1 27 GLN QG . . 4.730 4.065 3.027 4.747 0.017 13 0 "[ . 1 . 2]" 2
539 1 25 LYS H 1 25 LYS QG . . 4.730 3.530 2.538 4.034 . 0 0 "[ . 1 . 2]" 2
540 1 25 LYS HA 1 25 LYS QG . . 3.430 2.387 2.130 2.826 . 0 0 "[ . 1 . 2]" 2
541 1 25 LYS QB 1 25 LYS QE . . 4.020 3.164 1.967 3.771 . 0 0 "[ . 1 . 2]" 2
542 1 25 LYS QG 1 29 HIS HE1 . . 4.770 3.422 2.321 4.709 . 0 0 "[ . 1 . 2]" 2
543 1 27 GLN H 1 27 GLN QG . . 3.300 2.485 2.132 3.239 . 0 0 "[ . 1 . 2]" 2
544 1 27 GLN HA 1 27 GLN QE . . 4.660 3.389 2.344 4.620 . 0 0 "[ . 1 . 2]" 2
545 1 27 GLN QG 1 28 LEU H . . 4.640 4.193 3.899 4.447 . 0 0 "[ . 1 . 2]" 2
546 1 28 LEU HA 1 31 HIS QB . . 4.170 2.429 2.258 2.651 . 0 0 "[ . 1 . 2]" 2
547 1 28 LEU MD1 1 31 HIS QB . . 3.920 2.843 2.456 3.213 . 0 0 "[ . 1 . 2]" 2
548 1 28 LEU MD1 1 32 GLN QB . . 4.420 3.916 3.658 4.273 . 0 0 "[ . 1 . 2]" 2
549 1 29 HIS HA 1 32 GLN QB . . 3.780 2.882 2.633 3.052 . 0 0 "[ . 1 . 2]" 2
550 1 29 HIS HD2 1 32 GLN QB . . 4.890 4.108 3.523 4.814 . 0 0 "[ . 1 . 2]" 2
551 1 30 VAL HA 1 33 ARG QG . . 4.080 2.339 1.998 3.340 . 0 0 "[ . 1 . 2]" 2
552 1 30 VAL HB 1 31 HIS QB . . 4.710 4.092 4.021 4.172 . 0 0 "[ . 1 . 2]" 2
553 1 31 HIS H 1 31 HIS QB . . 2.770 2.212 2.173 2.265 . 0 0 "[ . 1 . 2]" 2
554 1 31 HIS HA 1 33 ARG QG . . 4.780 4.413 2.800 4.754 . 0 0 "[ . 1 . 2]" 2
555 1 31 HIS HA 1 34 ILE QG . . 4.990 3.680 3.318 3.997 . 0 0 "[ . 1 . 2]" 2
556 1 31 HIS QB 1 31 HIS HD2 . . 3.450 2.708 2.681 2.736 . 0 0 "[ . 1 . 2]" 2
557 1 31 HIS QB 1 32 GLN H . . 3.320 2.303 2.173 2.426 . 0 0 "[ . 1 . 2]" 2
558 1 31 HIS QB 1 33 ARG H . . 5.340 4.398 4.330 4.477 . 0 0 "[ . 1 . 2]" 2
559 1 31 HIS HD2 1 32 GLN QB . . 4.610 4.259 3.952 4.518 . 0 0 "[ . 1 . 2]" 2
560 1 31 HIS HE1 1 34 ILE QG . . 4.260 3.813 3.586 3.974 . 0 0 "[ . 1 . 2]" 2
561 1 32 GLN H 1 32 GLN QB . . 3.140 2.448 2.341 2.713 . 0 0 "[ . 1 . 2]" 2
562 1 32 GLN HA 1 35 HIS QB . . 4.060 2.713 2.451 2.993 . 0 0 "[ . 1 . 2]" 2
563 1 32 GLN QB 1 33 ARG H . . 3.920 2.874 2.823 2.987 . 0 0 "[ . 1 . 2]" 2
564 1 32 GLN QB 1 35 HIS HD2 . . 4.740 3.996 3.273 4.353 . 0 0 "[ . 1 . 2]" 2
565 1 33 ARG H 1 33 ARG QB . . 3.300 2.498 2.422 2.577 . 0 0 "[ . 1 . 2]" 2
566 1 33 ARG H 1 33 ARG QG . . 3.060 2.195 2.029 2.354 . 0 0 "[ . 1 . 2]" 2
567 1 33 ARG QB 1 33 ARG QD . . 3.210 2.225 2.026 2.605 . 0 0 "[ . 1 . 2]" 2
568 1 33 ARG QB 1 34 ILE H . . 3.820 2.503 2.255 3.499 . 0 0 "[ . 1 . 2]" 2
569 1 33 ARG QB 1 36 THR MG . . 5.280 4.577 3.541 5.283 0.003 15 0 "[ . 1 . 2]" 2
570 1 33 ARG QG 1 36 THR MG . . 5.340 4.374 3.465 5.057 . 0 0 "[ . 1 . 2]" 2
571 1 34 ILE HA 1 34 ILE QG . . 3.640 3.303 3.293 3.308 . 0 0 "[ . 1 . 2]" 2
572 1 34 ILE QG 1 34 ILE MG . . 3.260 2.170 2.024 2.300 . 0 0 "[ . 1 . 2]" 2
573 1 34 ILE QG 1 35 HIS H . . 3.980 2.139 1.973 2.208 . 0 0 "[ . 1 . 2]" 2
574 1 35 HIS H 1 35 HIS QB . . 3.140 2.318 2.227 2.428 . 0 0 "[ . 1 . 2]" 2
575 1 35 HIS QB 1 35 HIS HD2 . . 3.180 2.628 2.624 2.641 . 0 0 "[ . 1 . 2]" 2
576 1 35 HIS QB 1 36 THR H . . 3.930 2.699 2.108 3.846 . 0 0 "[ . 1 . 2]" 2
577 1 35 HIS QB 1 36 THR HA . . 4.780 4.020 3.756 4.451 . 0 0 "[ . 1 . 2]" 2
578 1 35 HIS QB 1 36 THR MG . . 4.320 3.328 2.937 4.085 . 0 0 "[ . 1 . 2]" 2
579 1 36 THR H 1 37 GLY QA . . 5.340 4.661 3.891 5.245 . 0 0 "[ . 1 . 2]" 2
580 1 38 GLU H 1 38 GLU QB . . 3.550 2.588 2.236 3.126 . 0 0 "[ . 1 . 2]" 2
581 1 38 GLU H 1 38 GLU QG . . 4.730 3.284 2.085 4.420 . 0 0 "[ . 1 . 2]" 2
582 1 39 ASN HA 1 40 PRO QD . . 3.280 2.041 1.874 2.305 . 0 0 "[ . 1 . 2]" 2
583 1 39 ASN QB 1 40 PRO QG . . 5.340 4.362 3.578 5.360 0.020 6 0 "[ . 1 . 2]" 2
584 1 39 ASN QB 1 40 PRO QD . . 4.230 2.840 1.972 3.808 . 0 0 "[ . 1 . 2]" 2
585 1 42 GLY QA 1 43 PRO QD . . 3.160 2.012 1.881 2.325 . 0 0 "[ . 1 . 2]" 2
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