NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507518 |
2emv   |
10224 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2emv
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 42
_Distance_constraint_stats_list.Viol_total 0.946
_Distance_constraint_stats_list.Viol_max 0.004
_Distance_constraint_stats_list.Viol_rms 0.0006
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0011
_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 0.002 6 0 "[ . 1 . 2]"
1 18 CYS 0.015 0.004 18 0 "[ . 1 . 2]"
1 31 HIS 0.000 0.000 18 0 "[ . 1 . 2]"
1 35 HIS 0.015 0.003 18 0 "[ . 1 . 2]"
2 1 ZN 0.047 0.004 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 CYS SG 2 1 ZN ZN . 2.330 2.370 2.359 2.329 2.372 0.002 6 0 "[ . 1 . 2]" 1
2 1 18 CYS SG 2 1 ZN ZN . 2.330 2.370 2.340 2.327 2.370 0.003 3 0 "[ . 1 . 2]" 1
3 1 31 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.347 2.330 2.370 0.000 18 0 "[ . 1 . 2]" 1
4 1 35 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.332 2.327 2.364 0.003 18 0 "[ . 1 . 2]" 1
5 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.255 3.248 3.332 0.002 9 0 "[ . 1 . 2]" 1
6 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.498 3.448 3.514 0.004 18 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.200 4.000 3.861 3.663 3.984 . 0 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.200 4.000 3.869 3.567 3.992 . 0 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.200 4.000 3.895 3.643 3.994 . 0 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.200 4.000 3.645 3.366 3.877 . 0 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.200 4.000 3.883 3.807 3.980 . 0 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.200 4.000 3.775 3.560 3.962 . 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 700
_Distance_constraint_stats_list.Viol_count 323
_Distance_constraint_stats_list.Viol_total 68.344
_Distance_constraint_stats_list.Viol_max 0.098
_Distance_constraint_stats_list.Viol_rms 0.0025
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0106
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ARG 0.004 0.004 9 0 "[ . 1 . 2]"
1 10 GLU 0.013 0.007 19 0 "[ . 1 . 2]"
1 11 LYS 0.122 0.012 9 0 "[ . 1 . 2]"
1 12 PRO 0.042 0.009 3 0 "[ . 1 . 2]"
1 13 TYR 0.484 0.035 19 0 "[ . 1 . 2]"
1 14 GLU 1.367 0.059 18 0 "[ . 1 . 2]"
1 15 CYS 0.138 0.015 11 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 0.244 0.018 18 0 "[ . 1 . 2]"
1 18 CYS 0.203 0.018 18 0 "[ . 1 . 2]"
1 19 GLY 0.812 0.059 18 0 "[ . 1 . 2]"
1 20 LYS 0.231 0.098 19 0 "[ . 1 . 2]"
1 21 ALA 0.623 0.047 10 0 "[ . 1 . 2]"
1 22 PHE 0.655 0.098 19 0 "[ . 1 . 2]"
1 23 ILE 0.298 0.044 14 0 "[ . 1 . 2]"
1 24 ARG 0.224 0.044 14 0 "[ . 1 . 2]"
1 25 ASN 0.037 0.010 17 0 "[ . 1 . 2]"
1 26 SER 0.010 0.010 17 0 "[ . 1 . 2]"
1 27 GLN 0.179 0.020 14 0 "[ . 1 . 2]"
1 28 LEU 0.178 0.024 1 0 "[ . 1 . 2]"
1 29 ILE 0.165 0.021 17 0 "[ . 1 . 2]"
1 30 VAL 0.014 0.005 3 0 "[ . 1 . 2]"
1 31 HIS 0.060 0.014 5 0 "[ . 1 . 2]"
1 32 GLN 0.063 0.010 20 0 "[ . 1 . 2]"
1 33 ARG 0.063 0.029 9 0 "[ . 1 . 2]"
1 34 THR 0.047 0.014 5 0 "[ . 1 . 2]"
1 35 HIS 0.078 0.009 3 0 "[ . 1 . 2]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 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 32 GLN HB3 1 32 GLN HE22 . . 4.750 4.157 4.006 4.305 . 0 0 "[ . 1 . 2]" 2
2 1 25 ASN HD22 1 29 ILE MG . . 4.990 4.880 4.730 4.984 . 0 0 "[ . 1 . 2]" 2
3 1 15 CYS HA 1 32 GLN HE22 . . 4.600 4.080 3.474 4.600 0.000 5 0 "[ . 1 . 2]" 2
4 1 15 CYS HA 1 32 GLN HE21 . . 4.600 3.039 2.547 3.537 . 0 0 "[ . 1 . 2]" 2
5 1 27 GLN HA 1 27 GLN HE21 . . 5.500 4.796 4.237 5.014 . 0 0 "[ . 1 . 2]" 2
6 1 25 ASN HD21 1 26 SER HA . . 4.780 3.889 3.684 4.205 . 0 0 "[ . 1 . 2]" 2
7 1 25 ASN HD22 1 26 SER HA . . 5.500 5.309 5.151 5.510 0.010 17 0 "[ . 1 . 2]" 2
8 1 25 ASN HA 1 25 ASN HD21 . . 4.340 2.338 2.085 2.563 . 0 0 "[ . 1 . 2]" 2
9 1 25 ASN HB3 1 25 ASN HD21 . . 3.240 2.847 2.739 2.963 . 0 0 "[ . 1 . 2]" 2
10 1 25 ASN HB3 1 25 ASN HD22 . . 3.900 3.744 3.695 3.799 . 0 0 "[ . 1 . 2]" 2
11 1 38 GLU H 1 38 GLU QG . . 4.160 3.405 1.885 4.156 . 0 0 "[ . 1 . 2]" 2
12 1 32 GLN HB3 1 32 GLN HE21 . . 4.750 3.672 3.388 4.036 . 0 0 "[ . 1 . 2]" 2
13 1 25 ASN HD21 1 29 ILE HB . . 5.070 4.106 4.015 4.246 . 0 0 "[ . 1 . 2]" 2
14 1 28 LEU HG 1 32 GLN HE22 . . 4.530 4.332 3.901 4.526 . 0 0 "[ . 1 . 2]" 2
15 1 28 LEU HG 1 32 GLN HE21 . . 4.530 4.238 3.680 4.505 . 0 0 "[ . 1 . 2]" 2
16 1 25 ASN HD22 1 29 ILE HG13 . . 4.320 2.505 2.268 2.694 . 0 0 "[ . 1 . 2]" 2
17 1 25 ASN HD21 1 29 ILE HG13 . . 4.320 1.938 1.894 2.019 . 0 0 "[ . 1 . 2]" 2
18 1 25 ASN HD22 1 29 ILE HG12 . . 4.600 3.161 3.030 3.322 . 0 0 "[ . 1 . 2]" 2
19 1 25 ASN HD21 1 28 LEU MD2 . . 4.740 3.490 3.166 3.722 . 0 0 "[ . 1 . 2]" 2
20 1 25 ASN HD22 1 28 LEU MD2 . . 4.520 3.127 2.778 3.451 . 0 0 "[ . 1 . 2]" 2
21 1 25 ASN HD21 1 29 ILE MG . . 5.290 4.726 4.657 4.812 . 0 0 "[ . 1 . 2]" 2
22 1 25 ASN HD21 1 29 ILE MD . . 3.600 2.495 2.164 2.797 . 0 0 "[ . 1 . 2]" 2
23 1 25 ASN HD22 1 29 ILE MD . . 3.580 2.857 2.642 3.074 . 0 0 "[ . 1 . 2]" 2
24 1 27 GLN HA 1 27 GLN HE22 . . 5.500 5.161 4.991 5.520 0.020 14 0 "[ . 1 . 2]" 2
25 1 25 ASN HA 1 25 ASN HD22 . . 4.740 3.458 3.350 3.556 . 0 0 "[ . 1 . 2]" 2
26 1 24 ARG QG 1 27 GLN HE22 . . 4.890 4.811 4.581 4.891 0.001 4 0 "[ . 1 . 2]" 2
27 1 24 ARG QG 1 27 GLN HE21 . . 4.890 3.791 3.156 4.600 . 0 0 "[ . 1 . 2]" 2
28 1 25 ASN HD21 1 29 ILE HG12 . . 4.830 3.414 3.330 3.538 . 0 0 "[ . 1 . 2]" 2
29 1 23 ILE MD 1 27 GLN HE22 . . 5.270 4.490 3.411 5.273 0.003 10 0 "[ . 1 . 2]" 2
30 1 10 GLU H 1 11 LYS H . . 3.820 2.516 1.920 3.294 . 0 0 "[ . 1 . 2]" 2
31 1 9 ARG HA 1 11 LYS H . . 4.070 3.779 2.956 4.074 0.004 9 0 "[ . 1 . 2]" 2
32 1 11 LYS H 1 12 PRO QD . . 4.490 4.285 4.171 4.379 . 0 0 "[ . 1 . 2]" 2
33 1 10 GLU HG2 1 11 LYS H . . 5.500 4.399 2.776 5.185 . 0 0 "[ . 1 . 2]" 2
34 1 10 GLU HG3 1 11 LYS H . . 5.500 4.505 2.106 5.503 0.003 13 0 "[ . 1 . 2]" 2
35 1 10 GLU HB2 1 11 LYS H . . 4.690 3.665 2.477 4.577 . 0 0 "[ . 1 . 2]" 2
36 1 11 LYS H 1 11 LYS HB2 . . 2.980 2.269 2.164 2.625 . 0 0 "[ . 1 . 2]" 2
37 1 11 LYS H 1 11 LYS HB3 . . 3.640 3.525 3.470 3.651 0.011 3 0 "[ . 1 . 2]" 2
38 1 11 LYS H 1 21 ALA MB . . 3.700 3.225 2.649 3.524 . 0 0 "[ . 1 . 2]" 2
39 1 23 ILE MD 1 27 GLN HE21 . . 5.270 4.183 3.231 5.236 . 0 0 "[ . 1 . 2]" 2
40 1 32 GLN H 1 34 THR H . . 4.450 4.364 4.267 4.447 . 0 0 "[ . 1 . 2]" 2
41 1 32 GLN H 1 35 HIS HD2 . . 5.230 4.994 4.864 5.146 . 0 0 "[ . 1 . 2]" 2
42 1 32 GLN H 1 32 GLN HA . . 2.930 2.857 2.771 2.902 . 0 0 "[ . 1 . 2]" 2
43 1 30 VAL HA 1 32 GLN H . . 4.550 4.180 3.951 4.554 0.004 5 0 "[ . 1 . 2]" 2
44 1 28 LEU HA 1 32 GLN H . . 4.630 4.513 4.243 4.639 0.009 1 0 "[ . 1 . 2]" 2
45 1 31 HIS HB3 1 32 GLN H . . 3.140 2.970 2.607 3.150 0.010 20 0 "[ . 1 . 2]" 2
46 1 32 GLN H 1 32 GLN HB2 . . 2.860 2.414 2.349 2.514 . 0 0 "[ . 1 . 2]" 2
47 1 32 GLN H 1 32 GLN HB3 . . 3.650 3.596 3.580 3.615 . 0 0 "[ . 1 . 2]" 2
48 1 32 GLN H 1 33 ARG HG3 . . 4.240 3.958 3.663 4.240 0.000 3 0 "[ . 1 . 2]" 2
49 1 28 LEU HG 1 32 GLN H . . 4.640 4.399 4.171 4.573 . 0 0 "[ . 1 . 2]" 2
50 1 28 LEU MD1 1 32 GLN H . . 3.890 3.677 3.489 3.890 0.000 6 0 "[ . 1 . 2]" 2
51 1 29 ILE MG 1 32 GLN H . . 4.750 4.201 3.983 4.508 . 0 0 "[ . 1 . 2]" 2
52 1 37 GLY H 1 38 GLU H . . 5.200 3.463 2.175 4.631 . 0 0 "[ . 1 . 2]" 2
53 1 39 SER QB 1 40 GLY H . . 4.990 3.403 2.320 4.049 . 0 0 "[ . 1 . 2]" 2
54 1 16 SER H 1 28 LEU MD2 . . 5.500 3.864 3.416 4.109 . 0 0 "[ . 1 . 2]" 2
55 1 16 SER H 1 28 LEU MD1 . . 5.500 3.451 3.167 3.709 . 0 0 "[ . 1 . 2]" 2
56 1 31 HIS H 1 32 GLN H . . 3.030 2.480 2.362 2.629 . 0 0 "[ . 1 . 2]" 2
57 1 22 PHE HZ 1 31 HIS H . . 5.070 4.556 4.316 4.798 . 0 0 "[ . 1 . 2]" 2
58 1 27 GLN HA 1 31 HIS H . . 4.980 4.816 4.538 4.963 . 0 0 "[ . 1 . 2]" 2
59 1 29 ILE HA 1 31 HIS H . . 4.710 4.214 4.130 4.303 . 0 0 "[ . 1 . 2]" 2
60 1 28 LEU HA 1 31 HIS H . . 3.580 3.417 3.305 3.495 . 0 0 "[ . 1 . 2]" 2
61 1 31 HIS H 1 31 HIS HB3 . . 2.670 2.383 2.355 2.420 . 0 0 "[ . 1 . 2]" 2
62 1 31 HIS H 1 31 HIS HB2 . . 2.790 2.743 2.671 2.788 . 0 0 "[ . 1 . 2]" 2
63 1 31 HIS H 1 32 GLN HB2 . . 4.790 4.614 4.487 4.797 0.007 3 0 "[ . 1 . 2]" 2
64 1 28 LEU HB3 1 31 HIS H . . 5.500 5.459 5.377 5.504 0.004 5 0 "[ . 1 . 2]" 2
65 1 30 VAL HB 1 31 HIS H . . 2.940 2.708 2.631 2.811 . 0 0 "[ . 1 . 2]" 2
66 1 29 ILE HB 1 31 HIS H . . 4.960 4.839 4.686 4.902 . 0 0 "[ . 1 . 2]" 2
67 1 31 HIS H 1 34 THR MG . . 5.450 5.333 5.010 5.464 0.014 5 0 "[ . 1 . 2]" 2
68 1 27 GLN H 1 30 VAL MG2 . . 4.950 4.576 4.441 4.810 . 0 0 "[ . 1 . 2]" 2
69 1 28 LEU MD1 1 31 HIS H . . 4.510 4.033 3.814 4.272 . 0 0 "[ . 1 . 2]" 2
70 1 30 VAL MG2 1 31 HIS H . . 4.750 3.890 3.832 4.009 . 0 0 "[ . 1 . 2]" 2
71 1 30 VAL MG1 1 31 HIS H . . 3.680 3.515 3.394 3.608 . 0 0 "[ . 1 . 2]" 2
72 1 27 GLN H 1 29 ILE H . . 4.390 4.372 4.298 4.396 0.006 1 0 "[ . 1 . 2]" 2
73 1 27 GLN H 1 28 LEU HA . . 5.320 5.292 5.234 5.335 0.015 3 0 "[ . 1 . 2]" 2
74 1 22 PHE HB2 1 27 GLN H . . 5.280 5.102 4.983 5.241 . 0 0 "[ . 1 . 2]" 2
75 1 27 GLN H 1 27 GLN HG3 . . 3.470 2.898 2.233 3.247 . 0 0 "[ . 1 . 2]" 2
76 1 27 GLN H 1 27 GLN HG2 . . 3.470 2.263 2.014 2.719 . 0 0 "[ . 1 . 2]" 2
77 1 27 GLN H 1 28 LEU HB3 . . 4.840 4.617 4.525 4.734 . 0 0 "[ . 1 . 2]" 2
78 1 27 GLN H 1 27 GLN HB2 . . 3.070 2.608 2.553 2.701 . 0 0 "[ . 1 . 2]" 2
79 1 24 ARG HB2 1 27 GLN H . . 3.240 2.936 2.830 3.112 . 0 0 "[ . 1 . 2]" 2
80 1 27 GLN H 1 29 ILE HG13 . . 5.500 5.403 5.202 5.506 0.006 5 0 "[ . 1 . 2]" 2
81 1 27 GLN H 1 28 LEU HB2 . . 5.460 5.366 5.272 5.453 . 0 0 "[ . 1 . 2]" 2
82 1 13 TYR H 1 23 ILE H . . 5.500 5.407 5.225 5.512 0.012 9 0 "[ . 1 . 2]" 2
83 1 29 ILE H 1 31 HIS H . . 4.440 4.235 4.117 4.303 . 0 0 "[ . 1 . 2]" 2
84 1 22 PHE QD 1 23 ILE H . . 4.210 4.007 3.811 4.237 0.027 19 0 "[ . 1 . 2]" 2
85 1 25 ASN HD21 1 29 ILE H . . 3.200 2.716 2.499 2.864 . 0 0 "[ . 1 . 2]" 2
86 1 13 TYR QD 1 23 ILE H . . 5.090 4.280 4.056 4.425 . 0 0 "[ . 1 . 2]" 2
87 1 23 ILE H 1 28 LEU H . . 5.500 5.479 5.327 5.524 0.024 1 0 "[ . 1 . 2]" 2
88 1 12 PRO QD 1 23 ILE H . . 4.880 4.629 4.334 4.889 0.009 3 0 "[ . 1 . 2]" 2
89 1 22 PHE HB3 1 23 ILE H . . 3.160 2.506 2.243 2.811 . 0 0 "[ . 1 . 2]" 2
90 1 13 TYR HB2 1 23 ILE H . . 4.750 4.519 4.335 4.755 0.005 2 0 "[ . 1 . 2]" 2
91 1 22 PHE HB2 1 23 ILE H . . 3.790 3.552 3.322 3.797 0.007 17 0 "[ . 1 . 2]" 2
92 1 23 ILE H 1 27 GLN HB3 . . 5.440 4.246 3.915 4.541 . 0 0 "[ . 1 . 2]" 2
93 1 25 ASN HB3 1 29 ILE H . . 5.500 5.080 4.937 5.155 . 0 0 "[ . 1 . 2]" 2
94 1 29 ILE H 1 32 GLN HB2 . . 5.500 5.030 4.726 5.363 . 0 0 "[ . 1 . 2]" 2
95 1 23 ILE H 1 23 ILE HB . . 2.940 2.540 2.463 2.602 . 0 0 "[ . 1 . 2]" 2
96 1 27 GLN HB2 1 29 ILE H . . 5.490 5.154 5.055 5.254 . 0 0 "[ . 1 . 2]" 2
97 1 29 ILE H 1 30 VAL HB . . 5.250 5.154 5.050 5.235 . 0 0 "[ . 1 . 2]" 2
98 1 11 LYS QD 1 23 ILE H . . 4.920 4.683 3.564 4.932 0.012 9 0 "[ . 1 . 2]" 2
99 1 23 ILE H 1 23 ILE MD . . 3.970 2.938 1.842 3.627 . 0 0 "[ . 1 . 2]" 2
100 1 29 ILE H 1 32 GLN H . . 4.790 4.725 4.608 4.786 . 0 0 "[ . 1 . 2]" 2
101 1 26 SER HA 1 29 ILE H . . 4.090 3.828 3.592 4.035 . 0 0 "[ . 1 . 2]" 2
102 1 25 ASN HA 1 29 ILE H . . 4.190 3.964 3.730 4.124 . 0 0 "[ . 1 . 2]" 2
103 1 29 ILE H 1 31 HIS HB3 . . 5.400 5.222 5.066 5.315 . 0 0 "[ . 1 . 2]" 2
104 1 13 TYR HB3 1 29 ILE H . . 5.500 5.504 5.482 5.521 0.021 17 0 "[ . 1 . 2]" 2
105 1 28 LEU HB3 1 29 ILE H . . 3.030 2.437 2.360 2.522 . 0 0 "[ . 1 . 2]" 2
106 1 29 ILE H 1 29 ILE HB . . 2.690 2.635 2.586 2.663 . 0 0 "[ . 1 . 2]" 2
107 1 29 ILE H 1 29 ILE HG13 . . 2.860 1.946 1.905 2.021 . 0 0 "[ . 1 . 2]" 2
108 1 28 LEU HB2 1 29 ILE H . . 3.950 3.847 3.800 3.905 . 0 0 "[ . 1 . 2]" 2
109 1 29 ILE H 1 29 ILE HG12 . . 3.510 3.390 3.309 3.472 . 0 0 "[ . 1 . 2]" 2
110 1 28 LEU MD2 1 29 ILE H . . 4.220 3.854 3.687 4.011 . 0 0 "[ . 1 . 2]" 2
111 1 28 LEU MD1 1 29 ILE H . . 4.610 4.012 3.877 4.164 . 0 0 "[ . 1 . 2]" 2
112 1 29 ILE H 1 29 ILE MD . . 3.590 3.339 3.269 3.460 . 0 0 "[ . 1 . 2]" 2
113 1 34 THR H 1 35 HIS HD2 . . 5.220 4.997 4.737 5.186 . 0 0 "[ . 1 . 2]" 2
114 1 13 TYR H 1 21 ALA HA . . 5.210 5.151 5.027 5.237 0.027 13 0 "[ . 1 . 2]" 2
115 1 34 THR H 1 34 THR HB . . 3.720 2.893 2.513 3.629 . 0 0 "[ . 1 . 2]" 2
116 1 32 GLN HA 1 34 THR H . . 4.210 3.967 3.794 4.055 . 0 0 "[ . 1 . 2]" 2
117 1 34 THR H 1 35 HIS HB2 . . 4.550 4.460 4.329 4.559 0.009 3 0 "[ . 1 . 2]" 2
118 1 32 GLN HB3 1 34 THR H . . 5.500 5.432 5.283 5.504 0.004 13 0 "[ . 1 . 2]" 2
119 1 33 ARG HG2 1 34 THR H . . 5.000 4.889 4.761 4.959 . 0 0 "[ . 1 . 2]" 2
120 1 34 THR H 1 34 THR MG . . 2.800 2.045 1.930 2.252 . 0 0 "[ . 1 . 2]" 2
121 1 13 TYR H 1 22 PHE H . . 3.570 3.482 3.363 3.561 . 0 0 "[ . 1 . 2]" 2
122 1 13 TYR H 1 14 GLU H . . 4.720 4.548 4.495 4.599 . 0 0 "[ . 1 . 2]" 2
123 1 13 TYR H 1 22 PHE QD . . 5.450 5.162 4.818 5.382 . 0 0 "[ . 1 . 2]" 2
124 1 13 TYR H 1 13 TYR QD . . 3.010 2.429 2.235 2.551 . 0 0 "[ . 1 . 2]" 2
125 1 13 TYR H 1 13 TYR QE . . 4.600 4.307 4.182 4.443 . 0 0 "[ . 1 . 2]" 2
126 1 13 TYR H 1 14 GLU HA . . 5.500 5.410 5.326 5.505 0.005 13 0 "[ . 1 . 2]" 2
127 1 12 PRO QD 1 13 TYR H . . 3.340 2.678 2.612 2.715 . 0 0 "[ . 1 . 2]" 2
128 1 13 TYR H 1 22 PHE HB3 . . 5.500 5.513 5.503 5.535 0.035 19 0 "[ . 1 . 2]" 2
129 1 13 TYR H 1 13 TYR HB3 . . 3.880 3.607 3.591 3.633 . 0 0 "[ . 1 . 2]" 2
130 1 13 TYR H 1 13 TYR HB2 . . 2.890 2.470 2.418 2.506 . 0 0 "[ . 1 . 2]" 2
131 1 13 TYR H 1 22 PHE HB2 . . 4.610 4.256 4.189 4.338 . 0 0 "[ . 1 . 2]" 2
132 1 32 GLN HB2 1 34 THR H . . 5.490 5.282 5.073 5.389 . 0 0 "[ . 1 . 2]" 2
133 1 12 PRO HB3 1 13 TYR H . . 4.130 3.928 3.871 4.056 . 0 0 "[ . 1 . 2]" 2
134 1 12 PRO HG2 1 13 TYR H . . 4.140 1.981 1.893 2.200 . 0 0 "[ . 1 . 2]" 2
135 1 12 PRO HG3 1 13 TYR H . . 3.890 3.591 3.524 3.754 . 0 0 "[ . 1 . 2]" 2
136 1 12 PRO HB2 1 13 TYR H . . 3.480 2.966 2.865 3.189 . 0 0 "[ . 1 . 2]" 2
137 1 13 TYR H 1 21 ALA MB . . 5.490 4.910 4.789 5.032 . 0 0 "[ . 1 . 2]" 2
138 1 30 VAL H 1 31 HIS H . . 2.940 2.797 2.737 2.849 . 0 0 "[ . 1 . 2]" 2
139 1 29 ILE HB 1 30 VAL H . . 2.970 2.371 2.228 2.464 . 0 0 "[ . 1 . 2]" 2
140 1 30 VAL H 1 30 VAL MG2 . . 2.670 2.136 1.927 2.406 . 0 0 "[ . 1 . 2]" 2
141 1 29 ILE MG 1 30 VAL H . . 3.280 3.216 3.068 3.282 0.002 18 0 "[ . 1 . 2]" 2
142 1 30 VAL H 1 32 GLN H . . 4.350 4.074 3.931 4.327 . 0 0 "[ . 1 . 2]" 2
143 1 29 ILE H 1 30 VAL H . . 3.230 3.019 2.966 3.096 . 0 0 "[ . 1 . 2]" 2
144 1 13 TYR H 1 23 ILE HA . . 5.500 4.056 3.705 4.291 . 0 0 "[ . 1 . 2]" 2
145 1 27 GLN HA 1 30 VAL H . . 3.980 3.914 3.776 3.985 0.005 3 0 "[ . 1 . 2]" 2
146 1 30 VAL H 1 30 VAL HA . . 2.910 2.759 2.741 2.780 . 0 0 "[ . 1 . 2]" 2
147 1 28 LEU HB3 1 30 VAL H . . 5.500 5.142 5.037 5.349 . 0 0 "[ . 1 . 2]" 2
148 1 32 GLN HB3 1 35 HIS H . . 5.500 4.747 4.565 4.891 . 0 0 "[ . 1 . 2]" 2
149 1 30 VAL H 1 30 VAL HB . . 2.670 2.576 2.466 2.625 . 0 0 "[ . 1 . 2]" 2
150 1 29 ILE HG13 1 30 VAL H . . 4.440 4.216 4.159 4.271 . 0 0 "[ . 1 . 2]" 2
151 1 29 ILE MD 1 30 VAL H . . 4.510 4.231 4.097 4.353 . 0 0 "[ . 1 . 2]" 2
152 1 34 THR H 1 35 HIS H . . 2.790 2.550 2.406 2.655 . 0 0 "[ . 1 . 2]" 2
153 1 35 HIS H 1 35 HIS HD2 . . 3.590 3.414 3.203 3.567 . 0 0 "[ . 1 . 2]" 2
154 1 32 GLN HA 1 35 HIS H . . 3.250 3.105 2.995 3.255 0.005 3 0 "[ . 1 . 2]" 2
155 1 35 HIS H 1 35 HIS HB3 . . 3.620 3.501 3.488 3.526 . 0 0 "[ . 1 . 2]" 2
156 1 35 HIS H 1 35 HIS HB2 . . 2.860 2.195 2.180 2.232 . 0 0 "[ . 1 . 2]" 2
157 1 34 THR MG 1 35 HIS H . . 3.840 2.513 1.863 3.794 . 0 0 "[ . 1 . 2]" 2
158 1 30 VAL HA 1 33 ARG H . . 3.870 3.569 3.431 3.761 . 0 0 "[ . 1 . 2]" 2
159 1 30 VAL MG2 1 33 ARG H . . 5.500 5.291 5.164 5.441 . 0 0 "[ . 1 . 2]" 2
160 1 32 GLN H 1 33 ARG H . . 2.970 2.452 2.287 2.722 . 0 0 "[ . 1 . 2]" 2
161 1 33 ARG H 1 34 THR H . . 2.940 2.770 2.609 2.887 . 0 0 "[ . 1 . 2]" 2
162 1 31 HIS H 1 33 ARG H . . 4.210 3.994 3.928 4.073 . 0 0 "[ . 1 . 2]" 2
163 1 33 ARG H 1 35 HIS H . . 4.280 4.184 3.979 4.277 . 0 0 "[ . 1 . 2]" 2
164 1 33 ARG H 1 33 ARG HA . . 2.880 2.770 2.738 2.815 . 0 0 "[ . 1 . 2]" 2
165 1 32 GLN HA 1 33 ARG H . . 3.500 3.455 3.410 3.496 . 0 0 "[ . 1 . 2]" 2
166 1 32 GLN HB2 1 33 ARG H . . 3.510 3.017 2.844 3.187 . 0 0 "[ . 1 . 2]" 2
167 1 32 GLN HB3 1 33 ARG H . . 4.220 3.892 3.774 4.001 . 0 0 "[ . 1 . 2]" 2
168 1 33 ARG H 1 33 ARG HG3 . . 2.580 2.257 2.049 2.451 . 0 0 "[ . 1 . 2]" 2
169 1 33 ARG H 1 33 ARG HG2 . . 3.190 3.088 2.812 3.201 0.011 14 0 "[ . 1 . 2]" 2
170 1 33 ARG H 1 34 THR MG . . 4.070 3.997 3.818 4.082 0.012 5 0 "[ . 1 . 2]" 2
171 1 30 VAL MG1 1 33 ARG H . . 4.620 4.484 4.315 4.620 . 0 0 "[ . 1 . 2]" 2
172 1 15 CYS H 1 22 PHE QE . . 3.950 3.180 2.235 3.690 . 0 0 "[ . 1 . 2]" 2
173 1 15 CYS H 1 19 GLY HA3 . . 5.040 4.885 4.712 4.988 . 0 0 "[ . 1 . 2]" 2
174 1 15 CYS H 1 15 CYS HB2 . . 2.850 2.535 2.484 2.634 . 0 0 "[ . 1 . 2]" 2
175 1 15 CYS H 1 20 LYS HB3 . . 3.780 3.139 2.927 3.335 . 0 0 "[ . 1 . 2]" 2
176 1 15 CYS H 1 28 LEU MD1 . . 3.600 3.122 2.772 3.339 . 0 0 "[ . 1 . 2]" 2
177 1 15 CYS H 1 22 PHE QD . . 4.190 3.946 3.656 4.202 0.012 10 0 "[ . 1 . 2]" 2
178 1 15 CYS H 1 21 ALA HA . . 3.730 3.698 3.621 3.745 0.015 11 0 "[ . 1 . 2]" 2
179 1 15 CYS H 1 19 GLY HA2 . . 4.380 3.595 3.446 3.726 . 0 0 "[ . 1 . 2]" 2
180 1 15 CYS H 1 15 CYS HB3 . . 2.770 2.586 2.524 2.640 . 0 0 "[ . 1 . 2]" 2
181 1 14 GLU HG2 1 15 CYS H . . 3.790 3.627 3.383 3.743 . 0 0 "[ . 1 . 2]" 2
182 1 14 GLU QB 1 15 CYS H . . 3.340 2.917 2.629 3.064 . 0 0 "[ . 1 . 2]" 2
183 1 15 CYS H 1 20 LYS HB2 . . 4.590 4.122 3.917 4.338 . 0 0 "[ . 1 . 2]" 2
184 1 11 LYS HA 1 22 PHE H . . 5.240 4.671 4.462 5.149 . 0 0 "[ . 1 . 2]" 2
185 1 13 TYR HA 1 22 PHE H . . 5.500 4.670 4.473 4.856 . 0 0 "[ . 1 . 2]" 2
186 1 21 ALA H 1 22 PHE H . . 4.590 4.414 4.360 4.453 . 0 0 "[ . 1 . 2]" 2
187 1 22 PHE H 1 22 PHE QD . . 3.060 2.865 2.660 3.055 . 0 0 "[ . 1 . 2]" 2
188 1 13 TYR QD 1 22 PHE H . . 4.600 4.432 4.351 4.528 . 0 0 "[ . 1 . 2]" 2
189 1 21 ALA HA 1 22 PHE H . . 2.520 2.310 2.245 2.374 . 0 0 "[ . 1 . 2]" 2
190 1 22 PHE H 1 23 ILE HA . . 4.950 4.735 4.652 4.811 . 0 0 "[ . 1 . 2]" 2
191 1 22 PHE H 1 22 PHE HB3 . . 4.100 3.952 3.906 4.003 . 0 0 "[ . 1 . 2]" 2
192 1 13 TYR HB3 1 22 PHE H . . 4.550 4.165 3.876 4.392 . 0 0 "[ . 1 . 2]" 2
193 1 13 TYR HB2 1 22 PHE H . . 3.570 2.963 2.752 3.130 . 0 0 "[ . 1 . 2]" 2
194 1 22 PHE H 1 22 PHE HB2 . . 3.040 2.961 2.864 3.085 0.045 19 0 "[ . 1 . 2]" 2
195 1 14 GLU HG3 1 22 PHE H . . 4.210 3.961 3.843 4.077 . 0 0 "[ . 1 . 2]" 2
196 1 12 PRO HG2 1 22 PHE H . . 5.500 5.084 4.990 5.258 . 0 0 "[ . 1 . 2]" 2
197 1 14 GLU QB 1 22 PHE H . . 5.500 5.312 5.124 5.434 . 0 0 "[ . 1 . 2]" 2
198 1 11 LYS HB2 1 22 PHE H . . 4.390 3.125 2.874 3.289 . 0 0 "[ . 1 . 2]" 2
199 1 11 LYS HB3 1 22 PHE H . . 3.870 2.044 1.896 2.592 . 0 0 "[ . 1 . 2]" 2
200 1 21 ALA MB 1 22 PHE H . . 2.940 2.711 2.596 2.844 . 0 0 "[ . 1 . 2]" 2
201 1 12 PRO QD 1 22 PHE H . . 5.180 4.171 4.065 4.311 . 0 0 "[ . 1 . 2]" 2
202 1 15 CYS H 1 28 LEU MD2 . . 5.260 4.148 3.803 4.608 . 0 0 "[ . 1 . 2]" 2
203 1 14 GLU HA 1 22 PHE H . . 5.010 3.723 3.496 3.922 . 0 0 "[ . 1 . 2]" 2
204 1 38 GLU HB3 1 39 SER H . . 5.250 3.785 2.153 4.620 . 0 0 "[ . 1 . 2]" 2
205 1 38 GLU HB2 1 39 SER H . . 5.250 4.086 3.032 4.654 . 0 0 "[ . 1 . 2]" 2
206 1 13 TYR QE 1 24 ARG H . . 4.400 4.367 4.166 4.409 0.009 16 0 "[ . 1 . 2]" 2
207 1 13 TYR HB2 1 24 ARG H . . 4.740 4.468 4.256 4.629 . 0 0 "[ . 1 . 2]" 2
208 1 23 ILE MD 1 24 ARG H . . 4.660 4.131 3.372 4.704 0.044 14 0 "[ . 1 . 2]" 2
209 1 23 ILE H 1 24 ARG H . . 2.960 2.311 2.169 2.492 . 0 0 "[ . 1 . 2]" 2
210 1 21 ALA H 1 22 PHE QD . . 4.330 4.077 3.914 4.319 . 0 0 "[ . 1 . 2]" 2
211 1 13 TYR QD 1 24 ARG H . . 4.050 3.586 3.429 3.681 . 0 0 "[ . 1 . 2]" 2
212 1 24 ARG H 1 27 GLN H . . 4.230 3.939 3.807 4.029 . 0 0 "[ . 1 . 2]" 2
213 1 22 PHE HB3 1 24 ARG H . . 3.080 3.003 2.866 3.090 0.010 14 0 "[ . 1 . 2]" 2
214 1 22 PHE HB2 1 24 ARG H . . 3.880 3.836 3.683 3.890 0.010 11 0 "[ . 1 . 2]" 2
215 1 24 ARG H 1 27 GLN HG3 . . 4.040 2.299 2.178 2.417 . 0 0 "[ . 1 . 2]" 2
216 1 24 ARG H 1 27 GLN HG2 . . 4.040 3.699 3.429 4.054 0.014 17 0 "[ . 1 . 2]" 2
217 1 23 ILE HB 1 24 ARG H . . 3.230 2.682 2.550 2.859 . 0 0 "[ . 1 . 2]" 2
218 1 24 ARG H 1 27 GLN HB2 . . 3.630 2.870 2.619 3.167 . 0 0 "[ . 1 . 2]" 2
219 1 24 ARG H 1 24 ARG HB2 . . 3.110 2.714 2.626 2.795 . 0 0 "[ . 1 . 2]" 2
220 1 24 ARG H 1 24 ARG QG . . 3.370 2.814 2.645 2.966 . 0 0 "[ . 1 . 2]" 2
221 1 20 LYS HG3 1 21 ALA H . . 3.500 2.379 1.870 3.485 . 0 0 "[ . 1 . 2]" 2
222 1 13 TYR QD 1 14 GLU H . . 4.180 4.057 3.845 4.159 . 0 0 "[ . 1 . 2]" 2
223 1 14 GLU H 1 15 CYS H . . 4.470 4.398 4.327 4.460 . 0 0 "[ . 1 . 2]" 2
224 1 14 GLU H 1 21 ALA HA . . 4.720 4.650 4.596 4.701 . 0 0 "[ . 1 . 2]" 2
225 1 13 TYR HA 1 14 GLU H . . 2.500 2.168 2.145 2.223 . 0 0 "[ . 1 . 2]" 2
226 1 13 TYR HB3 1 14 GLU H . . 3.660 3.195 2.936 3.349 . 0 0 "[ . 1 . 2]" 2
227 1 13 TYR HB2 1 14 GLU H . . 4.230 4.149 3.995 4.239 0.009 11 0 "[ . 1 . 2]" 2
228 1 14 GLU H 1 14 GLU HG3 . . 4.140 3.839 3.775 3.900 . 0 0 "[ . 1 . 2]" 2
229 1 14 GLU H 1 14 GLU QB . . 2.830 2.530 2.458 2.624 . 0 0 "[ . 1 . 2]" 2
230 1 14 GLU H 1 21 ALA MB . . 5.500 5.514 5.435 5.547 0.047 19 0 "[ . 1 . 2]" 2
231 1 14 GLU H 1 28 LEU MD2 . . 3.410 2.812 2.522 3.193 . 0 0 "[ . 1 . 2]" 2
232 1 15 CYS H 1 21 ALA H . . 4.840 4.515 4.408 4.685 . 0 0 "[ . 1 . 2]" 2
233 1 21 ALA H 1 22 PHE HZ . . 5.190 4.705 4.504 4.865 . 0 0 "[ . 1 . 2]" 2
234 1 15 CYS H 1 18 CYS H . . 5.400 5.072 4.989 5.168 . 0 0 "[ . 1 . 2]" 2
235 1 21 ALA H 1 22 PHE QE . . 4.680 3.779 3.624 3.948 . 0 0 "[ . 1 . 2]" 2
236 1 18 CYS H 1 35 HIS HD2 . . 4.960 4.905 4.632 4.964 0.004 18 0 "[ . 1 . 2]" 2
237 1 14 GLU HA 1 21 ALA H . . 4.470 4.454 4.383 4.517 0.047 10 0 "[ . 1 . 2]" 2
238 1 15 CYS HA 1 18 CYS H . . 4.750 4.733 4.686 4.763 0.013 20 0 "[ . 1 . 2]" 2
239 1 20 LYS HA 1 21 ALA H . . 2.700 2.581 2.412 2.655 . 0 0 "[ . 1 . 2]" 2
240 1 20 LYS HG2 1 21 ALA H . . 3.500 2.036 1.868 3.311 . 0 0 "[ . 1 . 2]" 2
241 1 21 ALA H 1 21 ALA MB . . 2.750 2.603 2.538 2.657 . 0 0 "[ . 1 . 2]" 2
242 1 17 GLU H 1 18 CYS H . . 2.760 2.175 1.963 2.503 . 0 0 "[ . 1 . 2]" 2
243 1 18 CYS H 1 19 GLY HA2 . . 4.420 4.197 4.073 4.306 . 0 0 "[ . 1 . 2]" 2
244 1 15 CYS HB3 1 18 CYS H . . 3.090 2.712 2.621 2.792 . 0 0 "[ . 1 . 2]" 2
245 1 18 CYS H 1 18 CYS HB3 . . 3.300 3.090 3.006 3.209 . 0 0 "[ . 1 . 2]" 2
246 1 17 GLU HG3 1 18 CYS H . . 4.540 4.430 3.954 4.530 . 0 0 "[ . 1 . 2]" 2
247 1 17 GLU HG2 1 18 CYS H . . 4.540 4.105 3.929 4.550 0.010 3 0 "[ . 1 . 2]" 2
248 1 17 GLU QB 1 18 CYS H . . 2.830 2.404 2.184 2.564 . 0 0 "[ . 1 . 2]" 2
249 1 35 HIS H 1 36 SER H . . 3.520 2.605 2.490 2.664 . 0 0 "[ . 1 . 2]" 2
250 1 33 ARG HA 1 36 SER H . . 4.560 3.615 3.462 4.147 . 0 0 "[ . 1 . 2]" 2
251 1 35 HIS HB3 1 36 SER H . . 4.420 3.434 3.303 4.175 . 0 0 "[ . 1 . 2]" 2
252 1 35 HIS HB2 1 36 SER H . . 4.260 2.933 2.794 3.850 . 0 0 "[ . 1 . 2]" 2
253 1 8 THR HB 1 9 ARG H . . 4.660 3.947 2.528 4.479 . 0 0 "[ . 1 . 2]" 2
254 1 9 ARG H 1 9 ARG QG . . 4.760 2.814 1.942 4.149 . 0 0 "[ . 1 . 2]" 2
255 1 17 GLU H 1 18 CYS HA . . 5.290 4.767 4.546 5.016 . 0 0 "[ . 1 . 2]" 2
256 1 16 SER H 1 17 GLU H . . 4.000 2.702 2.540 2.904 . 0 0 "[ . 1 . 2]" 2
257 1 15 CYS H 1 20 LYS H . . 3.820 3.187 3.052 3.367 . 0 0 "[ . 1 . 2]" 2
258 1 19 GLY H 1 20 LYS H . . 3.280 1.942 1.863 2.004 . 0 0 "[ . 1 . 2]" 2
259 1 20 LYS H 1 22 PHE QE . . 4.670 4.464 4.147 4.683 0.013 3 0 "[ . 1 . 2]" 2
260 1 17 GLU H 1 35 HIS HD2 . . 5.490 5.183 4.859 5.398 . 0 0 "[ . 1 . 2]" 2
261 1 18 CYS HA 1 20 LYS H . . 4.860 4.851 4.795 4.878 0.018 18 0 "[ . 1 . 2]" 2
262 1 15 CYS HA 1 17 GLU H . . 3.870 3.550 3.407 3.751 . 0 0 "[ . 1 . 2]" 2
263 1 15 CYS HA 1 20 LYS H . . 4.920 4.836 4.719 4.930 0.010 18 0 "[ . 1 . 2]" 2
264 1 17 GLU H 1 17 GLU HA . . 2.930 2.939 2.911 2.948 0.018 18 0 "[ . 1 . 2]" 2
265 1 16 SER HB2 1 17 GLU H . . 4.980 4.314 3.822 4.538 . 0 0 "[ . 1 . 2]" 2
266 1 16 SER HB3 1 17 GLU H . . 4.980 4.047 3.508 4.544 . 0 0 "[ . 1 . 2]" 2
267 1 20 LYS H 1 20 LYS HA . . 2.930 2.752 2.711 2.786 . 0 0 "[ . 1 . 2]" 2
268 1 17 GLU H 1 19 GLY HA2 . . 5.050 4.653 4.419 4.815 . 0 0 "[ . 1 . 2]" 2
269 1 15 CYS HB3 1 17 GLU H . . 4.030 3.207 3.102 3.363 . 0 0 "[ . 1 . 2]" 2
270 1 15 CYS HB3 1 20 LYS H . . 2.970 2.004 1.918 2.089 . 0 0 "[ . 1 . 2]" 2
271 1 15 CYS HB2 1 20 LYS H . . 3.410 3.159 2.967 3.335 . 0 0 "[ . 1 . 2]" 2
272 1 15 CYS HB2 1 17 GLU H . . 4.470 4.220 4.179 4.281 . 0 0 "[ . 1 . 2]" 2
273 1 17 GLU H 1 17 GLU HG3 . . 3.700 3.578 2.881 3.706 0.006 18 0 "[ . 1 . 2]" 2
274 1 17 GLU H 1 17 GLU HG2 . . 3.700 2.577 2.395 3.363 . 0 0 "[ . 1 . 2]" 2
275 1 17 GLU H 1 17 GLU QB . . 2.760 2.614 2.482 2.768 0.008 11 0 "[ . 1 . 2]" 2
276 1 20 LYS H 1 20 LYS HB2 . . 2.660 2.202 2.124 2.289 . 0 0 "[ . 1 . 2]" 2
277 1 20 LYS H 1 20 LYS HB3 . . 3.130 2.916 2.791 3.049 . 0 0 "[ . 1 . 2]" 2
278 1 20 LYS H 1 20 LYS HG3 . . 4.670 4.190 4.004 4.352 . 0 0 "[ . 1 . 2]" 2
279 1 20 LYS H 1 21 ALA H . . 4.740 4.593 4.546 4.648 . 0 0 "[ . 1 . 2]" 2
280 1 19 GLY H 1 20 LYS HB3 . . 4.930 4.509 4.332 4.755 . 0 0 "[ . 1 . 2]" 2
281 1 15 CYS H 1 19 GLY H . . 4.130 3.736 3.691 3.798 . 0 0 "[ . 1 . 2]" 2
282 1 17 GLU H 1 19 GLY H . . 3.570 3.250 2.993 3.501 . 0 0 "[ . 1 . 2]" 2
283 1 28 LEU H 1 29 ILE H . . 2.910 2.825 2.712 2.924 0.014 17 0 "[ . 1 . 2]" 2
284 1 18 CYS H 1 19 GLY H . . 2.510 1.985 1.906 2.069 . 0 0 "[ . 1 . 2]" 2
285 1 25 ASN HD21 1 28 LEU H . . 3.930 3.877 3.777 3.935 0.005 3 0 "[ . 1 . 2]" 2
286 1 27 GLN H 1 28 LEU H . . 2.830 2.695 2.610 2.743 . 0 0 "[ . 1 . 2]" 2
287 1 15 CYS HA 1 19 GLY H . . 4.730 4.519 4.419 4.646 . 0 0 "[ . 1 . 2]" 2
288 1 19 GLY H 1 19 GLY HA2 . . 2.590 2.485 2.452 2.546 . 0 0 "[ . 1 . 2]" 2
289 1 28 LEU H 1 29 ILE HA . . 5.480 5.373 5.283 5.450 . 0 0 "[ . 1 . 2]" 2
290 1 25 ASN HA 1 28 LEU H . . 3.320 3.267 3.217 3.324 0.004 3 0 "[ . 1 . 2]" 2
291 1 15 CYS HB3 1 19 GLY H . . 3.110 1.943 1.897 2.071 . 0 0 "[ . 1 . 2]" 2
292 1 13 TYR HB3 1 28 LEU H . . 4.680 4.320 4.077 4.499 . 0 0 "[ . 1 . 2]" 2
293 1 15 CYS HB2 1 19 GLY H . . 4.380 3.695 3.645 3.831 . 0 0 "[ . 1 . 2]" 2
294 1 18 CYS HB3 1 19 GLY H . . 4.750 3.957 3.917 4.004 . 0 0 "[ . 1 . 2]" 2
295 1 13 TYR HB2 1 28 LEU H . . 4.850 4.524 4.383 4.674 . 0 0 "[ . 1 . 2]" 2
296 1 22 PHE HB2 1 28 LEU H . . 3.940 3.330 3.139 3.566 . 0 0 "[ . 1 . 2]" 2
297 1 27 GLN HB3 1 28 LEU H . . 4.030 3.637 3.527 3.768 . 0 0 "[ . 1 . 2]" 2
298 1 27 GLN HG3 1 28 LEU H . . 4.640 4.335 3.846 4.640 0.000 9 0 "[ . 1 . 2]" 2
299 1 27 GLN HG2 1 28 LEU H . . 4.640 4.310 4.144 4.619 . 0 0 "[ . 1 . 2]" 2
300 1 28 LEU H 1 28 LEU HB3 . . 2.800 2.274 2.231 2.370 . 0 0 "[ . 1 . 2]" 2
301 1 27 GLN HB2 1 28 LEU H . . 3.540 2.444 2.277 2.628 . 0 0 "[ . 1 . 2]" 2
302 1 14 GLU QB 1 19 GLY H . . 5.450 5.053 4.929 5.233 . 0 0 "[ . 1 . 2]" 2
303 1 28 LEU H 1 29 ILE HB . . 4.990 4.899 4.805 4.995 0.005 20 0 "[ . 1 . 2]" 2
304 1 28 LEU H 1 28 LEU HG . . 4.790 4.294 4.240 4.396 . 0 0 "[ . 1 . 2]" 2
305 1 28 LEU H 1 29 ILE HG13 . . 5.140 4.391 4.235 4.562 . 0 0 "[ . 1 . 2]" 2
306 1 17 GLU QB 1 19 GLY H . . 4.520 4.187 4.024 4.299 . 0 0 "[ . 1 . 2]" 2
307 1 19 GLY H 1 20 LYS HB2 . . 4.780 3.873 3.684 4.011 . 0 0 "[ . 1 . 2]" 2
308 1 28 LEU H 1 28 LEU HB2 . . 2.950 2.763 2.644 2.821 . 0 0 "[ . 1 . 2]" 2
309 1 19 GLY H 1 28 LEU MD1 . . 5.500 5.300 5.045 5.421 . 0 0 "[ . 1 . 2]" 2
310 1 28 LEU H 1 28 LEU MD2 . . 4.590 4.171 4.109 4.233 . 0 0 "[ . 1 . 2]" 2
311 1 28 LEU H 1 28 LEU MD1 . . 4.920 4.203 4.121 4.267 . 0 0 "[ . 1 . 2]" 2
312 1 9 ARG HA 1 10 GLU H . . 3.380 2.312 2.146 2.827 . 0 0 "[ . 1 . 2]" 2
313 1 10 GLU H 1 10 GLU HG2 . . 5.240 3.765 2.205 4.710 . 0 0 "[ . 1 . 2]" 2
314 1 10 GLU H 1 10 GLU HG3 . . 5.240 3.705 2.448 4.687 . 0 0 "[ . 1 . 2]" 2
315 1 9 ARG HB2 1 10 GLU H . . 5.060 4.235 2.968 4.528 . 0 0 "[ . 1 . 2]" 2
316 1 9 ARG HB3 1 10 GLU H . . 5.060 3.644 2.559 4.644 . 0 0 "[ . 1 . 2]" 2
317 1 9 ARG QG 1 10 GLU H . . 5.180 4.066 2.017 4.721 . 0 0 "[ . 1 . 2]" 2
318 1 10 GLU H 1 11 LYS HB2 . . 5.500 4.350 3.639 5.046 . 0 0 "[ . 1 . 2]" 2
319 1 14 GLU HG2 1 19 GLY HA2 . . 4.710 3.979 3.929 4.020 . 0 0 "[ . 1 . 2]" 2
320 1 36 SER HA 1 37 GLY QA . . 4.740 4.120 3.904 4.559 . 0 0 "[ . 1 . 2]" 2
321 1 22 PHE H 1 28 LEU MD1 . . 5.290 5.072 4.795 5.285 . 0 0 "[ . 1 . 2]" 2
322 1 29 ILE H 1 30 VAL MG2 . . 5.470 4.484 4.353 4.728 . 0 0 "[ . 1 . 2]" 2
323 1 28 LEU MD1 1 31 HIS HD2 . . 3.380 2.925 2.702 3.167 . 0 0 "[ . 1 . 2]" 2
324 1 21 ALA HA 1 28 LEU MD1 . . 5.100 4.592 4.371 4.859 . 0 0 "[ . 1 . 2]" 2
325 1 14 GLU HA 1 28 LEU MD1 . . 4.510 3.607 3.428 3.814 . 0 0 "[ . 1 . 2]" 2
326 1 15 CYS HA 1 28 LEU MD1 . . 3.320 1.961 1.795 2.203 . 0 0 "[ . 1 . 2]" 2
327 1 28 LEU MD1 1 29 ILE HA . . 4.860 4.074 3.903 4.238 . 0 0 "[ . 1 . 2]" 2
328 1 28 LEU MD1 1 31 HIS HB3 . . 4.070 2.751 2.490 2.952 . 0 0 "[ . 1 . 2]" 2
329 1 28 LEU MD1 1 32 GLN HG2 . . 3.840 2.706 2.394 2.965 . 0 0 "[ . 1 . 2]" 2
330 1 22 PHE HB2 1 28 LEU MD1 . . 4.820 4.161 3.919 4.430 . 0 0 "[ . 1 . 2]" 2
331 1 28 LEU MD1 1 32 GLN HB2 . . 4.610 4.252 3.954 4.572 . 0 0 "[ . 1 . 2]" 2
332 1 28 LEU HB2 1 28 LEU MD1 . . 3.580 2.372 2.248 2.479 . 0 0 "[ . 1 . 2]" 2
333 1 27 GLN HA 1 30 VAL MG2 . . 3.690 2.964 2.720 3.309 . 0 0 "[ . 1 . 2]" 2
334 1 30 VAL HA 1 30 VAL MG2 . . 3.050 2.334 2.191 2.449 . 0 0 "[ . 1 . 2]" 2
335 1 27 GLN HB3 1 30 VAL MG2 . . 5.500 5.002 4.786 5.310 . 0 0 "[ . 1 . 2]" 2
336 1 29 ILE HB 1 30 VAL MG2 . . 4.260 3.237 3.063 3.458 . 0 0 "[ . 1 . 2]" 2
337 1 15 CYS H 1 21 ALA MB . . 4.920 4.778 4.727 4.865 . 0 0 "[ . 1 . 2]" 2
338 1 21 ALA MB 1 22 PHE QD . . 4.760 4.180 3.978 4.354 . 0 0 "[ . 1 . 2]" 2
339 1 14 GLU HA 1 21 ALA MB . . 3.720 3.668 3.611 3.722 0.002 19 0 "[ . 1 . 2]" 2
340 1 20 LYS HA 1 21 ALA MB . . 4.030 3.754 3.735 3.803 . 0 0 "[ . 1 . 2]" 2
341 1 14 GLU HG3 1 21 ALA MB . . 3.910 2.767 2.635 2.875 . 0 0 "[ . 1 . 2]" 2
342 1 11 LYS HB3 1 21 ALA MB . . 3.840 2.598 2.305 3.014 . 0 0 "[ . 1 . 2]" 2
343 1 14 GLU HG2 1 21 ALA MB . . 3.950 3.398 3.277 3.542 . 0 0 "[ . 1 . 2]" 2
344 1 30 VAL HA 1 33 ARG HG3 . . 3.340 2.145 2.026 2.256 . 0 0 "[ . 1 . 2]" 2
345 1 30 VAL HA 1 30 VAL MG1 . . 3.270 2.424 2.334 2.473 . 0 0 "[ . 1 . 2]" 2
346 1 13 TYR HA 1 13 TYR QD . . 3.440 2.818 2.729 2.928 . 0 0 "[ . 1 . 2]" 2
347 1 8 THR HA 1 8 THR MG . . 3.690 2.626 2.191 3.207 . 0 0 "[ . 1 . 2]" 2
348 1 13 TYR QD 1 23 ILE HA . . 4.080 3.285 3.019 3.444 . 0 0 "[ . 1 . 2]" 2
349 1 12 PRO QD 1 13 TYR QD . . 3.850 3.389 3.208 3.497 . 0 0 "[ . 1 . 2]" 2
350 1 13 TYR QD 1 22 PHE HB2 . . 4.660 3.602 3.448 3.728 . 0 0 "[ . 1 . 2]" 2
351 1 12 PRO HB3 1 13 TYR QD . . 5.500 5.041 4.881 5.185 . 0 0 "[ . 1 . 2]" 2
352 1 13 TYR QD 1 23 ILE HB . . 5.500 5.132 5.011 5.274 . 0 0 "[ . 1 . 2]" 2
353 1 13 TYR QD 1 24 ARG HB3 . . 5.500 5.294 5.188 5.391 . 0 0 "[ . 1 . 2]" 2
354 1 13 TYR QD 1 25 ASN HB2 . . 4.580 3.726 3.559 3.914 . 0 0 "[ . 1 . 2]" 2
355 1 12 PRO HG3 1 13 TYR QD . . 4.110 3.759 3.584 3.906 . 0 0 "[ . 1 . 2]" 2
356 1 12 PRO HB2 1 13 TYR QD . . 4.710 3.946 3.797 4.102 . 0 0 "[ . 1 . 2]" 2
357 1 13 TYR QD 1 28 LEU HB2 . . 4.880 4.272 3.999 4.480 . 0 0 "[ . 1 . 2]" 2
358 1 13 TYR QD 1 28 LEU MD2 . . 3.620 2.833 2.593 3.062 . 0 0 "[ . 1 . 2]" 2
359 1 30 VAL HA 1 33 ARG QD . . 3.850 2.769 2.225 3.450 . 0 0 "[ . 1 . 2]" 2
360 1 33 ARG H 1 33 ARG QD . . 4.420 4.040 3.786 4.328 . 0 0 "[ . 1 . 2]" 2
361 1 21 ALA HA 1 22 PHE HB2 . . 5.080 4.541 4.482 4.636 . 0 0 "[ . 1 . 2]" 2
362 1 33 ARG HA 1 33 ARG QD . . 4.190 3.993 3.694 4.219 0.029 9 0 "[ . 1 . 2]" 2
363 1 33 ARG HB3 1 33 ARG QD . . 3.800 2.438 2.093 2.775 . 0 0 "[ . 1 . 2]" 2
364 1 30 VAL MG2 1 33 ARG QD . . 4.580 3.641 3.212 4.209 . 0 0 "[ . 1 . 2]" 2
365 1 30 VAL H 1 30 VAL MG1 . . 4.010 3.765 3.754 3.768 . 0 0 "[ . 1 . 2]" 2
366 1 30 VAL MG1 1 33 ARG QD . . 4.260 3.398 2.373 4.246 . 0 0 "[ . 1 . 2]" 2
367 1 13 TYR HB2 1 22 PHE HB3 . . 4.360 3.601 3.487 3.740 . 0 0 "[ . 1 . 2]" 2
368 1 13 TYR HB2 1 22 PHE HB2 . . 3.900 2.053 1.990 2.216 . 0 0 "[ . 1 . 2]" 2
369 1 22 PHE HB3 1 27 GLN HB3 . . 3.770 2.970 2.841 3.278 . 0 0 "[ . 1 . 2]" 2
370 1 22 PHE HB3 1 27 GLN HB2 . . 3.990 2.026 1.989 2.176 . 0 0 "[ . 1 . 2]" 2
371 1 22 PHE HB2 1 27 GLN HB2 . . 4.460 3.258 3.098 3.433 . 0 0 "[ . 1 . 2]" 2
372 1 22 PHE HB3 1 28 LEU HB2 . . 4.600 3.764 3.395 4.142 . 0 0 "[ . 1 . 2]" 2
373 1 22 PHE HB2 1 28 LEU HB2 . . 4.200 2.586 2.309 2.890 . 0 0 "[ . 1 . 2]" 2
374 1 22 PHE HB2 1 28 LEU MD2 . . 4.760 4.040 3.693 4.328 . 0 0 "[ . 1 . 2]" 2
375 1 9 ARG HA 1 9 ARG QD . . 4.240 3.367 1.965 4.189 . 0 0 "[ . 1 . 2]" 2
376 1 22 PHE QD 1 24 ARG H . . 5.420 4.748 4.600 4.884 . 0 0 "[ . 1 . 2]" 2
377 1 21 ALA HA 1 22 PHE QD . . 3.810 2.923 2.663 3.154 . 0 0 "[ . 1 . 2]" 2
378 1 14 GLU HA 1 22 PHE QD . . 4.560 3.126 2.705 3.457 . 0 0 "[ . 1 . 2]" 2
379 1 22 PHE QD 1 27 GLN HA . . 4.930 4.227 3.981 4.393 . 0 0 "[ . 1 . 2]" 2
380 1 13 TYR HB3 1 22 PHE QD . . 4.810 3.469 3.190 3.758 . 0 0 "[ . 1 . 2]" 2
381 1 13 TYR HB2 1 22 PHE QD . . 4.060 3.376 3.204 3.544 . 0 0 "[ . 1 . 2]" 2
382 1 22 PHE QD 1 27 GLN HB3 . . 3.780 2.311 2.119 2.545 . 0 0 "[ . 1 . 2]" 2
383 1 22 PHE QD 1 28 LEU HB3 . . 4.460 4.129 3.808 4.358 . 0 0 "[ . 1 . 2]" 2
384 1 22 PHE QD 1 27 GLN HB2 . . 3.550 2.836 2.562 3.029 . 0 0 "[ . 1 . 2]" 2
385 1 22 PHE QD 1 28 LEU HB2 . . 3.760 2.504 2.108 2.758 . 0 0 "[ . 1 . 2]" 2
386 1 22 PHE QD 1 28 LEU MD1 . . 3.300 2.636 2.235 2.963 . 0 0 "[ . 1 . 2]" 2
387 1 29 ILE HA 1 32 GLN H . . 4.200 3.255 3.162 3.407 . 0 0 "[ . 1 . 2]" 2
388 1 29 ILE HA 1 29 ILE HG13 . . 3.520 2.820 2.743 2.882 . 0 0 "[ . 1 . 2]" 2
389 1 29 ILE HA 1 29 ILE HG12 . . 3.470 2.662 2.573 2.722 . 0 0 "[ . 1 . 2]" 2
390 1 29 ILE HA 1 29 ILE MG . . 3.240 2.410 2.335 2.467 . 0 0 "[ . 1 . 2]" 2
391 1 11 LYS H 1 11 LYS QE . . 5.330 3.724 1.927 4.965 . 0 0 "[ . 1 . 2]" 2
392 1 28 LEU HB3 1 29 ILE HA . . 4.760 4.454 4.362 4.531 . 0 0 "[ . 1 . 2]" 2
393 1 29 ILE HA 1 32 GLN HB3 . . 5.050 4.091 3.932 4.350 . 0 0 "[ . 1 . 2]" 2
394 1 11 LYS QE 1 11 LYS HG2 . . 3.840 2.577 2.065 3.466 . 0 0 "[ . 1 . 2]" 2
395 1 11 LYS QE 1 11 LYS HG3 . . 3.840 2.733 2.255 3.433 . 0 0 "[ . 1 . 2]" 2
396 1 11 LYS QE 1 21 ALA MB . . 4.230 3.242 1.906 4.171 . 0 0 "[ . 1 . 2]" 2
397 1 28 LEU MD2 1 29 ILE HA . . 4.750 4.417 4.259 4.591 . 0 0 "[ . 1 . 2]" 2
398 1 34 THR HA 1 34 THR MG . . 3.310 2.979 2.451 3.208 . 0 0 "[ . 1 . 2]" 2
399 1 22 PHE H 1 22 PHE QE . . 4.950 4.882 4.695 4.961 0.011 2 0 "[ . 1 . 2]" 2
400 1 22 PHE QE 1 31 HIS HD2 . . 3.660 3.274 2.930 3.598 . 0 0 "[ . 1 . 2]" 2
401 1 22 PHE QE 1 28 LEU HA . . 4.500 3.057 2.866 3.185 . 0 0 "[ . 1 . 2]" 2
402 1 22 PHE QE 1 31 HIS HB3 . . 4.490 3.100 2.568 3.429 . 0 0 "[ . 1 . 2]" 2
403 1 15 CYS HB2 1 22 PHE QE . . 3.820 2.349 2.030 2.655 . 0 0 "[ . 1 . 2]" 2
404 1 13 TYR HB2 1 23 ILE HA . . 4.930 4.597 4.335 4.822 . 0 0 "[ . 1 . 2]" 2
405 1 12 PRO HG2 1 23 ILE HA . . 4.580 3.447 3.019 3.741 . 0 0 "[ . 1 . 2]" 2
406 1 23 ILE HA 1 23 ILE HG12 . . 4.100 3.054 2.660 3.561 . 0 0 "[ . 1 . 2]" 2
407 1 20 LYS HB3 1 22 PHE QE . . 4.060 2.026 1.989 2.193 . 0 0 "[ . 1 . 2]" 2
408 1 22 PHE QE 1 28 LEU MD1 . . 3.640 2.140 1.899 2.645 . 0 0 "[ . 1 . 2]" 2
409 1 23 ILE H 1 23 ILE MG . . 3.970 3.793 3.763 3.822 . 0 0 "[ . 1 . 2]" 2
410 1 23 ILE MG 1 24 ARG H . . 4.130 3.567 3.405 3.751 . 0 0 "[ . 1 . 2]" 2
411 1 11 LYS HA 1 23 ILE MG . . 4.960 4.788 4.443 4.971 0.011 16 0 "[ . 1 . 2]" 2
412 1 23 ILE HA 1 23 ILE MG . . 3.370 2.342 2.229 2.462 . 0 0 "[ . 1 . 2]" 2
413 1 12 PRO QD 1 23 ILE MG . . 4.680 3.581 3.248 3.741 . 0 0 "[ . 1 . 2]" 2
414 1 23 ILE HG12 1 23 ILE MG . . 3.540 2.324 1.996 3.199 . 0 0 "[ . 1 . 2]" 2
415 1 23 ILE HG13 1 23 ILE MG . . 3.540 2.895 2.403 3.187 . 0 0 "[ . 1 . 2]" 2
416 1 13 TYR HB3 1 28 LEU HB3 . . 4.270 3.090 3.011 3.201 . 0 0 "[ . 1 . 2]" 2
417 1 13 TYR HB2 1 28 LEU HB3 . . 4.460 4.155 3.973 4.419 . 0 0 "[ . 1 . 2]" 2
418 1 13 TYR HB2 1 28 LEU HB2 . . 4.210 3.327 3.087 3.509 . 0 0 "[ . 1 . 2]" 2
419 1 22 PHE HB2 1 28 LEU HB3 . . 4.770 3.742 3.334 4.140 . 0 0 "[ . 1 . 2]" 2
420 1 28 LEU HB3 1 28 LEU MD2 . . 3.320 2.326 2.231 2.414 . 0 0 "[ . 1 . 2]" 2
421 1 28 LEU HB2 1 28 LEU MD2 . . 3.510 2.329 2.219 2.436 . 0 0 "[ . 1 . 2]" 2
422 1 29 ILE H 1 29 ILE MG . . 3.850 3.774 3.767 3.782 . 0 0 "[ . 1 . 2]" 2
423 1 26 SER HA 1 29 ILE MG . . 4.470 4.177 4.077 4.239 . 0 0 "[ . 1 . 2]" 2
424 1 29 ILE MG 1 30 VAL HA . . 4.250 3.350 3.237 3.470 . 0 0 "[ . 1 . 2]" 2
425 1 29 ILE MG 1 33 ARG QD . . 4.810 3.612 3.170 4.313 . 0 0 "[ . 1 . 2]" 2
426 1 29 ILE MG 1 32 GLN HB2 . . 4.920 3.384 3.166 3.642 . 0 0 "[ . 1 . 2]" 2
427 1 29 ILE MG 1 32 GLN HB3 . . 5.060 4.648 4.454 4.935 . 0 0 "[ . 1 . 2]" 2
428 1 29 ILE MG 1 33 ARG HG3 . . 4.410 3.140 2.691 3.467 . 0 0 "[ . 1 . 2]" 2
429 1 29 ILE HG13 1 29 ILE MG . . 3.470 3.178 3.165 3.194 . 0 0 "[ . 1 . 2]" 2
430 1 29 ILE HG12 1 29 ILE MG . . 3.320 2.228 2.140 2.342 . 0 0 "[ . 1 . 2]" 2
431 1 29 ILE MG 1 30 VAL MG2 . . 4.070 3.481 3.254 3.614 . 0 0 "[ . 1 . 2]" 2
432 1 22 PHE HZ 1 31 HIS HE1 . . 4.880 4.563 4.087 4.766 . 0 0 "[ . 1 . 2]" 2
433 1 22 PHE HZ 1 31 HIS HD2 . . 4.720 2.933 2.440 3.437 . 0 0 "[ . 1 . 2]" 2
434 1 22 PHE HZ 1 31 HIS HB3 . . 4.410 2.463 2.213 2.789 . 0 0 "[ . 1 . 2]" 2
435 1 22 PHE HZ 1 31 HIS HB2 . . 3.920 2.509 2.048 3.183 . 0 0 "[ . 1 . 2]" 2
436 1 20 LYS HD3 1 22 PHE HZ . . 4.630 2.696 2.000 4.065 . 0 0 "[ . 1 . 2]" 2
437 1 20 LYS HB3 1 22 PHE HZ . . 4.180 3.006 2.412 3.447 . 0 0 "[ . 1 . 2]" 2
438 1 22 PHE HZ 1 28 LEU MD1 . . 4.650 3.323 2.689 3.967 . 0 0 "[ . 1 . 2]" 2
439 1 23 ILE HB 1 24 ARG QG . . 3.990 2.741 2.562 2.887 . 0 0 "[ . 1 . 2]" 2
440 1 26 SER HA 1 30 VAL MG2 . . 4.550 3.963 3.773 4.166 . 0 0 "[ . 1 . 2]" 2
441 1 26 SER HA 1 30 VAL H . . 5.460 4.202 4.049 4.351 . 0 0 "[ . 1 . 2]" 2
442 1 25 ASN HB3 1 26 SER HA . . 5.100 3.825 3.805 3.848 . 0 0 "[ . 1 . 2]" 2
443 1 26 SER HA 1 29 ILE HB . . 3.500 2.950 2.809 3.048 . 0 0 "[ . 1 . 2]" 2
444 1 26 SER HA 1 29 ILE HG13 . . 4.490 3.686 3.331 3.984 . 0 0 "[ . 1 . 2]" 2
445 1 13 TYR HB3 1 22 PHE HB2 . . 4.250 2.940 2.626 3.262 . 0 0 "[ . 1 . 2]" 2
446 1 13 TYR HB3 1 28 LEU HB2 . . 4.020 2.578 2.352 2.833 . 0 0 "[ . 1 . 2]" 2
447 1 13 TYR HB3 1 28 LEU MD2 . . 3.340 2.095 1.980 2.317 . 0 0 "[ . 1 . 2]" 2
448 1 13 TYR HB2 1 28 LEU MD2 . . 3.710 3.618 3.536 3.714 0.004 18 0 "[ . 1 . 2]" 2
449 1 13 TYR HB3 1 28 LEU HG . . 4.950 4.600 4.438 4.685 . 0 0 "[ . 1 . 2]" 2
450 1 15 CYS H 1 31 HIS HD2 . . 5.270 5.019 4.733 5.184 . 0 0 "[ . 1 . 2]" 2
451 1 31 HIS HD2 1 32 GLN H . . 4.460 4.250 3.871 4.461 0.001 16 0 "[ . 1 . 2]" 2
452 1 20 LYS H 1 31 HIS HD2 . . 5.500 4.891 4.644 5.097 . 0 0 "[ . 1 . 2]" 2
453 1 31 HIS H 1 31 HIS HD2 . . 5.500 4.932 4.860 5.031 . 0 0 "[ . 1 . 2]" 2
454 1 31 HIS HD2 1 35 HIS HD2 . . 4.220 3.230 2.804 3.627 . 0 0 "[ . 1 . 2]" 2
455 1 15 CYS HA 1 31 HIS HD2 . . 4.910 4.211 3.963 4.384 . 0 0 "[ . 1 . 2]" 2
456 1 31 HIS HD2 1 32 GLN HA . . 3.940 3.843 3.644 3.942 0.002 3 0 "[ . 1 . 2]" 2
457 1 28 LEU HA 1 31 HIS HD2 . . 4.810 4.637 4.286 4.779 . 0 0 "[ . 1 . 2]" 2
458 1 31 HIS HB3 1 31 HIS HD2 . . 3.890 2.735 2.696 2.798 . 0 0 "[ . 1 . 2]" 2
459 1 15 CYS HB2 1 31 HIS HD2 . . 3.300 2.519 2.295 2.699 . 0 0 "[ . 1 . 2]" 2
460 1 31 HIS HE1 1 35 HIS HD2 . . 5.420 4.634 4.331 4.880 . 0 0 "[ . 1 . 2]" 2
461 1 32 GLN HA 1 36 SER H . . 5.250 4.326 4.016 5.146 . 0 0 "[ . 1 . 2]" 2
462 1 32 GLN HA 1 35 HIS HD2 . . 3.290 2.755 2.588 2.928 . 0 0 "[ . 1 . 2]" 2
463 1 31 HIS HA 1 32 GLN HA . . 5.340 4.731 4.665 4.844 . 0 0 "[ . 1 . 2]" 2
464 1 32 GLN HA 1 33 ARG HA . . 5.500 4.874 4.813 4.917 . 0 0 "[ . 1 . 2]" 2
465 1 35 HIS HB3 1 35 HIS HD2 . . 3.930 3.770 3.716 3.826 . 0 0 "[ . 1 . 2]" 2
466 1 35 HIS HB2 1 35 HIS HD2 . . 3.540 2.706 2.692 2.733 . 0 0 "[ . 1 . 2]" 2
467 1 32 GLN HA 1 35 HIS HB2 . . 4.500 2.498 2.226 2.868 . 0 0 "[ . 1 . 2]" 2
468 1 32 GLN HB3 1 35 HIS HD2 . . 5.260 5.021 4.783 5.234 . 0 0 "[ . 1 . 2]" 2
469 1 17 GLU QB 1 35 HIS HD2 . . 3.900 3.133 2.824 3.395 . 0 0 "[ . 1 . 2]" 2
470 1 28 LEU MD1 1 32 GLN HA . . 4.810 4.291 4.051 4.448 . 0 0 "[ . 1 . 2]" 2
471 1 31 HIS HA 1 34 THR H . . 4.580 3.913 3.626 4.120 . 0 0 "[ . 1 . 2]" 2
472 1 22 PHE HZ 1 31 HIS HA . . 5.040 4.601 4.266 5.039 . 0 0 "[ . 1 . 2]" 2
473 1 31 HIS HA 1 34 THR MG . . 3.560 3.231 2.851 3.419 . 0 0 "[ . 1 . 2]" 2
474 1 30 VAL MG1 1 31 HIS HA . . 4.330 3.516 3.299 3.633 . 0 0 "[ . 1 . 2]" 2
475 1 14 GLU HG3 1 15 CYS H . . 4.730 4.119 4.011 4.161 . 0 0 "[ . 1 . 2]" 2
476 1 14 GLU H 1 14 GLU HG2 . . 5.070 4.787 4.735 4.843 . 0 0 "[ . 1 . 2]" 2
477 1 14 GLU HG3 1 21 ALA HA . . 5.090 2.610 2.465 2.760 . 0 0 "[ . 1 . 2]" 2
478 1 14 GLU HG3 1 19 GLY HA2 . . 5.500 5.541 5.530 5.559 0.059 18 0 "[ . 1 . 2]" 2
479 1 14 GLU HG2 1 21 ALA HA . . 5.090 3.424 3.306 3.528 . 0 0 "[ . 1 . 2]" 2
480 1 33 ARG HA 1 35 HIS H . . 4.790 4.385 4.175 4.563 . 0 0 "[ . 1 . 2]" 2
481 1 33 ARG HA 1 33 ARG HG2 . . 3.500 2.434 2.328 2.545 . 0 0 "[ . 1 . 2]" 2
482 1 17 GLU HA 1 18 CYS HA . . 5.020 4.548 4.537 4.557 . 0 0 "[ . 1 . 2]" 2
483 1 18 CYS HA 1 19 GLY HA3 . . 5.380 4.533 4.523 4.556 . 0 0 "[ . 1 . 2]" 2
484 1 17 GLU QB 1 18 CYS HA . . 4.900 4.108 4.045 4.197 . 0 0 "[ . 1 . 2]" 2
485 1 23 ILE HA 1 23 ILE MD . . 4.000 3.442 1.967 3.921 . 0 0 "[ . 1 . 2]" 2
486 1 11 LYS QE 1 23 ILE MD . . 4.720 3.217 1.761 4.607 . 0 0 "[ . 1 . 2]" 2
487 1 23 ILE HB 1 23 ILE MD . . 3.480 2.343 2.085 3.225 . 0 0 "[ . 1 . 2]" 2
488 1 17 GLU HA 1 17 GLU HG3 . . 4.130 3.834 3.553 3.900 . 0 0 "[ . 1 . 2]" 2
489 1 17 GLU HA 1 17 GLU HG2 . . 4.130 2.896 2.524 3.005 . 0 0 "[ . 1 . 2]" 2
490 1 20 LYS HA 1 20 LYS HG2 . . 3.790 3.171 2.295 3.607 . 0 0 "[ . 1 . 2]" 2
491 1 20 LYS HA 1 20 LYS HG3 . . 3.790 2.294 2.177 2.867 . 0 0 "[ . 1 . 2]" 2
492 1 22 PHE QD 1 28 LEU HA . . 3.950 3.086 2.885 3.302 . 0 0 "[ . 1 . 2]" 2
493 1 31 HIS HD2 1 32 GLN HG2 . . 4.530 3.641 3.442 3.857 . 0 0 "[ . 1 . 2]" 2
494 1 31 HIS HD2 1 32 GLN HG3 . . 4.530 4.033 3.799 4.419 . 0 0 "[ . 1 . 2]" 2
495 1 22 PHE HB3 1 28 LEU HA . . 4.880 4.058 3.762 4.415 . 0 0 "[ . 1 . 2]" 2
496 1 28 LEU HA 1 31 HIS HB3 . . 3.420 2.804 2.607 2.972 . 0 0 "[ . 1 . 2]" 2
497 1 22 PHE HB2 1 28 LEU HA . . 4.860 3.818 3.648 4.023 . 0 0 "[ . 1 . 2]" 2
498 1 28 LEU HA 1 28 LEU HG . . 4.030 3.390 3.338 3.446 . 0 0 "[ . 1 . 2]" 2
499 1 28 LEU HG 1 32 GLN HG3 . . 4.290 2.555 2.190 2.657 . 0 0 "[ . 1 . 2]" 2
500 1 28 LEU HA 1 28 LEU MD1 . . 3.130 2.221 2.020 2.483 . 0 0 "[ . 1 . 2]" 2
501 1 28 LEU MD1 1 32 GLN HG3 . . 3.840 2.243 1.987 2.689 . 0 0 "[ . 1 . 2]" 2
502 1 27 GLN HA 1 30 VAL MG1 . . 4.710 4.498 4.343 4.623 . 0 0 "[ . 1 . 2]" 2
503 1 26 SER HA 1 29 ILE MD . . 3.560 2.249 2.005 2.473 . 0 0 "[ . 1 . 2]" 2
504 1 29 ILE HA 1 29 ILE MD . . 4.040 3.868 3.845 3.881 . 0 0 "[ . 1 . 2]" 2
505 1 25 ASN HB3 1 29 ILE MD . . 4.760 3.064 2.672 3.353 . 0 0 "[ . 1 . 2]" 2
506 1 25 ASN HB2 1 29 ILE MD . . 5.010 4.377 4.013 4.613 . 0 0 "[ . 1 . 2]" 2
507 1 29 ILE HB 1 29 ILE MD . . 3.430 2.240 2.158 2.357 . 0 0 "[ . 1 . 2]" 2
508 1 29 ILE MD 1 30 VAL MG2 . . 4.700 4.381 4.256 4.554 . 0 0 "[ . 1 . 2]" 2
509 1 29 ILE MD 1 29 ILE MG . . 2.980 2.242 2.043 2.357 . 0 0 "[ . 1 . 2]" 2
510 1 27 GLN HA 1 27 GLN HG2 . . 3.870 2.725 2.502 2.842 . 0 0 "[ . 1 . 2]" 2
511 1 27 GLN HA 1 27 GLN HG3 . . 3.870 3.738 3.540 3.842 . 0 0 "[ . 1 . 2]" 2
512 1 24 ARG HB2 1 27 GLN HG2 . . 4.240 2.530 2.031 3.250 . 0 0 "[ . 1 . 2]" 2
513 1 9 ARG HA 1 9 ARG QG . . 3.740 2.609 2.136 3.425 . 0 0 "[ . 1 . 2]" 2
514 1 13 TYR QD 1 25 ASN HA . . 4.120 2.872 2.697 3.164 . 0 0 "[ . 1 . 2]" 2
515 1 13 TYR QE 1 25 ASN HA . . 4.130 3.333 3.105 3.682 . 0 0 "[ . 1 . 2]" 2
516 1 25 ASN HA 1 27 GLN H . . 4.920 4.084 3.927 4.253 . 0 0 "[ . 1 . 2]" 2
517 1 13 TYR HB3 1 25 ASN HA . . 4.270 3.340 3.113 3.480 . 0 0 "[ . 1 . 2]" 2
518 1 15 CYS HB2 1 20 LYS HB3 . . 4.740 2.380 2.052 2.756 . 0 0 "[ . 1 . 2]" 2
519 1 13 TYR HB2 1 25 ASN HA . . 4.450 4.022 3.761 4.211 . 0 0 "[ . 1 . 2]" 2
520 1 25 ASN HA 1 28 LEU HB3 . . 3.470 2.701 2.537 2.812 . 0 0 "[ . 1 . 2]" 2
521 1 25 ASN HA 1 28 LEU HG . . 5.060 4.865 4.555 5.017 . 0 0 "[ . 1 . 2]" 2
522 1 25 ASN HA 1 28 LEU HB2 . . 3.940 3.856 3.696 3.948 0.008 13 0 "[ . 1 . 2]" 2
523 1 25 ASN HA 1 28 LEU MD2 . . 3.990 3.506 3.298 3.642 . 0 0 "[ . 1 . 2]" 2
524 1 20 LYS HB2 1 21 ALA H . . 4.440 3.758 3.700 3.987 . 0 0 "[ . 1 . 2]" 2
525 1 20 LYS HB3 1 21 ALA H . . 3.940 2.901 2.579 3.166 . 0 0 "[ . 1 . 2]" 2
526 1 20 LYS HB2 1 22 PHE QE . . 4.410 3.615 3.437 3.742 . 0 0 "[ . 1 . 2]" 2
527 1 20 LYS HB2 1 22 PHE HZ . . 4.780 3.924 3.452 4.229 . 0 0 "[ . 1 . 2]" 2
528 1 24 ARG HB3 1 27 GLN H . . 4.340 3.770 3.599 3.983 . 0 0 "[ . 1 . 2]" 2
529 1 24 ARG HB3 1 27 GLN HG3 . . 4.830 3.930 3.550 4.282 . 0 0 "[ . 1 . 2]" 2
530 1 24 ARG HB2 1 27 GLN HG3 . . 4.240 2.232 1.991 2.565 . 0 0 "[ . 1 . 2]" 2
531 1 24 ARG HB3 1 27 GLN HG2 . . 4.830 4.076 3.511 4.837 0.007 11 0 "[ . 1 . 2]" 2
532 1 11 LYS HB3 1 13 TYR H . . 5.070 3.262 2.970 3.582 . 0 0 "[ . 1 . 2]" 2
533 1 14 GLU QB 1 21 ALA HA . . 4.560 4.088 4.014 4.168 . 0 0 "[ . 1 . 2]" 2
534 1 13 TYR HA 1 14 GLU QB . . 4.730 4.065 4.009 4.108 . 0 0 "[ . 1 . 2]" 2
535 1 14 GLU QB 1 15 CYS HA . . 5.200 4.426 4.286 4.494 . 0 0 "[ . 1 . 2]" 2
536 1 14 GLU QB 1 19 GLY HA2 . . 4.860 3.423 3.310 3.720 . 0 0 "[ . 1 . 2]" 2
537 1 14 GLU QB 1 14 GLU HG2 . . 2.770 2.199 2.195 2.201 . 0 0 "[ . 1 . 2]" 2
538 1 14 GLU QB 1 21 ALA MB . . 4.640 4.486 4.415 4.578 . 0 0 "[ . 1 . 2]" 2
539 1 11 LYS HB2 1 21 ALA MB . . 3.450 1.815 1.765 1.882 . 0 0 "[ . 1 . 2]" 2
540 1 18 CYS HB2 1 19 GLY H . . 4.830 3.710 3.623 3.813 . 0 0 "[ . 1 . 2]" 2
541 1 18 CYS HB2 1 20 LYS H . . 4.310 3.960 3.814 4.054 . 0 0 "[ . 1 . 2]" 2
542 1 17 GLU QB 1 18 CYS HB2 . . 5.270 4.936 4.904 4.958 . 0 0 "[ . 1 . 2]" 2
543 1 18 CYS HB2 1 20 LYS HB2 . . 5.500 4.672 4.479 4.966 . 0 0 "[ . 1 . 2]" 2
544 1 17 GLU QB 1 18 CYS HB3 . . 4.420 3.615 3.567 3.674 . 0 0 "[ . 1 . 2]" 2
545 1 12 PRO HB2 1 13 TYR HA . . 5.060 4.021 3.968 4.111 . 0 0 "[ . 1 . 2]" 2
546 1 27 GLN HA 1 30 VAL HB . . 3.690 3.339 3.146 3.468 . 0 0 "[ . 1 . 2]" 2
547 1 11 LYS HA 1 23 ILE HA . . 4.150 3.788 3.440 4.147 . 0 0 "[ . 1 . 2]" 2
548 1 10 GLU HB3 1 11 LYS H . . 4.690 3.534 2.316 4.444 . 0 0 "[ . 1 . 2]" 2
549 1 33 ARG HB2 1 33 ARG QD . . 3.800 2.698 2.387 3.131 . 0 0 "[ . 1 . 2]" 2
550 1 33 ARG H 1 33 ARG HB2 . . 3.830 2.534 2.443 2.664 . 0 0 "[ . 1 . 2]" 2
551 1 33 ARG H 1 33 ARG HB3 . . 3.830 3.588 3.583 3.595 . 0 0 "[ . 1 . 2]" 2
552 1 15 CYS HB2 1 22 PHE QD . . 4.870 4.380 4.245 4.537 . 0 0 "[ . 1 . 2]" 2
553 1 15 CYS HB3 1 31 HIS HD2 . . 3.940 3.719 3.533 3.942 0.002 11 0 "[ . 1 . 2]" 2
554 1 15 CYS HB3 1 22 PHE QE . . 4.360 3.861 3.416 4.188 . 0 0 "[ . 1 . 2]" 2
555 1 14 GLU HA 1 15 CYS HB2 . . 4.620 4.408 4.343 4.466 . 0 0 "[ . 1 . 2]" 2
556 1 14 GLU HA 1 15 CYS HB3 . . 5.110 4.818 4.736 4.880 . 0 0 "[ . 1 . 2]" 2
557 1 15 CYS HB3 1 19 GLY HA2 . . 4.770 3.577 3.488 3.710 . 0 0 "[ . 1 . 2]" 2
558 1 15 CYS HB3 1 20 LYS HB2 . . 4.350 3.070 2.826 3.256 . 0 0 "[ . 1 . 2]" 2
559 1 15 CYS HB2 1 20 LYS HB2 . . 4.580 3.109 2.733 3.342 . 0 0 "[ . 1 . 2]" 2
560 1 15 CYS HB3 1 20 LYS HB3 . . 4.710 3.126 2.889 3.488 . 0 0 "[ . 1 . 2]" 2
561 1 15 CYS HB3 1 28 LEU MD1 . . 3.900 3.762 3.482 3.906 0.006 15 0 "[ . 1 . 2]" 2
562 1 15 CYS HB2 1 28 LEU MD1 . . 3.450 2.544 2.291 2.694 . 0 0 "[ . 1 . 2]" 2
563 1 15 CYS HB3 1 17 GLU QB . . 5.140 4.124 3.949 4.304 . 0 0 "[ . 1 . 2]" 2
564 1 11 LYS HA 1 11 LYS QD . . 4.700 3.162 2.526 4.078 . 0 0 "[ . 1 . 2]" 2
565 1 11 LYS QD 1 21 ALA MB . . 3.970 2.642 1.798 3.699 . 0 0 "[ . 1 . 2]" 2
566 1 20 LYS HD2 1 22 PHE HZ . . 4.630 3.735 2.200 4.728 0.098 19 0 "[ . 1 . 2]" 2
567 1 24 ARG H 1 27 GLN HB3 . . 4.510 4.109 3.880 4.351 . 0 0 "[ . 1 . 2]" 2
568 1 27 GLN H 1 27 GLN HB3 . . 3.880 3.591 3.581 3.598 . 0 0 "[ . 1 . 2]" 2
569 1 22 PHE HB2 1 27 GLN HB3 . . 4.990 4.507 4.361 4.903 . 0 0 "[ . 1 . 2]" 2
570 1 24 ARG HB2 1 27 GLN HB3 . . 4.990 4.730 4.445 4.961 . 0 0 "[ . 1 . 2]" 2
571 1 13 TYR QE 1 25 ASN HD22 . . 4.690 4.379 4.114 4.696 0.006 10 0 "[ . 1 . 2]" 2
572 1 13 TYR HA 1 13 TYR QE . . 4.880 4.625 4.581 4.666 . 0 0 "[ . 1 . 2]" 2
573 1 13 TYR QE 1 23 ILE HA . . 4.790 4.508 4.305 4.608 . 0 0 "[ . 1 . 2]" 2
574 1 13 TYR QE 1 25 ASN HB3 . . 4.610 3.820 3.682 4.199 . 0 0 "[ . 1 . 2]" 2
575 1 13 TYR QE 1 25 ASN HB2 . . 3.980 2.275 2.095 2.674 . 0 0 "[ . 1 . 2]" 2
576 1 12 PRO HG3 1 13 TYR QE . . 4.110 3.854 3.666 4.064 . 0 0 "[ . 1 . 2]" 2
577 1 17 GLU QB 1 35 HIS HB3 . . 5.100 3.256 2.893 3.802 . 0 0 "[ . 1 . 2]" 2
578 1 12 PRO HB2 1 13 TYR QE . . 4.790 4.335 4.161 4.581 . 0 0 "[ . 1 . 2]" 2
579 1 13 TYR QE 1 23 ILE MG . . 4.840 4.291 4.109 4.488 . 0 0 "[ . 1 . 2]" 2
580 1 13 TYR QE 1 28 LEU MD2 . . 5.350 4.616 4.463 4.849 . 0 0 "[ . 1 . 2]" 2
581 1 31 HIS HB2 1 32 GLN H . . 4.250 4.135 3.949 4.237 . 0 0 "[ . 1 . 2]" 2
582 1 22 PHE QE 1 31 HIS HB2 . . 4.230 2.515 2.132 2.869 . 0 0 "[ . 1 . 2]" 2
583 1 26 SER HA 1 29 ILE HG12 . . 5.130 4.777 4.524 4.950 . 0 0 "[ . 1 . 2]" 2
584 1 28 LEU HA 1 31 HIS HB2 . . 3.900 3.757 3.576 3.880 . 0 0 "[ . 1 . 2]" 2
585 1 28 LEU MD1 1 31 HIS HB2 . . 4.490 4.182 3.980 4.358 . 0 0 "[ . 1 . 2]" 2
586 1 23 ILE HA 1 23 ILE HG13 . . 4.100 2.807 2.368 3.794 . 0 0 "[ . 1 . 2]" 2
587 1 29 ILE HA 1 32 GLN HB2 . . 3.580 2.519 2.312 2.838 . 0 0 "[ . 1 . 2]" 2
588 1 28 LEU MD1 1 32 GLN HB3 . . 4.990 4.630 4.273 4.914 . 0 0 "[ . 1 . 2]" 2
589 1 12 PRO QD 1 13 TYR QE . . 4.740 4.642 4.431 4.747 0.007 20 0 "[ . 1 . 2]" 2
590 1 18 CYS HA 1 35 HIS HE1 . . 4.620 4.530 4.356 4.625 0.005 18 0 "[ . 1 . 2]" 2
591 1 14 GLU HA 1 21 ALA HA . . 3.340 2.215 2.143 2.275 . 0 0 "[ . 1 . 2]" 2
592 1 11 LYS HA 1 12 PRO QD . . 2.880 1.967 1.918 2.083 . 0 0 "[ . 1 . 2]" 2
593 1 12 PRO QD 1 23 ILE HA . . 3.430 2.332 1.985 2.573 . 0 0 "[ . 1 . 2]" 2
594 1 18 CYS HB2 1 35 HIS HE1 . . 4.650 4.637 4.529 4.657 0.007 18 0 "[ . 1 . 2]" 2
595 1 18 CYS HB3 1 35 HIS HE1 . . 3.310 2.917 2.807 2.948 . 0 0 "[ . 1 . 2]" 2
596 1 11 LYS HB2 1 12 PRO QD . . 4.340 3.957 3.624 4.090 . 0 0 "[ . 1 . 2]" 2
597 1 11 LYS HB3 1 12 PRO QD . . 4.040 2.801 2.183 3.061 . 0 0 "[ . 1 . 2]" 2
598 1 11 LYS HG3 1 12 PRO QD . . 4.960 2.816 2.611 3.515 . 0 0 "[ . 1 . 2]" 2
599 1 33 ARG HA 1 33 ARG HG3 . . 4.070 3.277 3.137 3.438 . 0 0 "[ . 1 . 2]" 2
600 1 30 VAL HA 1 33 ARG HG2 . . 4.830 3.757 3.521 3.940 . 0 0 "[ . 1 . 2]" 2
601 1 31 HIS HE1 1 34 THR MG . . 4.570 4.196 2.801 4.566 . 0 0 "[ . 1 . 2]" 2
602 1 28 LEU HG 1 29 ILE HA . . 4.520 3.104 2.967 3.252 . 0 0 "[ . 1 . 2]" 2
603 1 28 LEU HG 1 32 GLN HG2 . . 4.290 3.925 3.609 4.160 . 0 0 "[ . 1 . 2]" 2
604 1 28 LEU HG 1 29 ILE H . . 4.830 2.940 2.711 3.140 . 0 0 "[ . 1 . 2]" 2
605 1 24 ARG QG 1 27 GLN H . . 5.050 4.755 4.607 4.911 . 0 0 "[ . 1 . 2]" 2
606 1 40 GLY HA2 1 41 PRO QD . . 3.560 2.475 1.929 3.468 . 0 0 "[ . 1 . 2]" 2
607 1 40 GLY HA3 1 41 PRO QD . . 3.560 2.591 1.880 3.434 . 0 0 "[ . 1 . 2]" 2
608 1 24 ARG QG 1 27 GLN HG3 . . 4.610 3.259 3.016 3.589 . 0 0 "[ . 1 . 2]" 2
609 1 24 ARG QG 1 27 GLN HG2 . . 4.610 4.025 3.666 4.603 . 0 0 "[ . 1 . 2]" 2
610 1 23 ILE MG 1 24 ARG QG . . 3.660 2.386 2.088 2.598 . 0 0 "[ . 1 . 2]" 2
611 1 12 PRO HG2 1 13 TYR QD . . 4.980 2.228 2.033 2.397 . 0 0 "[ . 1 . 2]" 2
612 1 12 PRO HG2 1 13 TYR QE . . 5.050 3.183 2.964 3.340 . 0 0 "[ . 1 . 2]" 2
613 1 11 LYS HA 1 12 PRO HG2 . . 4.940 4.325 4.247 4.502 . 0 0 "[ . 1 . 2]" 2
614 1 12 PRO HG2 1 13 TYR HA . . 5.320 4.350 4.293 4.404 . 0 0 "[ . 1 . 2]" 2
615 1 11 LYS HA 1 12 PRO HG3 . . 4.760 4.359 4.325 4.465 . 0 0 "[ . 1 . 2]" 2
616 1 12 PRO HG3 1 23 ILE HA . . 5.130 3.930 3.506 4.224 . 0 0 "[ . 1 . 2]" 2
617 1 20 LYS H 1 20 LYS HG2 . . 4.670 4.603 4.337 4.645 . 0 0 "[ . 1 . 2]" 2
618 1 22 PHE QD 1 28 LEU MD2 . . 4.580 3.510 3.222 3.877 . 0 0 "[ . 1 . 2]" 2
619 1 13 TYR HA 1 28 LEU MD2 . . 4.220 3.397 3.215 3.645 . 0 0 "[ . 1 . 2]" 2
620 1 15 CYS HA 1 28 LEU MD2 . . 4.430 2.935 2.533 3.312 . 0 0 "[ . 1 . 2]" 2
621 1 28 LEU HA 1 28 LEU MD2 . . 4.470 3.933 3.869 3.978 . 0 0 "[ . 1 . 2]" 2
622 1 11 LYS HA 1 11 LYS HG3 . . 4.110 2.250 2.161 2.424 . 0 0 "[ . 1 . 2]" 2
623 1 11 LYS HA 1 11 LYS HG2 . . 4.110 3.405 2.729 3.609 . 0 0 "[ . 1 . 2]" 2
624 1 11 LYS HG2 1 12 PRO QD . . 4.960 3.595 2.679 4.001 . 0 0 "[ . 1 . 2]" 2
625 1 34 THR HB 1 35 HIS H . . 4.820 3.900 3.802 4.069 . 0 0 "[ . 1 . 2]" 2
626 1 34 THR HA 1 34 THR HB . . 3.020 2.458 2.389 2.505 . 0 0 "[ . 1 . 2]" 2
627 1 9 ARG QB 1 10 GLU H . . 4.400 3.377 2.527 4.042 . 0 0 "[ . 1 . 2]" 2
628 1 9 ARG QB 1 11 LYS H . . 4.230 3.582 2.520 4.219 . 0 0 "[ . 1 . 2]" 2
629 1 10 GLU H 1 10 GLU QB . . 3.540 2.400 2.180 2.864 . 0 0 "[ . 1 . 2]" 2
630 1 10 GLU H 1 10 GLU QG . . 4.520 3.207 2.162 4.097 . 0 0 "[ . 1 . 2]" 2
631 1 10 GLU QB 1 11 LYS H . . 3.900 3.057 2.288 3.907 0.007 19 0 "[ . 1 . 2]" 2
632 1 11 LYS H 1 11 LYS QG . . 4.190 3.496 2.811 4.002 . 0 0 "[ . 1 . 2]" 2
633 1 11 LYS HA 1 11 LYS QG . . 3.570 2.209 2.140 2.347 . 0 0 "[ . 1 . 2]" 2
634 1 11 LYS QG 1 12 PRO HG2 . . 4.890 4.630 4.527 4.706 . 0 0 "[ . 1 . 2]" 2
635 1 11 LYS QG 1 12 PRO HG3 . . 5.200 5.089 4.943 5.207 0.007 5 0 "[ . 1 . 2]" 2
636 1 11 LYS QG 1 12 PRO QD . . 4.100 2.637 2.554 2.720 . 0 0 "[ . 1 . 2]" 2
637 1 11 LYS QG 1 13 TYR H . . 4.890 4.334 4.138 4.529 . 0 0 "[ . 1 . 2]" 2
638 1 11 LYS QG 1 23 ILE H . . 4.160 3.166 2.833 3.589 . 0 0 "[ . 1 . 2]" 2
639 1 11 LYS QG 1 23 ILE HA . . 4.440 2.621 2.412 2.797 . 0 0 "[ . 1 . 2]" 2
640 1 11 LYS QG 1 23 ILE QG . . 4.340 2.270 1.957 2.872 . 0 0 "[ . 1 . 2]" 2
641 1 15 CYS HA 1 32 GLN QE . . 3.870 2.956 2.496 3.424 . 0 0 "[ . 1 . 2]" 2
642 1 16 SER QB 1 17 GLU H . . 4.270 3.676 3.366 4.033 . 0 0 "[ . 1 . 2]" 2
643 1 17 GLU H 1 17 GLU QG . . 3.170 2.484 2.362 2.805 . 0 0 "[ . 1 . 2]" 2
644 1 17 GLU H 1 32 GLN QE . . 4.920 3.843 2.946 4.500 . 0 0 "[ . 1 . 2]" 2
645 1 17 GLU QG 1 18 CYS H . . 3.920 3.766 3.669 3.841 . 0 0 "[ . 1 . 2]" 2
646 1 17 GLU QG 1 19 GLY H . . 5.340 5.196 5.078 5.327 . 0 0 "[ . 1 . 2]" 2
647 1 17 GLU QG 1 35 HIS HB3 . . 4.920 2.571 1.988 3.992 . 0 0 "[ . 1 . 2]" 2
648 1 17 GLU QG 1 35 HIS HD2 . . 4.810 3.099 2.695 3.561 . 0 0 "[ . 1 . 2]" 2
649 1 20 LYS H 1 20 LYS QG . . 4.060 3.886 3.695 3.986 . 0 0 "[ . 1 . 2]" 2
650 1 20 LYS QG 1 21 ALA H . . 2.960 1.824 1.773 1.872 . 0 0 "[ . 1 . 2]" 2
651 1 20 LYS QG 1 22 PHE QE . . 4.300 3.126 2.720 4.152 . 0 0 "[ . 1 . 2]" 2
652 1 20 LYS QG 1 22 PHE HZ . . 4.400 3.093 1.984 4.217 . 0 0 "[ . 1 . 2]" 2
653 1 20 LYS QD 1 22 PHE QE . . 4.440 3.359 2.765 4.259 . 0 0 "[ . 1 . 2]" 2
654 1 20 LYS QD 1 22 PHE HZ . . 3.830 2.488 1.990 3.721 . 0 0 "[ . 1 . 2]" 2
655 1 20 LYS QE 1 21 ALA H . . 5.300 3.965 3.691 4.268 . 0 0 "[ . 1 . 2]" 2
656 1 20 LYS QE 1 31 HIS HE1 . . 5.340 3.603 2.535 4.433 . 0 0 "[ . 1 . 2]" 2
657 1 22 PHE HB2 1 27 GLN QG . . 5.340 4.700 4.564 4.850 . 0 0 "[ . 1 . 2]" 2
658 1 22 PHE HB3 1 27 GLN QG . . 4.100 3.476 3.320 3.641 . 0 0 "[ . 1 . 2]" 2
659 1 22 PHE QD 1 27 GLN QG . . 4.750 4.147 3.934 4.329 . 0 0 "[ . 1 . 2]" 2
660 1 23 ILE H 1 23 ILE QG . . 3.070 2.573 2.232 3.055 . 0 0 "[ . 1 . 2]" 2
661 1 23 ILE H 1 27 GLN QG . . 5.340 3.524 3.193 3.989 . 0 0 "[ . 1 . 2]" 2
662 1 23 ILE QG 1 23 ILE MG . . 3.030 2.156 1.950 2.402 . 0 0 "[ . 1 . 2]" 2
663 1 23 ILE MG 1 24 ARG QD . . 4.810 3.375 2.434 4.191 . 0 0 "[ . 1 . 2]" 2
664 1 23 ILE QG 1 24 ARG H . . 5.310 4.127 3.844 4.422 . 0 0 "[ . 1 . 2]" 2
665 1 23 ILE MD 1 27 GLN QE . . 4.570 3.717 3.119 4.516 . 0 0 "[ . 1 . 2]" 2
666 1 24 ARG H 1 27 GLN QG . . 3.440 2.276 2.155 2.385 . 0 0 "[ . 1 . 2]" 2
667 1 24 ARG HB2 1 27 GLN QG . . 3.590 1.999 1.859 2.148 . 0 0 "[ . 1 . 2]" 2
668 1 24 ARG HB3 1 24 ARG QD . . 3.710 2.467 2.070 2.946 . 0 0 "[ . 1 . 2]" 2
669 1 24 ARG QG 1 27 GLN QG . . 3.970 3.120 2.888 3.461 . 0 0 "[ . 1 . 2]" 2
670 1 24 ARG QG 1 27 GLN QE . . 4.250 3.606 3.111 4.172 . 0 0 "[ . 1 . 2]" 2
671 1 27 GLN H 1 27 GLN QG . . 2.730 2.080 1.994 2.210 . 0 0 "[ . 1 . 2]" 2
672 1 27 GLN HA 1 27 GLN QG . . 3.360 2.662 2.454 2.771 . 0 0 "[ . 1 . 2]" 2
673 1 27 GLN HA 1 27 GLN QE . . 4.810 4.377 4.090 4.464 . 0 0 "[ . 1 . 2]" 2
674 1 27 GLN HB2 1 27 GLN QE . . 4.260 3.819 2.273 4.213 . 0 0 "[ . 1 . 2]" 2
675 1 27 GLN HB3 1 27 GLN QE . . 3.580 3.376 2.315 3.583 0.003 18 0 "[ . 1 . 2]" 2
676 1 27 GLN QG 1 28 LEU H . . 4.020 3.815 3.635 3.907 . 0 0 "[ . 1 . 2]" 2
677 1 27 GLN QG 1 30 VAL MG2 . . 5.340 4.726 4.485 4.973 . 0 0 "[ . 1 . 2]" 2
678 1 28 LEU HA 1 32 GLN QG . . 4.500 4.135 3.791 4.334 . 0 0 "[ . 1 . 2]" 2
679 1 28 LEU HG 1 32 GLN QG . . 3.710 2.523 2.172 2.628 . 0 0 "[ . 1 . 2]" 2
680 1 28 LEU MD1 1 32 GLN QE . . 3.500 2.868 2.404 3.229 . 0 0 "[ . 1 . 2]" 2
681 1 28 LEU MD2 1 32 GLN QG . . 4.160 3.617 3.346 3.745 . 0 0 "[ . 1 . 2]" 2
682 1 28 LEU MD2 1 32 GLN QE . . 3.850 3.314 2.854 3.526 . 0 0 "[ . 1 . 2]" 2
683 1 29 ILE H 1 32 GLN QG . . 4.520 4.248 4.109 4.392 . 0 0 "[ . 1 . 2]" 2
684 1 29 ILE HA 1 32 GLN QG . . 3.950 2.833 2.563 3.112 . 0 0 "[ . 1 . 2]" 2
685 1 29 ILE HA 1 32 GLN QE . . 5.340 4.797 4.623 5.106 . 0 0 "[ . 1 . 2]" 2
686 1 30 VAL HA 1 33 ARG QB . . 4.920 3.509 3.222 3.668 . 0 0 "[ . 1 . 2]" 2
687 1 31 HIS HD2 1 32 GLN QE . . 5.340 4.905 4.660 5.240 . 0 0 "[ . 1 . 2]" 2
688 1 32 GLN H 1 32 GLN QG . . 2.840 2.481 2.199 2.669 . 0 0 "[ . 1 . 2]" 2
689 1 32 GLN HA 1 32 GLN QG . . 3.260 2.325 2.273 2.374 . 0 0 "[ . 1 . 2]" 2
690 1 32 GLN HA 1 32 GLN QE . . 4.280 4.182 4.041 4.276 . 0 0 "[ . 1 . 2]" 2
691 1 32 GLN HB3 1 32 GLN QE . . 4.160 3.439 3.216 3.702 . 0 0 "[ . 1 . 2]" 2
692 1 32 GLN QE 1 32 GLN QG . . 2.890 2.077 2.066 2.128 . 0 0 "[ . 1 . 2]" 2
693 1 32 GLN QG 1 33 ARG H . . 4.680 4.228 4.102 4.322 . 0 0 "[ . 1 . 2]" 2
694 1 32 GLN QG 1 35 HIS HD2 . . 4.090 3.835 3.538 4.085 . 0 0 "[ . 1 . 2]" 2
695 1 33 ARG H 1 33 ARG QB . . 3.350 2.485 2.405 2.596 . 0 0 "[ . 1 . 2]" 2
696 1 33 ARG HA 1 36 SER QB . . 4.520 3.118 2.688 3.826 . 0 0 "[ . 1 . 2]" 2
697 1 33 ARG QB 1 33 ARG QD . . 3.140 2.231 2.040 2.376 . 0 0 "[ . 1 . 2]" 2
698 1 33 ARG QB 1 34 THR H . . 3.810 2.629 2.492 2.831 . 0 0 "[ . 1 . 2]" 2
699 1 38 GLU H 1 38 GLU QB . . 3.510 2.606 2.163 3.175 . 0 0 "[ . 1 . 2]" 2
700 1 40 GLY QA 1 41 PRO QD . . 3.110 1.977 1.853 2.250 . 0 0 "[ . 1 . 2]" 2
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