Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508456 | 2eoz RC | 10209 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2eoz
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 6
_Distance_constraint_stats_list.Viol_total 0.041
_Distance_constraint_stats_list.Viol_max 0.001
_Distance_constraint_stats_list.Viol_rms 0.0001
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0003
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 15 CYS 0.001 0.001 12 0 "[ . 1 . 2]"
1 18 CYS 0.000 0.000 12 0 "[ . 1 . 2]"
1 31 HIS 0.001 0.000 15 0 "[ . 1 . 2]"
1 35 HIS 0.001 0.001 12 0 "[ . 1 . 2]"
2 1 ZN 0.001 0.000 15 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 2.285 2.203 2.378 . 0 0 "[ . 1 . 2]" 1
2 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.433 3.272 3.510 0.000 3 0 "[ . 1 . 2]" 1
3 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.299 2.192 2.383 . 0 0 "[ . 1 . 2]" 1
4 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.404 3.265 3.501 . 0 0 "[ . 1 . 2]" 1
5 1 31 HIS NE2 2 1 ZN ZN . . 2.100 2.008 1.900 2.099 0.000 15 0 "[ . 1 . 2]" 1
6 1 35 HIS NE2 2 1 ZN ZN . . 2.100 2.004 1.908 2.100 . 1 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.807 3.565 3.948 . 0 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.651 3.440 3.720 0.000 12 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.457 3.319 3.705 0.001 12 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.377 3.320 3.509 0.000 12 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.628 3.390 3.713 . 0 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.115 3.003 3.483 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 612
_Distance_constraint_stats_list.Viol_count 79
_Distance_constraint_stats_list.Viol_total 7.991
_Distance_constraint_stats_list.Viol_max 0.073
_Distance_constraint_stats_list.Viol_rms 0.0011
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0051
_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 0.006 0.006 20 0 "[ . 1 . 2]"
1 11 LYS 0.259 0.073 16 0 "[ . 1 . 2]"
1 12 PRO 0.064 0.038 20 0 "[ . 1 . 2]"
1 13 TYR 0.065 0.007 17 0 "[ . 1 . 2]"
1 14 SER 0.037 0.012 19 0 "[ . 1 . 2]"
1 15 CYS 0.037 0.012 19 0 "[ . 1 . 2]"
1 16 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 CYS 0.014 0.007 12 0 "[ . 1 . 2]"
1 19 GLY 0.001 0.001 12 0 "[ . 1 . 2]"
1 20 LYS 0.001 0.001 11 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PHE 0.023 0.006 12 0 "[ . 1 . 2]"
1 23 VAL 0.048 0.010 18 0 "[ . 1 . 2]"
1 24 LEU 0.003 0.001 18 0 "[ . 1 . 2]"
1 25 SER 0.013 0.007 17 0 "[ . 1 . 2]"
1 26 ALA 0.002 0.001 10 0 "[ . 1 . 2]"
1 27 HIS 0.005 0.002 13 0 "[ . 1 . 2]"
1 28 LEU 0.008 0.005 17 0 "[ . 1 . 2]"
1 29 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLN 0.001 0.001 9 0 "[ . 1 . 2]"
1 31 HIS 0.001 0.001 2 0 "[ . 1 . 2]"
1 32 LEU 0.002 0.001 17 0 "[ . 1 . 2]"
1 33 ARG 0.014 0.009 10 0 "[ . 1 . 2]"
1 34 VAL 0.010 0.009 10 0 "[ . 1 . 2]"
1 35 HIS 0.012 0.007 12 0 "[ . 1 . 2]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 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 14 SER HA 1 21 ALA H . . 5.080 4.542 4.285 4.742 . 0 0 "[ . 1 . 2]" 2
2 1 20 LYS HA 1 21 ALA H . . 2.620 2.502 2.410 2.580 . 0 0 "[ . 1 . 2]" 2
3 1 20 LYS HG3 1 21 ALA H . . 4.010 2.471 2.156 2.864 . 0 0 "[ . 1 . 2]" 2
4 1 21 ALA H 1 21 ALA MB . . 2.930 2.591 2.499 2.665 . 0 0 "[ . 1 . 2]" 2
5 1 20 LYS HG2 1 21 ALA H . . 4.010 2.026 1.911 2.321 . 0 0 "[ . 1 . 2]" 2
6 1 20 LYS H 1 21 ALA H . . 4.470 4.428 4.408 4.453 . 0 0 "[ . 1 . 2]" 2
7 1 20 LYS HB3 1 21 ALA H . . 4.000 3.077 2.862 3.414 . 0 0 "[ . 1 . 2]" 2
8 1 17 VAL H 1 19 GLY H . . 3.970 3.444 3.079 3.970 . 0 0 "[ . 1 . 2]" 2
9 1 18 CYS H 1 19 GLY H . . 2.870 2.049 1.961 2.159 . 0 0 "[ . 1 . 2]" 2
10 1 15 CYS HA 1 20 LYS H . . 4.880 4.381 4.057 4.602 . 0 0 "[ . 1 . 2]" 2
11 1 16 ASN HA 1 19 GLY H . . 5.170 4.614 3.920 5.008 . 0 0 "[ . 1 . 2]" 2
12 1 19 GLY HA2 1 20 LYS H . . 3.270 2.402 2.275 2.508 . 0 0 "[ . 1 . 2]" 2
13 1 14 SER QB 1 20 LYS H . . 5.030 4.335 3.994 4.893 . 0 0 "[ . 1 . 2]" 2
14 1 18 CYS HB3 1 19 GLY H . . 4.520 3.831 3.763 3.954 . 0 0 "[ . 1 . 2]" 2
15 1 17 VAL MG2 1 19 GLY H . . 5.350 5.159 5.025 5.275 . 0 0 "[ . 1 . 2]" 2
16 1 17 VAL MG1 1 19 GLY H . . 4.960 4.890 4.725 4.959 . 0 0 "[ . 1 . 2]" 2
17 1 20 LYS H 1 20 LYS HB3 . . 3.440 2.977 2.851 3.107 . 0 0 "[ . 1 . 2]" 2
18 1 20 LYS H 1 20 LYS HB2 . . 3.440 2.932 2.772 3.115 . 0 0 "[ . 1 . 2]" 2
19 1 36 THR H 1 36 THR HB . . 3.860 2.756 2.309 3.072 . 0 0 "[ . 1 . 2]" 2
20 1 33 ARG HA 1 36 THR H . . 5.150 4.052 3.212 5.014 . 0 0 "[ . 1 . 2]" 2
21 1 35 HIS HB2 1 36 THR H . . 4.560 3.380 1.943 4.307 . 0 0 "[ . 1 . 2]" 2
22 1 35 HIS HB3 1 36 THR H . . 4.850 4.043 3.126 4.507 . 0 0 "[ . 1 . 2]" 2
23 1 16 ASN HD21 1 17 VAL MG2 . . 5.280 4.448 2.276 5.254 . 0 0 "[ . 1 . 2]" 2
24 1 16 ASN HD22 1 17 VAL MG2 . . 5.280 4.138 2.422 5.191 . 0 0 "[ . 1 . 2]" 2
25 1 17 VAL H 1 17 VAL MG1 . . 3.930 3.840 3.763 3.901 . 0 0 "[ . 1 . 2]" 2
26 1 17 VAL H 1 18 CYS H . . 3.110 2.418 1.985 3.002 . 0 0 "[ . 1 . 2]" 2
27 1 15 CYS HA 1 17 VAL H . . 4.060 3.912 3.536 4.059 . 0 0 "[ . 1 . 2]" 2
28 1 15 CYS HB3 1 17 VAL H . . 4.790 4.144 3.810 4.739 . 0 0 "[ . 1 . 2]" 2
29 1 17 VAL H 1 17 VAL HB . . 3.010 2.678 2.554 2.773 . 0 0 "[ . 1 . 2]" 2
30 1 17 VAL H 1 17 VAL MG2 . . 3.000 2.594 1.929 2.999 . 0 0 "[ . 1 . 2]" 2
31 1 26 ALA HA 1 29 ASN HD22 . . 4.810 4.257 2.724 4.808 . 0 0 "[ . 1 . 2]" 2
32 1 26 ALA HA 1 29 ASN HD21 . . 4.810 2.987 1.932 3.765 . 0 0 "[ . 1 . 2]" 2
33 1 22 PHE HB2 1 28 LEU H . . 4.160 3.395 3.210 3.719 . 0 0 "[ . 1 . 2]" 2
34 1 28 LEU H 1 29 ASN H . . 3.180 2.700 2.606 2.811 . 0 0 "[ . 1 . 2]" 2
35 1 28 LEU H 1 30 GLN H . . 4.600 4.407 4.221 4.532 . 0 0 "[ . 1 . 2]" 2
36 1 27 HIS H 1 28 LEU H . . 3.110 2.749 2.630 2.838 . 0 0 "[ . 1 . 2]" 2
37 1 28 LEU H 1 29 ASN HA . . 5.390 5.292 5.229 5.385 . 0 0 "[ . 1 . 2]" 2
38 1 26 ALA HA 1 28 LEU H . . 4.860 4.488 4.383 4.763 . 0 0 "[ . 1 . 2]" 2
39 1 27 HIS HB2 1 28 LEU H . . 3.430 2.594 2.394 2.724 . 0 0 "[ . 1 . 2]" 2
40 1 25 SER HA 1 28 LEU H . . 3.700 3.428 3.275 3.528 . 0 0 "[ . 1 . 2]" 2
41 1 28 LEU H 1 28 LEU HB3 . . 3.060 2.332 2.284 2.387 . 0 0 "[ . 1 . 2]" 2
42 1 28 LEU H 1 28 LEU HG . . 4.430 4.356 4.311 4.404 . 0 0 "[ . 1 . 2]" 2
43 1 28 LEU H 1 28 LEU HB2 . . 3.250 2.695 2.628 2.759 . 0 0 "[ . 1 . 2]" 2
44 1 28 LEU H 1 28 LEU MD1 . . 4.690 4.191 4.126 4.256 . 0 0 "[ . 1 . 2]" 2
45 1 28 LEU H 1 28 LEU MD2 . . 5.020 4.164 4.126 4.216 . 0 0 "[ . 1 . 2]" 2
46 1 24 LEU HB2 1 28 LEU H . . 4.900 4.579 4.484 4.705 . 0 0 "[ . 1 . 2]" 2
47 1 25 SER H 1 26 ALA HA . . 5.140 5.118 5.074 5.141 0.001 10 0 "[ . 1 . 2]" 2
48 1 36 THR H 1 37 GLN H . . 4.710 2.691 1.801 3.701 . 0 0 "[ . 1 . 2]" 2
49 1 37 GLN H 1 37 GLN QG . . 4.630 3.482 1.887 4.253 . 0 0 "[ . 1 . 2]" 2
50 1 11 LYS H 1 11 LYS HB2 . . 3.510 2.359 2.185 2.671 . 0 0 "[ . 1 . 2]" 2
51 1 11 LYS H 1 11 LYS HD3 . . 4.250 2.956 1.924 4.097 . 0 0 "[ . 1 . 2]" 2
52 1 13 TYR QD 1 25 SER H . . 4.680 4.374 4.128 4.546 . 0 0 "[ . 1 . 2]" 2
53 1 13 TYR QE 1 25 SER H . . 4.220 3.283 3.105 3.566 . 0 0 "[ . 1 . 2]" 2
54 1 10 GLU HA 1 11 LYS H . . 3.000 2.261 2.138 2.776 . 0 0 "[ . 1 . 2]" 2
55 1 11 LYS H 1 12 PRO HD3 . . 4.980 4.865 4.008 4.977 . 0 0 "[ . 1 . 2]" 2
56 1 25 SER H 1 25 SER HB3 . . 4.200 2.675 2.317 3.619 . 0 0 "[ . 1 . 2]" 2
57 1 11 LYS H 1 11 LYS HB3 . . 4.090 3.575 3.481 3.710 . 0 0 "[ . 1 . 2]" 2
58 1 11 LYS H 1 11 LYS QG . . 4.450 3.476 2.783 4.009 . 0 0 "[ . 1 . 2]" 2
59 1 11 LYS H 1 11 LYS HD2 . . 4.250 2.921 1.945 4.170 . 0 0 "[ . 1 . 2]" 2
60 1 24 LEU HB3 1 25 SER H . . 4.050 2.282 2.172 2.369 . 0 0 "[ . 1 . 2]" 2
61 1 24 LEU MD2 1 25 SER H . . 4.280 3.559 3.420 3.697 . 0 0 "[ . 1 . 2]" 2
62 1 24 LEU HG 1 25 SER H . . 5.130 4.846 4.787 4.908 . 0 0 "[ . 1 . 2]" 2
63 1 10 GLU H 1 10 GLU HG2 . . 5.380 3.745 2.148 5.052 . 0 0 "[ . 1 . 2]" 2
64 1 10 GLU H 1 10 GLU HG3 . . 5.380 3.839 2.722 4.630 . 0 0 "[ . 1 . 2]" 2
65 1 22 PHE HZ 1 31 HIS H . . 4.980 4.699 4.521 4.948 . 0 0 "[ . 1 . 2]" 2
66 1 31 HIS H 1 32 LEU H . . 3.350 2.696 2.425 2.848 . 0 0 "[ . 1 . 2]" 2
67 1 31 HIS H 1 33 ARG H . . 4.360 4.016 3.880 4.160 . 0 0 "[ . 1 . 2]" 2
68 1 22 PHE QE 1 31 HIS H . . 5.040 4.469 4.005 4.811 . 0 0 "[ . 1 . 2]" 2
69 1 27 HIS HA 1 31 HIS H . . 4.680 4.582 4.404 4.676 . 0 0 "[ . 1 . 2]" 2
70 1 31 HIS H 1 31 HIS HB3 . . 2.830 2.404 2.340 2.481 . 0 0 "[ . 1 . 2]" 2
71 1 31 HIS H 1 31 HIS HB2 . . 3.100 2.694 2.581 2.799 . 0 0 "[ . 1 . 2]" 2
72 1 29 ASN QB 1 31 HIS H . . 5.030 4.494 4.275 4.761 . 0 0 "[ . 1 . 2]" 2
73 1 30 GLN HB2 1 31 HIS H . . 4.530 2.866 2.636 3.206 . 0 0 "[ . 1 . 2]" 2
74 1 30 GLN HB3 1 31 HIS H . . 4.530 3.564 3.203 4.012 . 0 0 "[ . 1 . 2]" 2
75 1 31 HIS H 1 32 LEU HB2 . . 5.010 4.744 4.481 4.898 . 0 0 "[ . 1 . 2]" 2
76 1 28 LEU MD1 1 31 HIS H . . 5.020 4.523 4.323 4.714 . 0 0 "[ . 1 . 2]" 2
77 1 31 HIS H 1 32 LEU MD1 . . 5.500 5.017 4.797 5.311 . 0 0 "[ . 1 . 2]" 2
78 1 22 PHE H 1 23 VAL H . . 5.260 4.404 4.319 4.465 . 0 0 "[ . 1 . 2]" 2
79 1 22 PHE HB3 1 23 VAL H . . 3.540 2.671 2.245 2.928 . 0 0 "[ . 1 . 2]" 2
80 1 22 PHE HB2 1 23 VAL H . . 4.170 3.654 3.347 3.819 . 0 0 "[ . 1 . 2]" 2
81 1 23 VAL H 1 23 VAL HB . . 3.300 2.513 2.487 2.560 . 0 0 "[ . 1 . 2]" 2
82 1 28 LEU HG 1 31 HIS H . . 5.500 5.130 4.955 5.304 . 0 0 "[ . 1 . 2]" 2
83 1 11 LYS QG 1 23 VAL H . . 4.800 3.585 3.145 4.201 . 0 0 "[ . 1 . 2]" 2
84 1 23 VAL H 1 23 VAL MG2 . . 3.160 2.348 2.139 2.555 . 0 0 "[ . 1 . 2]" 2
85 1 16 ASN H 1 17 VAL H . . 4.620 2.748 1.974 3.258 . 0 0 "[ . 1 . 2]" 2
86 1 16 ASN H 1 28 LEU MD1 . . 5.210 4.167 3.717 4.618 . 0 0 "[ . 1 . 2]" 2
87 1 13 TYR H 1 13 TYR QD . . 3.380 2.597 2.453 2.764 . 0 0 "[ . 1 . 2]" 2
88 1 11 LYS HA 1 13 TYR H . . 4.500 3.995 3.450 4.213 . 0 0 "[ . 1 . 2]" 2
89 1 12 PRO HA 1 13 TYR H . . 3.560 3.517 3.472 3.551 . 0 0 "[ . 1 . 2]" 2
90 1 12 PRO HD2 1 13 TYR H . . 3.650 2.656 2.647 2.690 . 0 0 "[ . 1 . 2]" 2
91 1 13 TYR H 1 13 TYR HB3 . . 3.840 3.714 3.650 3.768 . 0 0 "[ . 1 . 2]" 2
92 1 13 TYR H 1 13 TYR HB2 . . 3.150 2.607 2.496 2.692 . 0 0 "[ . 1 . 2]" 2
93 1 13 TYR H 1 22 PHE HB2 . . 4.590 4.534 4.383 4.596 0.006 12 0 "[ . 1 . 2]" 2
94 1 12 PRO HB3 1 13 TYR H . . 4.350 4.155 4.034 4.270 . 0 0 "[ . 1 . 2]" 2
95 1 11 LYS HB3 1 13 TYR H . . 4.620 2.721 2.440 3.648 . 0 0 "[ . 1 . 2]" 2
96 1 12 PRO HB2 1 13 TYR H . . 3.870 3.359 3.149 3.557 . 0 0 "[ . 1 . 2]" 2
97 1 13 TYR H 1 28 LEU MD2 . . 5.380 5.153 4.846 5.363 . 0 0 "[ . 1 . 2]" 2
98 1 13 TYR H 1 14 SER H . . 4.660 4.517 4.452 4.572 . 0 0 "[ . 1 . 2]" 2
99 1 13 TYR QD 1 14 SER H . . 4.410 4.079 3.907 4.170 . 0 0 "[ . 1 . 2]" 2
100 1 14 SER H 1 14 SER QB . . 3.330 3.020 2.768 3.324 . 0 0 "[ . 1 . 2]" 2
101 1 13 TYR HB3 1 14 SER H . . 3.910 2.892 2.649 3.127 . 0 0 "[ . 1 . 2]" 2
102 1 13 TYR HB2 1 14 SER H . . 4.460 3.868 3.618 4.038 . 0 0 "[ . 1 . 2]" 2
103 1 14 SER H 1 28 LEU HB2 . . 4.730 4.581 4.220 4.732 0.002 18 0 "[ . 1 . 2]" 2
104 1 14 SER H 1 28 LEU MD2 . . 3.740 2.697 2.142 3.206 . 0 0 "[ . 1 . 2]" 2
105 1 29 ASN H 1 30 GLN H . . 3.400 2.863 2.689 2.976 . 0 0 "[ . 1 . 2]" 2
106 1 14 SER H 1 21 ALA HA . . 4.850 4.643 4.524 4.816 . 0 0 "[ . 1 . 2]" 2
107 1 27 HIS HA 1 30 GLN H . . 4.100 3.812 3.606 3.945 . 0 0 "[ . 1 . 2]" 2
108 1 28 LEU HA 1 30 GLN H . . 5.310 4.733 4.453 4.920 . 0 0 "[ . 1 . 2]" 2
109 1 30 GLN H 1 31 HIS HB3 . . 5.500 4.940 4.775 5.084 . 0 0 "[ . 1 . 2]" 2
110 1 29 ASN QB 1 30 GLN H . . 3.320 2.418 2.254 2.566 . 0 0 "[ . 1 . 2]" 2
111 1 26 ALA MB 1 30 GLN H . . 4.830 4.506 4.276 4.737 . 0 0 "[ . 1 . 2]" 2
112 1 30 GLN H 1 32 LEU MD1 . . 5.290 5.106 4.946 5.280 . 0 0 "[ . 1 . 2]" 2
113 1 27 HIS H 1 29 ASN H . . 4.420 4.249 4.122 4.385 . 0 0 "[ . 1 . 2]" 2
114 1 29 ASN HA 1 32 LEU H . . 4.120 3.447 3.250 3.570 . 0 0 "[ . 1 . 2]" 2
115 1 31 HIS HB3 1 32 LEU H . . 3.490 2.435 2.211 2.626 . 0 0 "[ . 1 . 2]" 2
116 1 31 HIS HB2 1 32 LEU H . . 4.190 3.838 3.692 3.952 . 0 0 "[ . 1 . 2]" 2
117 1 29 ASN QB 1 32 LEU H . . 5.230 4.941 4.717 5.181 . 0 0 "[ . 1 . 2]" 2
118 1 29 ASN H 1 29 ASN QB . . 2.890 2.297 2.153 2.630 . 0 0 "[ . 1 . 2]" 2
119 1 32 LEU H 1 32 LEU HG . . 3.270 2.098 1.950 2.203 . 0 0 "[ . 1 . 2]" 2
120 1 28 LEU HB3 1 29 ASN H . . 3.240 2.566 2.488 2.679 . 0 0 "[ . 1 . 2]" 2
121 1 32 LEU H 1 32 LEU HB2 . . 3.270 2.600 2.508 2.698 . 0 0 "[ . 1 . 2]" 2
122 1 32 LEU H 1 32 LEU HB3 . . 3.700 3.600 3.587 3.618 . 0 0 "[ . 1 . 2]" 2
123 1 28 LEU HG 1 29 ASN H . . 4.000 3.378 3.179 3.572 . 0 0 "[ . 1 . 2]" 2
124 1 32 LEU H 1 32 LEU MD2 . . 4.210 3.311 3.114 3.509 . 0 0 "[ . 1 . 2]" 2
125 1 28 LEU HB2 1 29 ASN H . . 4.050 3.931 3.878 3.991 . 0 0 "[ . 1 . 2]" 2
126 1 28 LEU MD1 1 32 LEU H . . 4.310 3.874 3.446 4.151 . 0 0 "[ . 1 . 2]" 2
127 1 26 ALA HA 1 29 ASN H . . 3.850 3.535 3.449 3.652 . 0 0 "[ . 1 . 2]" 2
128 1 25 SER HA 1 29 ASN H . . 4.230 4.186 4.088 4.225 . 0 0 "[ . 1 . 2]" 2
129 1 28 LEU MD1 1 29 ASN H . . 5.040 4.329 4.183 4.416 . 0 0 "[ . 1 . 2]" 2
130 1 29 ASN H 1 32 LEU MD1 . . 5.500 4.143 3.817 4.413 . 0 0 "[ . 1 . 2]" 2
131 1 15 CYS HB3 1 18 CYS H . . 4.000 3.947 3.799 4.001 0.001 9 0 "[ . 1 . 2]" 2
132 1 18 CYS H 1 18 CYS HB3 . . 3.790 2.899 2.761 3.061 . 0 0 "[ . 1 . 2]" 2
133 1 17 VAL HB 1 18 CYS H . . 3.030 2.309 2.189 2.514 . 0 0 "[ . 1 . 2]" 2
134 1 17 VAL MG2 1 18 CYS H . . 3.960 3.722 3.669 3.810 . 0 0 "[ . 1 . 2]" 2
135 1 17 VAL MG1 1 18 CYS H . . 3.740 3.182 3.013 3.331 . 0 0 "[ . 1 . 2]" 2
136 1 13 TYR H 1 22 PHE H . . 3.840 3.709 3.502 3.842 0.002 13 0 "[ . 1 . 2]" 2
137 1 22 PHE H 1 22 PHE QD . . 3.210 2.728 2.352 2.982 . 0 0 "[ . 1 . 2]" 2
138 1 22 PHE H 1 22 PHE QE . . 4.960 4.715 4.385 4.912 . 0 0 "[ . 1 . 2]" 2
139 1 14 SER HA 1 22 PHE H . . 3.770 3.186 2.982 3.425 . 0 0 "[ . 1 . 2]" 2
140 1 21 ALA HA 1 22 PHE H . . 2.800 2.234 2.159 2.343 . 0 0 "[ . 1 . 2]" 2
141 1 15 CYS HA 1 18 CYS H . . 5.490 5.193 5.016 5.345 . 0 0 "[ . 1 . 2]" 2
142 1 16 ASN HA 1 18 CYS H . . 5.500 4.661 4.419 4.859 . 0 0 "[ . 1 . 2]" 2
143 1 22 PHE H 1 22 PHE HB3 . . 4.150 3.893 3.778 3.975 . 0 0 "[ . 1 . 2]" 2
144 1 13 TYR HB3 1 22 PHE H . . 4.420 4.095 3.783 4.418 . 0 0 "[ . 1 . 2]" 2
145 1 13 TYR HB2 1 22 PHE H . . 4.120 2.964 2.665 3.263 . 0 0 "[ . 1 . 2]" 2
146 1 22 PHE H 1 22 PHE HB2 . . 3.380 2.869 2.650 3.020 . 0 0 "[ . 1 . 2]" 2
147 1 11 LYS HB3 1 22 PHE H . . 4.060 2.945 2.737 3.183 . 0 0 "[ . 1 . 2]" 2
148 1 11 LYS QG 1 22 PHE H . . 4.630 3.473 3.166 3.970 . 0 0 "[ . 1 . 2]" 2
149 1 21 ALA MB 1 22 PHE H . . 3.240 2.820 2.513 3.061 . 0 0 "[ . 1 . 2]" 2
150 1 22 PHE H 1 28 LEU MD1 . . 4.600 4.379 4.111 4.582 . 0 0 "[ . 1 . 2]" 2
151 1 13 TYR QD 1 22 PHE H . . 4.950 4.537 4.271 4.761 . 0 0 "[ . 1 . 2]" 2
152 1 35 HIS H 1 36 THR HB . . 5.190 4.569 4.200 5.167 . 0 0 "[ . 1 . 2]" 2
153 1 33 ARG HA 1 35 HIS H . . 4.520 3.891 3.619 4.338 . 0 0 "[ . 1 . 2]" 2
154 1 35 HIS H 1 37 GLN H . . 5.280 4.736 3.492 5.249 . 0 0 "[ . 1 . 2]" 2
155 1 34 VAL H 1 35 HIS H . . 3.290 2.687 2.276 2.871 . 0 0 "[ . 1 . 2]" 2
156 1 35 HIS H 1 36 THR H . . 3.600 2.787 2.292 3.402 . 0 0 "[ . 1 . 2]" 2
157 1 35 HIS H 1 35 HIS HD2 . . 4.130 3.822 3.457 4.037 . 0 0 "[ . 1 . 2]" 2
158 1 32 LEU HA 1 35 HIS H . . 4.060 3.344 2.852 3.554 . 0 0 "[ . 1 . 2]" 2
159 1 35 HIS H 1 35 HIS HB3 . . 3.750 3.673 3.611 3.725 . 0 0 "[ . 1 . 2]" 2
160 1 35 HIS H 1 35 HIS HB2 . . 3.300 2.581 2.501 2.646 . 0 0 "[ . 1 . 2]" 2
161 1 34 VAL HB 1 35 HIS H . . 4.190 4.029 3.746 4.184 . 0 0 "[ . 1 . 2]" 2
162 1 35 HIS H 1 36 THR MG . . 4.640 3.934 3.322 4.525 . 0 0 "[ . 1 . 2]" 2
163 1 34 VAL MG1 1 35 HIS H . . 4.300 3.901 3.716 4.069 . 0 0 "[ . 1 . 2]" 2
164 1 34 VAL MG2 1 35 HIS H . . 3.920 2.143 1.961 2.289 . 0 0 "[ . 1 . 2]" 2
165 1 32 LEU H 1 34 VAL H . . 4.940 4.690 4.320 4.937 . 0 0 "[ . 1 . 2]" 2
166 1 34 VAL H 1 35 HIS HD2 . . 5.500 5.385 4.968 5.500 . 10 0 "[ . 1 . 2]" 2
167 1 33 ARG QD 1 34 VAL H . . 5.500 4.707 4.008 5.336 . 0 0 "[ . 1 . 2]" 2
168 1 34 VAL H 1 35 HIS HB2 . . 5.500 5.066 4.658 5.359 . 0 0 "[ . 1 . 2]" 2
169 1 33 ARG HB2 1 34 VAL H . . 3.360 2.586 2.333 3.140 . 0 0 "[ . 1 . 2]" 2
170 1 33 ARG HB3 1 34 VAL H . . 4.120 3.469 3.041 3.987 . 0 0 "[ . 1 . 2]" 2
171 1 34 VAL H 1 34 VAL MG2 . . 3.420 2.381 2.131 2.512 . 0 0 "[ . 1 . 2]" 2
172 1 33 ARG H 1 34 VAL H . . 3.430 2.896 2.733 3.105 . 0 0 "[ . 1 . 2]" 2
173 1 33 ARG H 1 33 ARG QD . . 4.190 3.517 1.827 4.182 . 0 0 "[ . 1 . 2]" 2
174 1 32 LEU MD2 1 33 ARG H . . 5.150 4.786 4.714 4.834 . 0 0 "[ . 1 . 2]" 2
175 1 32 LEU MD1 1 33 ARG H . . 4.730 4.628 4.372 4.730 . 0 0 "[ . 1 . 2]" 2
176 1 33 ARG H 1 34 VAL MG2 . . 5.120 4.186 3.988 4.328 . 0 0 "[ . 1 . 2]" 2
177 1 32 LEU H 1 33 ARG H . . 3.420 2.870 2.751 2.972 . 0 0 "[ . 1 . 2]" 2
178 1 32 LEU HG 1 33 ARG H . . 4.510 4.445 4.295 4.509 . 0 0 "[ . 1 . 2]" 2
179 1 32 LEU HB2 1 33 ARG H . . 3.650 2.887 2.656 2.993 . 0 0 "[ . 1 . 2]" 2
180 1 33 ARG H 1 33 ARG HG3 . . 3.710 2.890 2.136 3.712 0.002 17 0 "[ . 1 . 2]" 2
181 1 32 LEU HB3 1 33 ARG H . . 4.330 3.854 3.671 3.997 . 0 0 "[ . 1 . 2]" 2
182 1 33 ARG H 1 34 VAL MG1 . . 5.000 4.201 3.903 4.413 . 0 0 "[ . 1 . 2]" 2
183 1 23 VAL H 1 24 LEU H . . 3.310 2.384 2.116 2.535 . 0 0 "[ . 1 . 2]" 2
184 1 24 LEU H 1 27 HIS HE1 . . 4.960 4.557 4.083 4.894 . 0 0 "[ . 1 . 2]" 2
185 1 22 PHE HB3 1 24 LEU H . . 3.720 3.107 2.733 3.334 . 0 0 "[ . 1 . 2]" 2
186 1 24 LEU H 1 27 HIS HB2 . . 3.920 2.975 2.853 3.090 . 0 0 "[ . 1 . 2]" 2
187 1 24 LEU H 1 27 HIS HB3 . . 4.460 4.326 4.191 4.461 0.001 13 0 "[ . 1 . 2]" 2
188 1 22 PHE HB2 1 24 LEU H . . 4.060 3.916 3.625 4.047 . 0 0 "[ . 1 . 2]" 2
189 1 23 VAL HB 1 24 LEU H . . 3.360 2.643 2.505 2.898 . 0 0 "[ . 1 . 2]" 2
190 1 24 LEU H 1 24 LEU HG . . 3.560 2.575 2.479 2.706 . 0 0 "[ . 1 . 2]" 2
191 1 24 LEU H 1 24 LEU HB3 . . 3.830 3.727 3.699 3.802 . 0 0 "[ . 1 . 2]" 2
192 1 23 VAL MG2 1 24 LEU H . . 3.880 3.827 3.729 3.876 . 0 0 "[ . 1 . 2]" 2
193 1 23 VAL MG1 1 24 LEU H . . 3.870 3.517 3.391 3.755 . 0 0 "[ . 1 . 2]" 2
194 1 24 LEU H 1 24 LEU HB2 . . 3.330 2.639 2.606 2.764 . 0 0 "[ . 1 . 2]" 2
195 1 24 LEU H 1 25 SER H . . 5.040 4.499 4.458 4.522 . 0 0 "[ . 1 . 2]" 2
196 1 13 TYR QD 1 24 LEU H . . 4.400 3.606 3.353 3.772 . 0 0 "[ . 1 . 2]" 2
197 1 24 LEU H 1 27 HIS H . . 4.460 4.254 4.107 4.377 . 0 0 "[ . 1 . 2]" 2
198 1 24 LEU H 1 24 LEU MD1 . . 4.380 3.753 3.576 3.916 . 0 0 "[ . 1 . 2]" 2
199 1 25 SER H 1 27 HIS H . . 4.440 4.083 3.977 4.192 . 0 0 "[ . 1 . 2]" 2
200 1 27 HIS H 1 30 GLN H . . 5.110 4.932 4.761 5.091 . 0 0 "[ . 1 . 2]" 2
201 1 27 HIS H 1 27 HIS HB2 . . 3.240 2.389 2.335 2.480 . 0 0 "[ . 1 . 2]" 2
202 1 27 HIS H 1 27 HIS HB3 . . 3.650 3.576 3.565 3.590 . 0 0 "[ . 1 . 2]" 2
203 1 27 HIS H 1 28 LEU HB3 . . 4.860 4.762 4.685 4.857 . 0 0 "[ . 1 . 2]" 2
204 1 24 LEU HG 1 27 HIS H . . 5.110 5.098 5.056 5.111 0.001 18 0 "[ . 1 . 2]" 2
205 1 26 ALA MB 1 27 HIS H . . 3.240 2.554 2.400 2.708 . 0 0 "[ . 1 . 2]" 2
206 1 24 LEU HB2 1 27 HIS H . . 3.390 2.684 2.639 2.746 . 0 0 "[ . 1 . 2]" 2
207 1 24 LEU MD1 1 27 HIS H . . 4.490 3.944 3.723 4.120 . 0 0 "[ . 1 . 2]" 2
208 1 38 GLU HB2 1 39 THR H . . 5.500 3.964 2.614 4.565 . 0 0 "[ . 1 . 2]" 2
209 1 38 GLU HB3 1 39 THR H . . 5.500 3.742 2.218 4.439 . 0 0 "[ . 1 . 2]" 2
210 1 14 SER H 1 15 CYS H . . 4.580 4.291 4.085 4.388 . 0 0 "[ . 1 . 2]" 2
211 1 15 CYS H 1 20 LYS H . . 3.970 2.631 2.383 2.994 . 0 0 "[ . 1 . 2]" 2
212 1 15 CYS H 1 22 PHE QD . . 4.420 3.936 3.633 4.332 . 0 0 "[ . 1 . 2]" 2
213 1 15 CYS H 1 22 PHE QE . . 4.280 3.423 2.667 4.118 . 0 0 "[ . 1 . 2]" 2
214 1 14 SER HA 1 15 CYS H . . 2.740 2.250 2.145 2.470 . 0 0 "[ . 1 . 2]" 2
215 1 15 CYS H 1 21 ALA HA . . 3.730 3.331 3.047 3.547 . 0 0 "[ . 1 . 2]" 2
216 1 15 CYS H 1 20 LYS HA . . 5.340 4.443 4.218 4.628 . 0 0 "[ . 1 . 2]" 2
217 1 14 SER QB 1 15 CYS H . . 3.470 2.855 2.557 3.219 . 0 0 "[ . 1 . 2]" 2
218 1 15 CYS H 1 15 CYS HB3 . . 3.010 2.359 2.328 2.412 . 0 0 "[ . 1 . 2]" 2
219 1 15 CYS H 1 15 CYS HB2 . . 3.110 2.923 2.704 3.104 . 0 0 "[ . 1 . 2]" 2
220 1 15 CYS H 1 28 LEU MD1 . . 3.800 3.335 3.154 3.533 . 0 0 "[ . 1 . 2]" 2
221 1 27 HIS HA 1 27 HIS HD2 . . 3.370 2.271 2.192 2.496 . 0 0 "[ . 1 . 2]" 2
222 1 26 ALA MB 1 27 HIS HD2 . . 3.880 3.570 2.633 3.814 . 0 0 "[ . 1 . 2]" 2
223 1 24 LEU HB2 1 27 HIS HD2 . . 5.150 4.643 3.816 4.907 . 0 0 "[ . 1 . 2]" 2
224 1 24 LEU MD1 1 27 HIS HD2 . . 4.540 4.279 3.795 4.537 . 0 0 "[ . 1 . 2]" 2
225 1 36 THR HB 1 37 GLN H . . 4.750 4.280 3.893 4.662 . 0 0 "[ . 1 . 2]" 2
226 1 15 CYS H 1 19 GLY HA2 . . 4.950 4.506 4.108 4.881 . 0 0 "[ . 1 . 2]" 2
227 1 18 CYS H 1 19 GLY HA2 . . 4.330 4.256 4.123 4.331 0.001 12 0 "[ . 1 . 2]" 2
228 1 18 CYS H 1 19 GLY HA3 . . 4.820 4.718 4.629 4.798 . 0 0 "[ . 1 . 2]" 2
229 1 18 CYS HA 1 19 GLY HA2 . . 5.310 5.074 5.013 5.142 . 0 0 "[ . 1 . 2]" 2
230 1 23 VAL HB 1 24 LEU MD2 . . 4.780 3.696 3.423 3.954 . 0 0 "[ . 1 . 2]" 2
231 1 24 LEU HB3 1 24 LEU MD2 . . 3.170 2.274 2.170 2.397 . 0 0 "[ . 1 . 2]" 2
232 1 14 SER H 1 28 LEU MD1 . . 5.240 3.339 2.948 3.615 . 0 0 "[ . 1 . 2]" 2
233 1 28 LEU MD1 1 31 HIS HD2 . . 3.380 3.061 2.658 3.356 . 0 0 "[ . 1 . 2]" 2
234 1 15 CYS HA 1 28 LEU MD1 . . 3.330 2.520 2.147 2.804 . 0 0 "[ . 1 . 2]" 2
235 1 13 TYR HB3 1 28 LEU MD1 . . 4.510 3.310 3.027 3.586 . 0 0 "[ . 1 . 2]" 2
236 1 15 CYS HB2 1 28 LEU MD1 . . 3.450 2.533 2.320 2.727 . 0 0 "[ . 1 . 2]" 2
237 1 28 LEU MD1 1 32 LEU HG . . 3.570 3.064 2.266 3.281 . 0 0 "[ . 1 . 2]" 2
238 1 28 LEU MD1 1 32 LEU MD2 . . 3.250 2.821 2.338 3.189 . 0 0 "[ . 1 . 2]" 2
239 1 11 LYS HA 1 23 VAL MG2 . . 4.300 4.038 3.257 4.300 0.000 6 0 "[ . 1 . 2]" 2
240 1 12 PRO HD2 1 23 VAL MG2 . . 4.860 3.767 3.509 4.111 . 0 0 "[ . 1 . 2]" 2
241 1 15 CYS H 1 21 ALA MB . . 4.520 4.400 4.207 4.520 . 0 0 "[ . 1 . 2]" 2
242 1 36 THR H 1 36 THR MG . . 3.590 2.200 1.884 3.239 . 0 0 "[ . 1 . 2]" 2
243 1 20 LYS HA 1 21 ALA MB . . 3.970 3.822 3.737 3.868 . 0 0 "[ . 1 . 2]" 2
244 1 11 LYS QE 1 21 ALA MB . . 4.740 3.594 2.628 4.722 . 0 0 "[ . 1 . 2]" 2
245 1 11 LYS HB2 1 21 ALA MB . . 3.540 2.245 1.958 2.521 . 0 0 "[ . 1 . 2]" 2
246 1 36 THR MG 1 37 GLN H . . 5.060 2.922 1.958 4.048 . 0 0 "[ . 1 . 2]" 2
247 1 23 VAL MG2 1 27 HIS HE1 . . 5.180 4.958 4.614 5.182 0.002 13 0 "[ . 1 . 2]" 2
248 1 23 VAL H 1 23 VAL MG1 . . 4.080 3.782 3.767 3.815 . 0 0 "[ . 1 . 2]" 2
249 1 13 TYR H 1 23 VAL MG1 . . 5.500 5.328 5.219 5.474 . 0 0 "[ . 1 . 2]" 2
250 1 23 VAL MG1 1 27 HIS HE1 . . 5.500 5.111 4.747 5.496 . 0 0 "[ . 1 . 2]" 2
251 1 11 LYS HA 1 23 VAL MG1 . . 4.650 4.497 3.851 4.608 . 0 0 "[ . 1 . 2]" 2
252 1 23 VAL HA 1 23 VAL MG1 . . 3.300 2.374 2.290 2.455 . 0 0 "[ . 1 . 2]" 2
253 1 12 PRO HD2 1 23 VAL MG1 . . 4.810 3.482 3.348 3.669 . 0 0 "[ . 1 . 2]" 2
254 1 12 PRO HD3 1 23 VAL MG1 . . 5.430 3.890 3.695 4.026 . 0 0 "[ . 1 . 2]" 2
255 1 23 VAL MG1 1 24 LEU HG . . 3.660 2.878 2.648 3.165 . 0 0 "[ . 1 . 2]" 2
256 1 23 VAL MG1 1 24 LEU MD1 . . 4.310 3.930 3.774 4.124 . 0 0 "[ . 1 . 2]" 2
257 1 22 PHE HB3 1 28 LEU H . . 4.530 3.435 3.188 3.809 . 0 0 "[ . 1 . 2]" 2
258 1 24 LEU HB3 1 27 HIS H . . 4.100 3.769 3.577 3.898 . 0 0 "[ . 1 . 2]" 2
259 1 17 VAL MG2 1 35 HIS HD2 . . 3.940 2.771 2.216 3.198 . 0 0 "[ . 1 . 2]" 2
260 1 15 CYS HA 1 17 VAL MG2 . . 5.230 4.380 3.889 4.861 . 0 0 "[ . 1 . 2]" 2
261 1 16 ASN HA 1 17 VAL MG2 . . 5.500 4.526 4.165 5.102 . 0 0 "[ . 1 . 2]" 2
262 1 17 VAL HA 1 17 VAL MG2 . . 3.070 2.377 2.250 2.460 . 0 0 "[ . 1 . 2]" 2
263 1 24 LEU HB3 1 27 HIS HB2 . . 4.850 4.715 4.548 4.845 . 0 0 "[ . 1 . 2]" 2
264 1 17 VAL MG2 1 35 HIS HB3 . . 3.960 3.305 2.468 3.829 . 0 0 "[ . 1 . 2]" 2
265 1 17 VAL MG2 1 35 HIS HB2 . . 4.120 3.492 2.827 3.838 . 0 0 "[ . 1 . 2]" 2
266 1 22 PHE HB3 1 27 HIS HB3 . . 3.830 2.687 2.495 3.097 . 0 0 "[ . 1 . 2]" 2
267 1 13 TYR HB3 1 22 PHE HB2 . . 4.190 3.216 2.945 3.396 . 0 0 "[ . 1 . 2]" 2
268 1 15 CYS HB2 1 17 VAL MG2 . . 5.500 4.943 4.789 5.322 . 0 0 "[ . 1 . 2]" 2
269 1 13 TYR HB2 1 22 PHE HB3 . . 4.220 3.810 3.632 3.931 . 0 0 "[ . 1 . 2]" 2
270 1 13 TYR HB2 1 22 PHE HB2 . . 3.790 2.271 2.126 2.389 . 0 0 "[ . 1 . 2]" 2
271 1 22 PHE HB2 1 28 LEU HB2 . . 3.900 2.474 2.217 2.746 . 0 0 "[ . 1 . 2]" 2
272 1 22 PHE HB3 1 28 LEU HB2 . . 4.220 3.747 3.444 4.015 . 0 0 "[ . 1 . 2]" 2
273 1 22 PHE HB3 1 28 LEU MD1 . . 5.140 4.815 4.622 5.041 . 0 0 "[ . 1 . 2]" 2
274 1 22 PHE HB2 1 28 LEU MD1 . . 4.610 3.737 3.552 4.015 . 0 0 "[ . 1 . 2]" 2
275 1 22 PHE HB2 1 28 LEU MD2 . . 5.110 4.120 3.883 4.347 . 0 0 "[ . 1 . 2]" 2
276 1 33 ARG HB2 1 33 ARG QD . . 3.680 2.765 2.273 3.409 . 0 0 "[ . 1 . 2]" 2
277 1 33 ARG HB3 1 33 ARG QD . . 3.500 2.582 2.080 3.299 . 0 0 "[ . 1 . 2]" 2
278 1 17 VAL MG1 1 35 HIS HB3 . . 4.050 2.390 2.049 2.774 . 0 0 "[ . 1 . 2]" 2
279 1 17 VAL MG1 1 35 HIS HB2 . . 4.460 3.424 2.962 3.775 . 0 0 "[ . 1 . 2]" 2
280 1 31 HIS HB3 1 34 VAL MG1 . . 5.500 5.299 4.673 5.496 . 0 0 "[ . 1 . 2]" 2
281 1 33 ARG QD 1 34 VAL MG1 . . 5.500 5.020 4.569 5.509 0.009 10 0 "[ . 1 . 2]" 2
282 1 34 VAL H 1 34 VAL MG1 . . 3.390 2.017 1.871 2.246 . 0 0 "[ . 1 . 2]" 2
283 1 14 SER QB 1 15 CYS HA . . 4.800 4.520 4.302 4.739 . 0 0 "[ . 1 . 2]" 2
284 1 14 SER QB 1 28 LEU MD1 . . 4.880 4.527 4.221 4.719 . 0 0 "[ . 1 . 2]" 2
285 1 14 SER QB 1 28 LEU MD2 . . 5.360 4.852 4.301 5.306 . 0 0 "[ . 1 . 2]" 2
286 1 14 SER QB 1 21 ALA HA . . 3.980 3.376 2.698 3.899 . 0 0 "[ . 1 . 2]" 2
287 1 14 SER QB 1 21 ALA MB . . 3.740 3.504 3.001 3.737 . 0 0 "[ . 1 . 2]" 2
288 1 20 LYS HE2 1 31 HIS HE1 . . 5.300 4.457 2.985 5.278 . 0 0 "[ . 1 . 2]" 2
289 1 13 TYR H 1 23 VAL HA . . 4.980 3.871 3.779 4.113 . 0 0 "[ . 1 . 2]" 2
290 1 16 ASN HA 1 17 VAL HA . . 5.180 4.576 4.401 4.900 . 0 0 "[ . 1 . 2]" 2
291 1 11 LYS QE 1 11 LYS QG . . 3.210 2.194 2.030 2.499 . 0 0 "[ . 1 . 2]" 2
292 1 11 LYS QE 1 23 VAL MG2 . . 3.890 2.852 1.993 3.645 . 0 0 "[ . 1 . 2]" 2
293 1 17 VAL HA 1 17 VAL MG1 . . 3.030 2.370 2.308 2.444 . 0 0 "[ . 1 . 2]" 2
294 1 11 LYS HA 1 23 VAL HA . . 3.760 3.674 2.353 3.770 0.010 18 0 "[ . 1 . 2]" 2
295 1 29 ASN HA 1 32 LEU HB3 . . 4.660 4.549 4.247 4.655 . 0 0 "[ . 1 . 2]" 2
296 1 12 PRO HD2 1 23 VAL HA . . 3.300 2.195 2.071 2.348 . 0 0 "[ . 1 . 2]" 2
297 1 23 VAL HA 1 23 VAL MG2 . . 3.200 2.372 2.276 2.474 . 0 0 "[ . 1 . 2]" 2
298 1 32 LEU HB2 1 32 LEU MD1 . . 3.290 2.201 2.080 2.351 . 0 0 "[ . 1 . 2]" 2
299 1 32 LEU HB3 1 32 LEU MD1 . . 3.360 2.475 2.353 2.584 . 0 0 "[ . 1 . 2]" 2
300 1 13 TYR QD 1 23 VAL HA . . 4.310 3.266 3.117 3.629 . 0 0 "[ . 1 . 2]" 2
301 1 12 PRO HD2 1 13 TYR QD . . 3.840 3.366 3.120 3.482 . 0 0 "[ . 1 . 2]" 2
302 1 13 TYR QD 1 22 PHE HB3 . . 4.990 4.499 4.239 4.745 . 0 0 "[ . 1 . 2]" 2
303 1 13 TYR QD 1 22 PHE HB2 . . 4.580 3.692 3.488 3.945 . 0 0 "[ . 1 . 2]" 2
304 1 12 PRO HB2 1 13 TYR QD . . 4.390 3.749 3.598 4.103 . 0 0 "[ . 1 . 2]" 2
305 1 13 TYR QD 1 28 LEU HB2 . . 4.890 4.066 3.847 4.393 . 0 0 "[ . 1 . 2]" 2
306 1 13 TYR QD 1 28 LEU MD2 . . 3.550 2.467 2.135 2.896 . 0 0 "[ . 1 . 2]" 2
307 1 25 SER H 1 26 ALA MB . . 4.360 4.090 3.999 4.166 . 0 0 "[ . 1 . 2]" 2
308 1 24 LEU MD1 1 26 ALA MB . . 4.070 3.581 3.464 3.692 . 0 0 "[ . 1 . 2]" 2
309 1 34 VAL HA 1 34 VAL MG1 . . 3.230 2.424 2.321 2.521 . 0 0 "[ . 1 . 2]" 2
310 1 34 VAL HA 1 34 VAL MG2 . . 3.460 3.187 3.177 3.200 . 0 0 "[ . 1 . 2]" 2
311 1 12 PRO HA 1 13 TYR QD . . 5.450 5.193 5.075 5.342 . 0 0 "[ . 1 . 2]" 2
312 1 22 PHE QD 1 23 VAL H . . 4.660 4.109 3.746 4.342 . 0 0 "[ . 1 . 2]" 2
313 1 22 PHE QD 1 28 LEU H . . 4.330 3.964 3.731 4.193 . 0 0 "[ . 1 . 2]" 2
314 1 21 ALA HA 1 22 PHE QD . . 3.860 3.150 2.782 3.692 . 0 0 "[ . 1 . 2]" 2
315 1 22 PHE QD 1 27 HIS HB3 . . 3.370 2.045 1.996 2.278 . 0 0 "[ . 1 . 2]" 2
316 1 13 TYR HB3 1 22 PHE QD . . 4.790 3.611 3.235 4.050 . 0 0 "[ . 1 . 2]" 2
317 1 15 CYS HB2 1 22 PHE QD . . 4.830 4.300 4.010 4.637 . 0 0 "[ . 1 . 2]" 2
318 1 22 PHE QD 1 31 HIS HB2 . . 5.190 4.441 4.168 4.701 . 0 0 "[ . 1 . 2]" 2
319 1 13 TYR HB2 1 22 PHE QD . . 4.600 3.472 3.131 3.815 . 0 0 "[ . 1 . 2]" 2
320 1 22 PHE QD 1 28 LEU HB3 . . 4.530 4.272 3.933 4.529 . 0 0 "[ . 1 . 2]" 2
321 1 22 PHE QD 1 28 LEU HB2 . . 3.570 2.642 2.238 2.931 . 0 0 "[ . 1 . 2]" 2
322 1 22 PHE QD 1 28 LEU MD1 . . 3.310 2.204 1.985 2.482 . 0 0 "[ . 1 . 2]" 2
323 1 13 TYR HB3 1 28 LEU HB3 . . 4.010 3.335 3.097 3.601 . 0 0 "[ . 1 . 2]" 2
324 1 13 TYR HB3 1 28 LEU HB2 . . 3.830 2.557 2.319 2.895 . 0 0 "[ . 1 . 2]" 2
325 1 22 PHE HB2 1 28 LEU HB3 . . 4.510 3.865 3.524 4.236 . 0 0 "[ . 1 . 2]" 2
326 1 28 LEU HB3 1 28 LEU MD2 . . 3.240 2.245 2.165 2.366 . 0 0 "[ . 1 . 2]" 2
327 1 28 LEU HB2 1 28 LEU MD1 . . 3.430 2.307 2.195 2.401 . 0 0 "[ . 1 . 2]" 2
328 1 36 THR HA 1 36 THR MG . . 3.620 3.200 3.186 3.206 . 0 0 "[ . 1 . 2]" 2
329 1 13 TYR HB3 1 22 PHE HB3 . . 4.980 4.899 4.601 4.984 0.004 19 0 "[ . 1 . 2]" 2
330 1 13 TYR HB2 1 28 LEU HB3 . . 4.540 4.242 3.865 4.533 . 0 0 "[ . 1 . 2]" 2
331 1 13 TYR HB3 1 28 LEU HG . . 4.800 4.485 4.169 4.772 . 0 0 "[ . 1 . 2]" 2
332 1 13 TYR HB2 1 28 LEU HB2 . . 4.020 3.142 2.816 3.373 . 0 0 "[ . 1 . 2]" 2
333 1 13 TYR HB3 1 28 LEU MD2 . . 3.190 1.991 1.846 2.195 . 0 0 "[ . 1 . 2]" 2
334 1 13 TYR HB2 1 28 LEU MD2 . . 3.680 3.485 3.222 3.665 . 0 0 "[ . 1 . 2]" 2
335 1 39 THR HA 1 39 THR MG . . 3.740 2.867 2.253 3.207 . 0 0 "[ . 1 . 2]" 2
336 1 25 SER H 1 25 SER HB2 . . 4.200 3.091 2.486 3.622 . 0 0 "[ . 1 . 2]" 2
337 1 20 LYS H 1 22 PHE QE . . 4.910 4.521 4.081 4.911 0.001 11 0 "[ . 1 . 2]" 2
338 1 22 PHE QE 1 31 HIS HD2 . . 3.610 3.114 2.739 3.468 . 0 0 "[ . 1 . 2]" 2
339 1 15 CYS HB3 1 22 PHE QE . . 4.200 3.269 2.973 3.694 . 0 0 "[ . 1 . 2]" 2
340 1 22 PHE QE 1 28 LEU HA . . 4.080 3.138 2.903 3.340 . 0 0 "[ . 1 . 2]" 2
341 1 22 PHE QE 1 31 HIS HB2 . . 4.030 2.686 2.126 3.194 . 0 0 "[ . 1 . 2]" 2
342 1 20 LYS HB3 1 22 PHE QE . . 4.020 2.296 2.049 2.483 . 0 0 "[ . 1 . 2]" 2
343 1 20 LYS HB2 1 22 PHE QE . . 4.020 3.852 3.619 4.018 . 0 0 "[ . 1 . 2]" 2
344 1 22 PHE QE 1 28 LEU MD1 . . 3.620 2.232 1.982 2.579 . 0 0 "[ . 1 . 2]" 2
345 1 13 TYR QD 1 25 SER HA . . 4.000 3.190 2.936 3.452 . 0 0 "[ . 1 . 2]" 2
346 1 29 ASN QB 1 32 LEU HG . . 5.500 4.899 4.560 5.270 . 0 0 "[ . 1 . 2]" 2
347 1 25 SER HA 1 28 LEU HB3 . . 3.590 2.839 2.687 2.954 . 0 0 "[ . 1 . 2]" 2
348 1 28 LEU HB3 1 29 ASN QB . . 5.220 4.499 4.142 4.866 . 0 0 "[ . 1 . 2]" 2
349 1 29 ASN QB 1 32 LEU HB2 . . 5.500 4.521 4.228 4.840 . 0 0 "[ . 1 . 2]" 2
350 1 25 SER HA 1 28 LEU HG . . 5.320 5.103 4.967 5.259 . 0 0 "[ . 1 . 2]" 2
351 1 25 SER HA 1 28 LEU HB2 . . 4.120 3.855 3.585 4.118 . 0 0 "[ . 1 . 2]" 2
352 1 25 SER HA 1 28 LEU MD2 . . 4.270 3.430 3.231 3.702 . 0 0 "[ . 1 . 2]" 2
353 1 29 ASN QB 1 32 LEU MD1 . . 4.350 3.561 3.314 3.928 . 0 0 "[ . 1 . 2]" 2
354 1 16 ASN HB2 1 17 VAL MG2 . . 5.220 4.489 3.595 4.883 . 0 0 "[ . 1 . 2]" 2
355 1 16 ASN HB3 1 17 VAL MG2 . . 5.220 4.756 3.555 5.212 . 0 0 "[ . 1 . 2]" 2
356 1 28 LEU H 1 29 ASN QB . . 4.910 4.512 4.289 4.840 . 0 0 "[ . 1 . 2]" 2
357 1 26 ALA MB 1 29 ASN QB . . 4.290 3.963 3.813 4.143 . 0 0 "[ . 1 . 2]" 2
358 1 22 PHE HZ 1 31 HIS HE1 . . 4.770 4.389 4.152 4.595 . 0 0 "[ . 1 . 2]" 2
359 1 22 PHE HZ 1 31 HIS HD2 . . 4.710 3.256 2.706 3.780 . 0 0 "[ . 1 . 2]" 2
360 1 22 PHE HZ 1 31 HIS HA . . 5.330 4.439 4.165 4.709 . 0 0 "[ . 1 . 2]" 2
361 1 22 PHE HZ 1 31 HIS HB3 . . 4.160 2.862 2.579 3.176 . 0 0 "[ . 1 . 2]" 2
362 1 22 PHE HZ 1 31 HIS HB2 . . 3.730 2.310 2.020 2.649 . 0 0 "[ . 1 . 2]" 2
363 1 20 LYS HB2 1 22 PHE HZ . . 4.750 3.935 3.538 4.474 . 0 0 "[ . 1 . 2]" 2
364 1 31 HIS HA 1 34 VAL H . . 4.390 3.721 3.524 4.148 . 0 0 "[ . 1 . 2]" 2
365 1 31 HIS HA 1 33 ARG H . . 4.420 3.759 3.617 3.964 . 0 0 "[ . 1 . 2]" 2
366 1 31 HIS HA 1 31 HIS HB2 . . 3.010 2.402 2.363 2.443 . 0 0 "[ . 1 . 2]" 2
367 1 30 GLN HB2 1 31 HIS HA . . 5.350 4.570 4.308 4.822 . 0 0 "[ . 1 . 2]" 2
368 1 30 GLN HB3 1 31 HIS HA . . 5.350 4.238 4.014 4.545 . 0 0 "[ . 1 . 2]" 2
369 1 31 HIS HA 1 33 ARG HB2 . . 4.530 4.053 3.805 4.358 . 0 0 "[ . 1 . 2]" 2
370 1 31 HIS HA 1 34 VAL MG1 . . 4.040 3.132 2.470 3.435 . 0 0 "[ . 1 . 2]" 2
371 1 31 HIS HA 1 34 VAL MG2 . . 4.230 3.563 3.152 4.074 . 0 0 "[ . 1 . 2]" 2
372 1 30 GLN HA 1 33 ARG H . . 4.530 3.864 3.611 4.039 . 0 0 "[ . 1 . 2]" 2
373 1 20 LYS HA 1 21 ALA HA . . 4.760 4.503 4.460 4.534 . 0 0 "[ . 1 . 2]" 2
374 1 35 HIS HB3 1 35 HIS HD2 . . 3.900 3.548 3.444 3.648 . 0 0 "[ . 1 . 2]" 2
375 1 35 HIS HB2 1 35 HIS HD2 . . 3.480 2.714 2.691 2.754 . 0 0 "[ . 1 . 2]" 2
376 1 30 GLN HA 1 33 ARG QD . . 3.880 3.089 2.244 3.838 . 0 0 "[ . 1 . 2]" 2
377 1 29 ASN QB 1 30 GLN HA . . 4.720 3.930 3.746 4.427 . 0 0 "[ . 1 . 2]" 2
378 1 30 GLN HA 1 30 GLN HG2 . . 4.150 2.841 2.174 3.636 . 0 0 "[ . 1 . 2]" 2
379 1 32 LEU HB3 1 35 HIS HD2 . . 4.940 4.111 3.569 4.726 . 0 0 "[ . 1 . 2]" 2
380 1 32 LEU MD2 1 35 HIS HD2 . . 3.440 2.487 2.017 2.914 . 0 0 "[ . 1 . 2]" 2
381 1 28 LEU MD1 1 35 HIS HD2 . . 5.500 5.171 4.886 5.437 . 0 0 "[ . 1 . 2]" 2
382 1 32 LEU MD1 1 35 HIS HD2 . . 5.500 5.057 4.578 5.433 . 0 0 "[ . 1 . 2]" 2
383 1 20 LYS HA 1 20 LYS HG2 . . 4.170 3.144 2.913 3.299 . 0 0 "[ . 1 . 2]" 2
384 1 34 VAL MG2 1 35 HIS HD2 . . 4.950 3.418 3.059 3.825 . 0 0 "[ . 1 . 2]" 2
385 1 17 VAL MG1 1 35 HIS HD2 . . 4.500 3.304 2.814 3.714 . 0 0 "[ . 1 . 2]" 2
386 1 33 ARG HA 1 36 THR MG . . 4.110 2.973 1.844 4.108 . 0 0 "[ . 1 . 2]" 2
387 1 17 VAL MG1 1 18 CYS HA . . 4.280 3.637 3.541 3.740 . 0 0 "[ . 1 . 2]" 2
388 1 15 CYS H 1 31 HIS HD2 . . 5.230 5.145 4.880 5.231 0.001 2 0 "[ . 1 . 2]" 2
389 1 31 HIS HD2 1 32 LEU H . . 4.510 3.706 3.491 3.995 . 0 0 "[ . 1 . 2]" 2
390 1 32 LEU HA 1 34 VAL H . . 4.510 4.147 3.351 4.480 . 0 0 "[ . 1 . 2]" 2
391 1 31 HIS HD2 1 35 HIS HD2 . . 4.330 3.632 3.225 3.938 . 0 0 "[ . 1 . 2]" 2
392 1 32 LEU HA 1 35 HIS HD2 . . 3.340 2.292 2.000 2.830 . 0 0 "[ . 1 . 2]" 2
393 1 15 CYS HA 1 31 HIS HD2 . . 4.880 4.345 4.105 4.610 . 0 0 "[ . 1 . 2]" 2
394 1 31 HIS HA 1 31 HIS HD2 . . 5.160 4.688 4.594 4.778 . 0 0 "[ . 1 . 2]" 2
395 1 31 HIS HD2 1 32 LEU HA . . 3.910 3.708 3.454 3.845 . 0 0 "[ . 1 . 2]" 2
396 1 31 HIS HB3 1 31 HIS HD2 . . 3.600 2.700 2.691 2.717 . 0 0 "[ . 1 . 2]" 2
397 1 33 ARG HA 1 33 ARG QD . . 4.190 3.267 1.987 4.190 . 0 0 "[ . 1 . 2]" 2
398 1 32 LEU HA 1 35 HIS HB2 . . 4.120 3.163 2.874 3.391 . 0 0 "[ . 1 . 2]" 2
399 1 15 CYS HB2 1 31 HIS HD2 . . 3.200 2.331 2.148 2.495 . 0 0 "[ . 1 . 2]" 2
400 1 31 HIS HD2 1 32 LEU HG . . 4.280 3.976 3.718 4.246 . 0 0 "[ . 1 . 2]" 2
401 1 32 LEU HA 1 32 LEU HG . . 3.700 3.006 2.904 3.095 . 0 0 "[ . 1 . 2]" 2
402 1 33 ARG HA 1 33 ARG HG2 . . 3.850 2.753 2.261 3.688 . 0 0 "[ . 1 . 2]" 2
403 1 33 ARG HA 1 33 ARG HG3 . . 3.850 3.224 2.530 3.815 . 0 0 "[ . 1 . 2]" 2
404 1 32 LEU HA 1 32 LEU MD1 . . 4.010 3.902 3.864 3.940 . 0 0 "[ . 1 . 2]" 2
405 1 32 LEU HA 1 34 VAL MG2 . . 4.920 3.419 3.163 3.644 . 0 0 "[ . 1 . 2]" 2
406 1 28 LEU HA 1 31 HIS H . . 4.040 3.591 3.460 3.753 . 0 0 "[ . 1 . 2]" 2
407 1 22 PHE QD 1 28 LEU HA . . 3.940 3.019 2.676 3.250 . 0 0 "[ . 1 . 2]" 2
408 1 22 PHE HB3 1 28 LEU HA . . 4.990 4.070 3.788 4.351 . 0 0 "[ . 1 . 2]" 2
409 1 27 HIS HB2 1 28 LEU HA . . 5.500 4.431 4.328 4.514 . 0 0 "[ . 1 . 2]" 2
410 1 28 LEU HA 1 31 HIS HB2 . . 3.820 3.614 3.467 3.808 . 0 0 "[ . 1 . 2]" 2
411 1 22 PHE HB2 1 28 LEU HA . . 4.610 3.650 3.479 3.846 . 0 0 "[ . 1 . 2]" 2
412 1 28 LEU HA 1 28 LEU HG . . 4.040 3.262 3.192 3.322 . 0 0 "[ . 1 . 2]" 2
413 1 28 LEU HA 1 28 LEU MD1 . . 3.110 2.236 2.070 2.426 . 0 0 "[ . 1 . 2]" 2
414 1 14 SER HA 1 22 PHE QD . . 4.220 3.161 2.517 3.671 . 0 0 "[ . 1 . 2]" 2
415 1 14 SER HA 1 22 PHE QE . . 4.950 4.114 3.286 4.727 . 0 0 "[ . 1 . 2]" 2
416 1 14 SER HA 1 21 ALA HA . . 3.060 2.042 1.991 2.178 . 0 0 "[ . 1 . 2]" 2
417 1 14 SER HA 1 15 CYS HA . . 4.880 4.355 4.342 4.380 . 0 0 "[ . 1 . 2]" 2
418 1 14 SER HA 1 21 ALA MB . . 3.690 3.438 3.136 3.614 . 0 0 "[ . 1 . 2]" 2
419 1 14 SER HA 1 28 LEU MD1 . . 4.180 3.407 3.011 3.660 . 0 0 "[ . 1 . 2]" 2
420 1 37 GLN HA 1 37 GLN QG . . 4.000 2.713 2.196 3.446 . 0 0 "[ . 1 . 2]" 2
421 1 10 GLU HA 1 11 LYS HB2 . . 4.620 4.412 4.198 4.626 0.006 20 0 "[ . 1 . 2]" 2
422 1 10 GLU HA 1 11 LYS HD2 . . 5.090 3.924 2.726 5.085 . 0 0 "[ . 1 . 2]" 2
423 1 29 ASN HA 1 32 LEU MD2 . . 4.550 4.271 3.896 4.548 . 0 0 "[ . 1 . 2]" 2
424 1 20 LYS HB2 1 21 ALA H . . 4.000 3.849 3.772 3.979 . 0 0 "[ . 1 . 2]" 2
425 1 20 LYS HB3 1 22 PHE HZ . . 4.750 3.039 2.496 3.622 . 0 0 "[ . 1 . 2]" 2
426 1 30 GLN HA 1 30 GLN HG3 . . 4.150 3.301 2.561 3.772 . 0 0 "[ . 1 . 2]" 2
427 1 29 ASN HA 1 32 LEU HB2 . . 3.660 3.125 2.683 3.250 . 0 0 "[ . 1 . 2]" 2
428 1 28 LEU HG 1 29 ASN HA . . 3.770 3.348 3.224 3.471 . 0 0 "[ . 1 . 2]" 2
429 1 26 ALA MB 1 27 HIS HA . . 4.660 3.741 3.667 3.800 . 0 0 "[ . 1 . 2]" 2
430 1 29 ASN HA 1 32 LEU MD1 . . 3.290 2.076 1.928 2.323 . 0 0 "[ . 1 . 2]" 2
431 1 11 LYS HB2 1 22 PHE H . . 4.960 3.635 3.165 4.260 . 0 0 "[ . 1 . 2]" 2
432 1 11 LYS HB2 1 23 VAL HA . . 5.500 4.845 4.468 5.257 . 0 0 "[ . 1 . 2]" 2
433 1 11 LYS HB3 1 23 VAL HA . . 4.960 3.387 2.915 3.905 . 0 0 "[ . 1 . 2]" 2
434 1 11 LYS HB2 1 11 LYS HD2 . . 3.790 3.075 2.271 3.704 . 0 0 "[ . 1 . 2]" 2
435 1 11 LYS HB2 1 11 LYS HD3 . . 3.790 2.597 2.094 3.597 . 0 0 "[ . 1 . 2]" 2
436 1 11 LYS HB2 1 12 PRO HD2 . . 4.890 4.029 3.751 4.699 . 0 0 "[ . 1 . 2]" 2
437 1 23 VAL HB 1 24 LEU HG . . 4.120 2.712 2.595 2.799 . 0 0 "[ . 1 . 2]" 2
438 1 18 CYS HB2 1 35 HIS HE1 . . 3.730 3.575 3.294 3.732 0.002 19 0 "[ . 1 . 2]" 2
439 1 17 VAL HB 1 18 CYS HB2 . . 5.500 5.291 5.225 5.352 . 0 0 "[ . 1 . 2]" 2
440 1 17 VAL HB 1 18 CYS HB3 . . 4.510 3.791 3.624 3.873 . 0 0 "[ . 1 . 2]" 2
441 1 17 VAL MG1 1 18 CYS HB2 . . 4.600 4.512 4.369 4.600 . 0 0 "[ . 1 . 2]" 2
442 1 17 VAL MG1 1 18 CYS HB3 . . 3.950 3.085 2.916 3.268 . 0 0 "[ . 1 . 2]" 2
443 1 17 VAL HB 1 19 GLY H . . 4.560 4.219 4.088 4.328 . 0 0 "[ . 1 . 2]" 2
444 1 17 VAL HB 1 35 HIS HD2 . . 4.190 2.937 2.651 3.280 . 0 0 "[ . 1 . 2]" 2
445 1 26 ALA HA 1 30 GLN H . . 4.970 4.001 3.702 4.274 . 0 0 "[ . 1 . 2]" 2
446 1 26 ALA HA 1 29 ASN QB . . 3.170 2.629 2.378 3.021 . 0 0 "[ . 1 . 2]" 2
447 1 26 ALA MB 1 27 HIS HB2 . . 5.500 4.535 4.427 4.609 . 0 0 "[ . 1 . 2]" 2
448 1 22 PHE QD 1 27 HIS HB2 . . 4.130 3.190 2.992 3.433 . 0 0 "[ . 1 . 2]" 2
449 1 27 HIS HB3 1 28 LEU H . . 4.300 3.459 3.300 3.561 . 0 0 "[ . 1 . 2]" 2
450 1 22 PHE QE 1 27 HIS HB3 . . 4.820 3.760 3.423 4.002 . 0 0 "[ . 1 . 2]" 2
451 1 22 PHE HB2 1 27 HIS HB2 . . 4.290 3.501 3.285 3.736 . 0 0 "[ . 1 . 2]" 2
452 1 22 PHE HB2 1 27 HIS HB3 . . 4.490 4.142 3.937 4.475 . 0 0 "[ . 1 . 2]" 2
453 1 24 LEU HB2 1 27 HIS HB3 . . 4.910 4.653 4.472 4.765 . 0 0 "[ . 1 . 2]" 2
454 1 24 LEU HB2 1 27 HIS HB2 . . 4.510 3.133 2.954 3.280 . 0 0 "[ . 1 . 2]" 2
455 1 34 VAL H 1 34 VAL HB . . 3.770 3.615 3.589 3.672 . 0 0 "[ . 1 . 2]" 2
456 1 15 CYS HB2 1 18 CYS H . . 4.930 4.756 4.677 4.831 . 0 0 "[ . 1 . 2]" 2
457 1 15 CYS HB3 1 20 LYS H . . 3.260 1.949 1.900 2.014 . 0 0 "[ . 1 . 2]" 2
458 1 15 CYS HB2 1 20 LYS H . . 3.720 3.653 3.558 3.718 . 0 0 "[ . 1 . 2]" 2
459 1 33 ARG H 1 33 ARG HB2 . . 3.680 2.482 2.342 2.666 . 0 0 "[ . 1 . 2]" 2
460 1 33 ARG H 1 33 ARG HB3 . . 3.610 3.584 3.565 3.602 . 0 0 "[ . 1 . 2]" 2
461 1 15 CYS HB3 1 31 HIS HD2 . . 3.910 3.551 3.360 3.777 . 0 0 "[ . 1 . 2]" 2
462 1 15 CYS HB2 1 22 PHE QE . . 3.720 2.453 2.104 2.782 . 0 0 "[ . 1 . 2]" 2
463 1 14 SER HA 1 15 CYS HB3 . . 4.510 4.492 4.449 4.522 0.012 19 0 "[ . 1 . 2]" 2
464 1 14 SER HA 1 15 CYS HB2 . . 4.640 4.623 4.562 4.645 0.005 18 0 "[ . 1 . 2]" 2
465 1 15 CYS HB3 1 21 ALA HA . . 5.500 5.091 4.724 5.390 . 0 0 "[ . 1 . 2]" 2
466 1 15 CYS HB3 1 19 GLY HA2 . . 4.610 3.927 3.620 4.142 . 0 0 "[ . 1 . 2]" 2
467 1 15 CYS HB3 1 20 LYS HA . . 5.040 4.145 4.002 4.308 . 0 0 "[ . 1 . 2]" 2
468 1 14 SER QB 1 15 CYS HB3 . . 5.070 4.850 4.603 5.066 . 0 0 "[ . 1 . 2]" 2
469 1 15 CYS HB3 1 20 LYS HB3 . . 4.420 2.440 2.171 2.625 . 0 0 "[ . 1 . 2]" 2
470 1 15 CYS HB3 1 20 LYS HB2 . . 4.420 2.914 2.587 3.246 . 0 0 "[ . 1 . 2]" 2
471 1 15 CYS HB3 1 28 LEU MD1 . . 3.970 3.763 3.529 3.951 . 0 0 "[ . 1 . 2]" 2
472 1 20 LYS HA 1 20 LYS HD3 . . 4.840 4.659 4.602 4.729 . 0 0 "[ . 1 . 2]" 2
473 1 20 LYS HD2 1 31 HIS HE1 . . 4.350 2.950 2.661 3.264 . 0 0 "[ . 1 . 2]" 2
474 1 20 LYS HA 1 20 LYS HD2 . . 4.840 4.153 3.901 4.482 . 0 0 "[ . 1 . 2]" 2
475 1 22 PHE QE 1 31 HIS HB3 . . 4.400 3.289 3.094 3.468 . 0 0 "[ . 1 . 2]" 2
476 1 30 GLN HB2 1 31 HIS HB2 . . 5.500 4.648 4.394 4.872 . 0 0 "[ . 1 . 2]" 2
477 1 30 GLN HB3 1 31 HIS HB2 . . 5.500 5.120 4.841 5.454 . 0 0 "[ . 1 . 2]" 2
478 1 31 HIS HB2 1 32 LEU HG . . 5.500 5.331 5.118 5.487 . 0 0 "[ . 1 . 2]" 2
479 1 31 HIS HB3 1 32 LEU HG . . 4.520 3.613 3.382 3.783 . 0 0 "[ . 1 . 2]" 2
480 1 28 LEU MD1 1 31 HIS HB3 . . 4.000 3.071 2.807 3.258 . 0 0 "[ . 1 . 2]" 2
481 1 28 LEU MD1 1 31 HIS HB2 . . 4.450 4.261 4.067 4.446 . 0 0 "[ . 1 . 2]" 2
482 1 32 LEU HA 1 35 HIS HB3 . . 4.880 4.736 4.397 4.881 0.001 17 0 "[ . 1 . 2]" 2
483 1 17 VAL HB 1 35 HIS HB3 . . 4.740 4.348 3.738 4.615 . 0 0 "[ . 1 . 2]" 2
484 1 28 LEU HG 1 31 HIS HD2 . . 5.490 5.169 4.556 5.470 . 0 0 "[ . 1 . 2]" 2
485 1 12 PRO HD3 1 13 TYR H . . 4.350 3.842 3.835 3.865 . 0 0 "[ . 1 . 2]" 2
486 1 12 PRO HD3 1 13 TYR QD . . 4.820 4.683 4.563 4.820 . 0 0 "[ . 1 . 2]" 2
487 1 11 LYS HA 1 12 PRO HD2 . . 3.120 2.219 1.926 2.278 . 0 0 "[ . 1 . 2]" 2
488 1 11 LYS HA 1 12 PRO HD3 . . 3.070 2.276 2.255 2.602 . 0 0 "[ . 1 . 2]" 2
489 1 12 PRO HD3 1 23 VAL HA . . 3.860 3.619 3.390 3.816 . 0 0 "[ . 1 . 2]" 2
490 1 11 LYS HB3 1 12 PRO HD2 . . 4.490 2.638 2.253 3.830 . 0 0 "[ . 1 . 2]" 2
491 1 11 LYS QG 1 12 PRO HD2 . . 4.880 2.932 2.565 4.051 . 0 0 "[ . 1 . 2]" 2
492 1 11 LYS HB3 1 12 PRO HD3 . . 4.780 3.964 3.667 4.818 0.038 20 0 "[ . 1 . 2]" 2
493 1 11 LYS QG 1 12 PRO HD3 . . 5.050 3.876 3.596 4.829 . 0 0 "[ . 1 . 2]" 2
494 1 33 ARG H 1 33 ARG HG2 . . 3.710 2.998 1.898 3.713 0.003 17 0 "[ . 1 . 2]" 2
495 1 29 ASN HA 1 32 LEU HG . . 4.290 2.912 2.471 3.271 . 0 0 "[ . 1 . 2]" 2
496 1 28 LEU HG 1 32 LEU HG . . 3.670 3.043 2.421 3.365 . 0 0 "[ . 1 . 2]" 2
497 1 31 HIS H 1 32 LEU HG . . 5.340 4.305 4.038 4.526 . 0 0 "[ . 1 . 2]" 2
498 1 13 TYR H 1 13 TYR QE . . 4.820 4.476 4.302 4.665 . 0 0 "[ . 1 . 2]" 2
499 1 22 PHE QD 1 28 LEU MD2 . . 4.670 3.733 3.379 4.030 . 0 0 "[ . 1 . 2]" 2
500 1 15 CYS HA 1 28 LEU MD2 . . 4.380 3.903 3.595 4.261 . 0 0 "[ . 1 . 2]" 2
501 1 12 PRO HD2 1 13 TYR QE . . 4.690 4.662 4.395 4.696 0.006 18 0 "[ . 1 . 2]" 2
502 1 13 TYR QE 1 25 SER HB3 . . 4.550 3.239 2.060 4.163 . 0 0 "[ . 1 . 2]" 2
503 1 13 TYR QE 1 25 SER HA . . 4.180 3.264 2.933 3.837 . 0 0 "[ . 1 . 2]" 2
504 1 13 TYR QE 1 25 SER HB2 . . 4.550 2.995 2.083 4.540 . 0 0 "[ . 1 . 2]" 2
505 1 12 PRO HG3 1 13 TYR QE . . 4.740 3.436 3.260 3.693 . 0 0 "[ . 1 . 2]" 2
506 1 12 PRO HB2 1 13 TYR QE . . 4.480 3.796 3.533 4.323 . 0 0 "[ . 1 . 2]" 2
507 1 13 TYR QE 1 24 LEU HB3 . . 5.030 4.228 4.114 4.408 . 0 0 "[ . 1 . 2]" 2
508 1 28 LEU HB2 1 28 LEU MD2 . . 3.510 2.422 2.305 2.540 . 0 0 "[ . 1 . 2]" 2
509 1 13 TYR QE 1 28 LEU MD2 . . 4.560 4.176 3.879 4.565 0.005 17 0 "[ . 1 . 2]" 2
510 1 13 TYR QE 1 24 LEU MD2 . . 4.630 3.493 3.241 3.805 . 0 0 "[ . 1 . 2]" 2
511 1 15 CYS H 1 28 LEU MD2 . . 4.910 4.834 4.540 4.909 . 0 0 "[ . 1 . 2]" 2
512 1 28 LEU HA 1 28 LEU MD2 . . 4.220 3.947 3.913 3.991 . 0 0 "[ . 1 . 2]" 2
513 1 20 LYS H 1 20 LYS HG3 . . 4.870 4.594 4.528 4.646 . 0 0 "[ . 1 . 2]" 2
514 1 20 LYS H 1 20 LYS HG2 . . 4.870 4.778 4.724 4.841 . 0 0 "[ . 1 . 2]" 2
515 1 20 LYS HA 1 20 LYS HG3 . . 4.170 2.236 2.182 2.328 . 0 0 "[ . 1 . 2]" 2
516 1 32 LEU H 1 32 LEU MD1 . . 4.380 3.476 3.353 3.596 . 0 0 "[ . 1 . 2]" 2
517 1 18 CYS HA 1 35 HIS HE1 . . 4.830 4.673 4.361 4.837 0.007 12 0 "[ . 1 . 2]" 2
518 1 18 CYS HB3 1 35 HIS HE1 . . 3.290 2.231 2.018 2.370 . 0 0 "[ . 1 . 2]" 2
519 1 34 VAL MG1 1 35 HIS HE1 . . 5.210 5.174 5.029 5.210 0.000 10 0 "[ . 1 . 2]" 2
520 1 34 VAL MG2 1 35 HIS HE1 . . 4.640 2.778 2.682 2.910 . 0 0 "[ . 1 . 2]" 2
521 1 17 VAL MG1 1 35 HIS HE1 . . 4.000 3.343 2.798 3.882 . 0 0 "[ . 1 . 2]" 2
522 1 11 LYS HA 1 11 LYS HD2 . . 4.100 3.098 2.034 3.683 . 0 0 "[ . 1 . 2]" 2
523 1 11 LYS HA 1 11 LYS HD3 . . 4.100 3.654 2.344 4.120 0.020 11 0 "[ . 1 . 2]" 2
524 1 10 GLU HA 1 11 LYS HD3 . . 5.090 4.089 3.259 5.089 . 0 0 "[ . 1 . 2]" 2
525 1 24 LEU HB3 1 24 LEU MD1 . . 3.230 2.445 2.321 2.603 . 0 0 "[ . 1 . 2]" 2
526 1 24 LEU HB2 1 24 LEU MD1 . . 3.270 2.230 2.038 2.377 . 0 0 "[ . 1 . 2]" 2
527 1 20 LYS HE3 1 31 HIS HE1 . . 5.300 3.935 2.090 5.297 . 0 0 "[ . 1 . 2]" 2
528 1 20 LYS HD3 1 31 HIS HE1 . . 4.350 3.792 3.287 4.339 . 0 0 "[ . 1 . 2]" 2
529 1 31 HIS HE1 1 34 VAL MG1 . . 4.190 3.855 3.624 4.148 . 0 0 "[ . 1 . 2]" 2
530 1 31 HIS HE1 1 34 VAL MG2 . . 3.700 2.853 2.423 3.213 . 0 0 "[ . 1 . 2]" 2
531 1 31 HIS HD2 1 32 LEU MD2 . . 3.670 3.284 2.948 3.646 . 0 0 "[ . 1 . 2]" 2
532 1 15 CYS HA 1 32 LEU MD2 . . 3.990 3.597 2.864 3.957 . 0 0 "[ . 1 . 2]" 2
533 1 32 LEU HA 1 32 LEU MD2 . . 3.060 2.177 1.999 2.383 . 0 0 "[ . 1 . 2]" 2
534 1 15 CYS HB3 1 32 LEU MD2 . . 5.280 4.948 4.504 5.280 . 8 0 "[ . 1 . 2]" 2
535 1 32 LEU MD2 1 35 HIS HB3 . . 5.500 4.660 4.205 5.167 . 0 0 "[ . 1 . 2]" 2
536 1 32 LEU MD2 1 35 HIS HB2 . . 4.260 3.567 2.894 4.103 . 0 0 "[ . 1 . 2]" 2
537 1 32 LEU HB3 1 32 LEU MD2 . . 3.280 2.254 2.128 2.360 . 0 0 "[ . 1 . 2]" 2
538 1 17 VAL MG2 1 32 LEU MD2 . . 4.020 2.789 2.314 3.354 . 0 0 "[ . 1 . 2]" 2
539 1 24 LEU HG 1 27 HIS HE1 . . 4.650 3.609 3.144 4.217 . 0 0 "[ . 1 . 2]" 2
540 1 24 LEU MD1 1 27 HIS HE1 . . 3.890 2.480 1.984 3.051 . 0 0 "[ . 1 . 2]" 2
541 1 11 LYS QG 1 23 VAL HA . . 4.470 2.752 2.006 3.728 . 0 0 "[ . 1 . 2]" 2
542 1 12 PRO HG2 1 13 TYR QE . . 4.740 2.766 2.662 2.914 . 0 0 "[ . 1 . 2]" 2
543 1 15 CYS HB2 1 20 LYS HB2 . . 4.670 3.896 3.537 4.273 . 0 0 "[ . 1 . 2]" 2
544 1 15 CYS HB2 1 32 LEU MD2 . . 4.520 3.688 3.255 4.145 . 0 0 "[ . 1 . 2]" 2
545 1 15 CYS HB2 1 20 LYS HB3 . . 4.670 2.930 2.610 3.389 . 0 0 "[ . 1 . 2]" 2
546 1 24 LEU H 1 24 LEU MD2 . . 4.490 3.643 3.490 3.766 . 0 0 "[ . 1 . 2]" 2
547 1 23 VAL HB 1 27 HIS HE1 . . 4.830 4.292 3.846 4.564 . 0 0 "[ . 1 . 2]" 2
548 1 28 LEU MD2 1 29 ASN H . . 4.680 4.047 3.881 4.242 . 0 0 "[ . 1 . 2]" 2
549 1 27 HIS HA 1 30 GLN HB2 . . 4.740 2.984 2.736 3.149 . 0 0 "[ . 1 . 2]" 2
550 1 27 HIS HA 1 30 GLN HB3 . . 4.740 4.551 4.249 4.741 0.001 9 0 "[ . 1 . 2]" 2
551 1 31 HIS HE1 1 34 VAL HB . . 5.500 5.103 4.431 5.499 . 0 0 "[ . 1 . 2]" 2
552 1 17 VAL HB 1 35 HIS HE1 . . 4.910 4.073 3.735 4.413 . 0 0 "[ . 1 . 2]" 2
553 1 38 GLU HA 1 39 THR MG . . 3.780 3.650 3.420 3.778 . 0 0 "[ . 1 . 2]" 2
554 1 10 GLU H 1 10 GLU QB . . 3.560 2.597 2.124 3.293 . 0 0 "[ . 1 . 2]" 2
555 1 10 GLU H 1 10 GLU QG . . 4.600 3.252 2.078 4.284 . 0 0 "[ . 1 . 2]" 2
556 1 10 GLU HA 1 11 LYS QD . . 4.480 3.396 2.656 4.084 . 0 0 "[ . 1 . 2]" 2
557 1 10 GLU QB 1 11 LYS H . . 4.050 3.166 2.450 3.900 . 0 0 "[ . 1 . 2]" 2
558 1 11 LYS H 1 11 LYS QD . . 3.740 2.449 1.874 3.283 . 0 0 "[ . 1 . 2]" 2
559 1 11 LYS HA 1 11 LYS QD . . 3.520 2.885 1.917 3.297 . 0 0 "[ . 1 . 2]" 2
560 1 11 LYS HA 1 12 PRO QG . . 4.750 3.898 3.793 3.929 . 0 0 "[ . 1 . 2]" 2
561 1 11 LYS HB2 1 11 LYS QD . . 3.160 2.336 2.063 3.233 0.073 16 0 "[ . 1 . 2]" 2
562 1 12 PRO QG 1 13 TYR H . . 3.940 2.384 2.143 2.636 . 0 0 "[ . 1 . 2]" 2
563 1 12 PRO QG 1 13 TYR QD . . 3.740 2.074 1.986 2.306 . 0 0 "[ . 1 . 2]" 2
564 1 12 PRO QG 1 13 TYR QE . . 3.870 2.657 2.563 2.793 . 0 0 "[ . 1 . 2]" 2
565 1 12 PRO QG 1 23 VAL HA . . 4.650 3.164 2.858 3.674 . 0 0 "[ . 1 . 2]" 2
566 1 13 TYR HB3 1 25 SER QB . . 5.340 5.277 4.909 5.347 0.007 17 0 "[ . 1 . 2]" 2
567 1 13 TYR QD 1 25 SER QB . . 4.840 3.795 3.557 4.363 . 0 0 "[ . 1 . 2]" 2
568 1 13 TYR QE 1 25 SER QB . . 3.910 2.466 2.027 3.852 . 0 0 "[ . 1 . 2]" 2
569 1 15 CYS H 1 20 LYS QB . . 5.040 3.216 2.748 3.452 . 0 0 "[ . 1 . 2]" 2
570 1 16 ASN QB 1 17 VAL H . . 4.130 3.825 2.896 4.065 . 0 0 "[ . 1 . 2]" 2
571 1 16 ASN QB 1 17 VAL MG2 . . 4.590 4.052 3.466 4.376 . 0 0 "[ . 1 . 2]" 2
572 1 16 ASN QD 1 17 VAL MG2 . . 4.570 3.733 2.086 4.190 . 0 0 "[ . 1 . 2]" 2
573 1 20 LYS H 1 20 LYS QB . . 2.830 2.630 2.506 2.725 . 0 0 "[ . 1 . 2]" 2
574 1 20 LYS H 1 20 LYS QG . . 4.280 4.169 4.118 4.207 . 0 0 "[ . 1 . 2]" 2
575 1 20 LYS HA 1 20 LYS QG . . 3.460 2.191 2.146 2.252 . 0 0 "[ . 1 . 2]" 2
576 1 20 LYS HA 1 20 LYS QE . . 4.880 4.058 3.296 4.663 . 0 0 "[ . 1 . 2]" 2
577 1 20 LYS QB 1 20 LYS QD . . 3.320 2.109 2.029 2.286 . 0 0 "[ . 1 . 2]" 2
578 1 20 LYS QB 1 20 LYS QE . . 4.410 3.126 1.992 3.679 . 0 0 "[ . 1 . 2]" 2
579 1 20 LYS QB 1 21 ALA H . . 3.460 2.959 2.780 3.209 . 0 0 "[ . 1 . 2]" 2
580 1 20 LYS QB 1 22 PHE HZ . . 3.940 2.939 2.453 3.476 . 0 0 "[ . 1 . 2]" 2
581 1 20 LYS QB 1 31 HIS HE1 . . 4.620 3.868 3.508 4.122 . 0 0 "[ . 1 . 2]" 2
582 1 20 LYS QE 1 20 LYS QG . . 3.280 2.249 2.052 2.588 . 0 0 "[ . 1 . 2]" 2
583 1 20 LYS QG 1 21 ALA H . . 3.460 1.928 1.835 2.109 . 0 0 "[ . 1 . 2]" 2
584 1 20 LYS QG 1 22 PHE HZ . . 4.160 3.059 2.819 3.401 . 0 0 "[ . 1 . 2]" 2
585 1 20 LYS QD 1 22 PHE QD . . 4.760 4.531 4.161 4.736 . 0 0 "[ . 1 . 2]" 2
586 1 20 LYS QD 1 22 PHE HZ . . 3.640 2.059 1.969 2.282 . 0 0 "[ . 1 . 2]" 2
587 1 20 LYS QD 1 31 HIS HE1 . . 3.670 2.841 2.576 3.106 . 0 0 "[ . 1 . 2]" 2
588 1 20 LYS QE 1 22 PHE QE . . 4.950 4.175 3.422 4.584 . 0 0 "[ . 1 . 2]" 2
589 1 20 LYS QE 1 31 HIS HE1 . . 4.630 3.543 2.065 4.471 . 0 0 "[ . 1 . 2]" 2
590 1 24 LEU HB3 1 25 SER QB . . 5.340 4.373 4.033 4.774 . 0 0 "[ . 1 . 2]" 2
591 1 25 SER H 1 25 SER QB . . 3.610 2.443 2.221 2.700 . 0 0 "[ . 1 . 2]" 2
592 1 25 SER QB 1 26 ALA MB . . 5.340 4.175 3.778 4.585 . 0 0 "[ . 1 . 2]" 2
593 1 25 SER QB 1 28 LEU HB3 . . 5.210 4.406 4.039 4.762 . 0 0 "[ . 1 . 2]" 2
594 1 26 ALA HA 1 29 ASN QD . . 4.100 2.918 1.894 3.623 . 0 0 "[ . 1 . 2]" 2
595 1 26 ALA MB 1 29 ASN QD . . 4.860 4.046 3.259 4.670 . 0 0 "[ . 1 . 2]" 2
596 1 27 HIS HA 1 30 GLN QB . . 3.930 2.946 2.705 3.105 . 0 0 "[ . 1 . 2]" 2
597 1 27 HIS HA 1 30 GLN QG . . 4.730 3.660 3.261 4.144 . 0 0 "[ . 1 . 2]" 2
598 1 27 HIS HD2 1 30 GLN QB . . 5.340 4.393 4.099 4.649 . 0 0 "[ . 1 . 2]" 2
599 1 29 ASN QB 1 30 GLN QB . . 5.180 4.294 4.125 4.552 . 0 0 "[ . 1 . 2]" 2
600 1 30 GLN H 1 30 GLN QB . . 2.960 2.325 2.188 2.478 . 0 0 "[ . 1 . 2]" 2
601 1 30 GLN H 1 30 GLN QG . . 4.460 2.619 2.133 3.484 . 0 0 "[ . 1 . 2]" 2
602 1 30 GLN HA 1 33 ARG QG . . 3.840 2.601 2.098 3.528 . 0 0 "[ . 1 . 2]" 2
603 1 30 GLN QB 1 31 HIS H . . 3.830 2.749 2.562 3.031 . 0 0 "[ . 1 . 2]" 2
604 1 30 GLN QB 1 31 HIS HA . . 4.640 3.893 3.796 4.012 . 0 0 "[ . 1 . 2]" 2
605 1 30 GLN QB 1 33 ARG QD . . 5.340 4.316 3.254 5.327 . 0 0 "[ . 1 . 2]" 2
606 1 30 GLN QG 1 31 HIS H . . 5.090 4.341 4.091 4.764 . 0 0 "[ . 1 . 2]" 2
607 1 33 ARG HA 1 33 ARG QG . . 3.290 2.499 2.206 2.982 . 0 0 "[ . 1 . 2]" 2
608 1 33 ARG QG 1 34 VAL H . . 4.950 4.131 3.865 4.623 . 0 0 "[ . 1 . 2]" 2
609 1 36 THR MG 1 37 GLN QB . . 4.560 3.327 2.293 4.556 . 0 0 "[ . 1 . 2]" 2
610 1 38 GLU H 1 38 GLU QB . . 3.690 2.432 2.217 3.141 . 0 0 "[ . 1 . 2]" 2
611 1 38 GLU H 1 38 GLU QG . . 4.570 3.297 1.979 4.116 . 0 0 "[ . 1 . 2]" 2
612 1 40 LEU HA 1 40 LEU QD . . 4.180 2.550 1.906 3.403 . 0 0 "[ . 1 . 2]" 2
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