NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
509423 |
2ytr   |
10223 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ytr
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 50
_Distance_constraint_stats_list.Viol_total 1.183
_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 0.0012
_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 0.034 0.004 13 0 "[ . 1 . 2]"
1 18 CYS 0.011 0.002 19 0 "[ . 1 . 2]"
1 31 HIS 0.019 0.003 3 0 "[ . 1 . 2]"
1 35 HIS 0.025 0.003 3 0 "[ . 1 . 2]"
2 1 ZN 0.029 0.004 13 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 2.384 2.335 2.394 0.004 13 0 "[ . 1 . 2]" 1
2 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.256 3.246 3.284 0.004 13 0 "[ . 1 . 2]" 1
3 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.340 2.189 2.391 0.001 7 0 "[ . 1 . 2]" 1
4 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.467 3.362 3.510 . 0 0 "[ . 1 . 2]" 1
5 1 31 HIS NE2 2 1 ZN ZN . . 2.100 2.074 1.993 2.101 0.001 13 0 "[ . 1 . 2]" 1
6 1 35 HIS NE2 2 1 ZN ZN . . 2.100 1.949 1.900 2.054 0.000 19 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.783 3.697 3.863 . 0 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.651 3.550 3.721 0.001 7 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.335 3.318 3.440 0.002 19 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.348 3.318 3.410 0.002 19 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.675 3.540 3.721 0.001 19 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.532 3.107 3.603 0.003 3 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 489
_Distance_constraint_stats_list.Viol_count 367
_Distance_constraint_stats_list.Viol_total 153.885
_Distance_constraint_stats_list.Viol_max 0.199
_Distance_constraint_stats_list.Viol_rms 0.0074
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0210
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLY 0.001 0.001 5 0 "[ . 1 . 2]"
1 10 GLU 0.014 0.009 11 0 "[ . 1 . 2]"
1 11 LYS 0.656 0.153 18 0 "[ . 1 . 2]"
1 12 PRO 0.415 0.076 18 0 "[ . 1 . 2]"
1 13 TYR 0.503 0.038 11 0 "[ . 1 . 2]"
1 14 LYS 1.518 0.194 13 0 "[ . 1 . 2]"
1 15 CYS 0.248 0.055 7 0 "[ . 1 . 2]"
1 16 ASN 0.156 0.099 13 0 "[ . 1 . 2]"
1 17 GLU 0.064 0.039 13 0 "[ . 1 . 2]"
1 18 CYS 0.123 0.018 11 0 "[ . 1 . 2]"
1 19 GLY 0.583 0.194 13 0 "[ . 1 . 2]"
1 20 LYS 0.106 0.033 8 0 "[ . 1 . 2]"
1 21 ALA 0.067 0.015 9 0 "[ . 1 . 2]"
1 22 PHE 0.146 0.013 8 0 "[ . 1 . 2]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLN 0.040 0.026 7 0 "[ . 1 . 2]"
1 25 THR 0.017 0.006 14 0 "[ . 1 . 2]"
1 26 SER 0.019 0.014 3 0 "[ . 1 . 2]"
1 27 LYS 0.051 0.026 7 0 "[ . 1 . 2]"
1 28 LEU 0.146 0.012 11 0 "[ . 1 . 2]"
1 29 ALA 0.160 0.014 13 0 "[ . 1 . 2]"
1 30 ARG 0.117 0.014 3 0 "[ . 1 . 2]"
1 31 HIS 1.153 0.199 19 0 "[ . 1 . 2]"
1 32 GLN 1.282 0.085 19 0 "[ . 1 . 2]"
1 33 ARG 1.043 0.055 15 0 "[ . 1 . 2]"
1 34 ILE 1.836 0.199 19 0 "[ . 1 . 2]"
1 35 HIS 0.101 0.030 19 0 "[ . 1 . 2]"
1 36 THR 0.506 0.062 11 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.445 0.110 10 0 "[ . 1 . 2]"
1 39 LYS 1.515 0.177 14 0 "[ . 1 . 2]"
1 40 PRO 0.931 0.177 14 0 "[ . 1 . 2]"
1 42 GLY 0.055 0.055 1 0 "[ . 1 . 2]"
1 43 PRO 0.055 0.055 1 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 16 ASN HA 1 16 ASN HD21 . . 4.490 3.618 2.661 4.309 . 0 0 "[ . 1 . 2]" 2
2 1 15 CYS HA 1 19 GLY H . . 5.000 4.534 4.404 4.717 . 0 0 "[ . 1 . 2]" 2
3 1 16 ASN HA 1 19 GLY H . . 5.350 4.558 3.875 4.880 . 0 0 "[ . 1 . 2]" 2
4 1 16 ASN HA 1 16 ASN HD22 . . 4.490 4.155 3.607 4.485 . 0 0 "[ . 1 . 2]" 2
5 1 15 CYS HB3 1 19 GLY H . . 3.920 2.085 1.892 2.637 . 0 0 "[ . 1 . 2]" 2
6 1 16 ASN QB 1 16 ASN HD22 . . 3.650 3.265 3.213 3.331 . 0 0 "[ . 1 . 2]" 2
7 1 15 CYS HB2 1 19 GLY H . . 4.300 3.808 3.571 4.317 0.017 11 0 "[ . 1 . 2]" 2
8 1 18 CYS HB3 1 19 GLY H . . 4.630 3.888 3.833 4.063 . 0 0 "[ . 1 . 2]" 2
9 1 14 LYS QD 1 19 GLY H . . 4.320 3.894 3.616 4.514 0.194 13 0 "[ . 1 . 2]" 2
10 1 17 GLU QB 1 19 GLY H . . 4.310 4.134 3.986 4.349 0.039 13 0 "[ . 1 . 2]" 2
11 1 19 GLY H 1 20 LYS HB3 . . 4.900 4.589 4.504 4.774 . 0 0 "[ . 1 . 2]" 2
12 1 32 GLN HE22 1 33 ARG QD . . 5.500 5.470 5.009 5.543 0.043 4 0 "[ . 1 . 2]" 2
13 1 32 GLN HE22 1 32 GLN QG . . 3.500 3.444 3.405 3.453 . 0 0 "[ . 1 . 2]" 2
14 1 32 GLN HB2 1 32 GLN HE21 . . 4.450 1.933 1.880 2.238 . 0 0 "[ . 1 . 2]" 2
15 1 32 GLN HB3 1 32 GLN HE22 . . 4.250 3.825 3.737 3.848 . 0 0 "[ . 1 . 2]" 2
16 1 28 LEU HB3 1 32 GLN HE22 . . 5.500 5.426 5.327 5.505 0.005 14 0 "[ . 1 . 2]" 2
17 1 28 LEU HB3 1 32 GLN HE21 . . 5.500 5.361 5.262 5.455 . 0 0 "[ . 1 . 2]" 2
18 1 29 ALA MB 1 32 GLN HE22 . . 4.410 3.826 3.680 3.982 . 0 0 "[ . 1 . 2]" 2
19 1 28 LEU MD1 1 32 GLN HE21 . . 4.190 3.982 3.843 4.141 . 0 0 "[ . 1 . 2]" 2
20 1 28 LEU MD2 1 32 GLN HE21 . . 3.920 3.812 3.585 3.922 0.002 1 0 "[ . 1 . 2]" 2
21 1 15 CYS H 1 22 PHE QD . . 4.710 3.416 3.013 3.662 . 0 0 "[ . 1 . 2]" 2
22 1 15 CYS H 1 21 ALA HA . . 4.170 3.937 3.647 4.070 . 0 0 "[ . 1 . 2]" 2
23 1 15 CYS H 1 15 CYS HB3 . . 3.800 2.761 2.610 2.901 . 0 0 "[ . 1 . 2]" 2
24 1 15 CYS H 1 15 CYS HB2 . . 3.660 2.366 2.212 2.587 . 0 0 "[ . 1 . 2]" 2
25 1 14 LYS QB 1 15 CYS H . . 3.910 2.711 2.330 3.064 . 0 0 "[ . 1 . 2]" 2
26 1 14 LYS QD 1 15 CYS H . . 4.330 2.942 2.580 4.017 . 0 0 "[ . 1 . 2]" 2
27 1 15 CYS H 1 20 LYS HB2 . . 4.830 4.447 4.295 4.834 0.004 8 0 "[ . 1 . 2]" 2
28 1 15 CYS H 1 20 LYS HD2 . . 5.230 4.557 4.316 4.771 . 0 0 "[ . 1 . 2]" 2
29 1 14 LYS QG 1 15 CYS H . . 4.040 3.868 2.328 4.095 0.055 7 0 "[ . 1 . 2]" 2
30 1 15 CYS H 1 20 LYS HB3 . . 4.200 3.407 3.260 3.632 . 0 0 "[ . 1 . 2]" 2
31 1 15 CYS H 1 28 LEU MD1 . . 3.990 2.958 2.194 3.218 . 0 0 "[ . 1 . 2]" 2
32 1 34 ILE HA 1 36 THR H . . 4.470 3.874 3.256 4.331 . 0 0 "[ . 1 . 2]" 2
33 1 36 THR H 1 36 THR HB . . 4.100 2.891 2.637 3.525 . 0 0 "[ . 1 . 2]" 2
34 1 33 ARG HA 1 36 THR H . . 4.670 3.845 3.385 4.663 . 0 0 "[ . 1 . 2]" 2
35 1 36 THR H 1 36 THR MG . . 3.780 1.949 1.853 2.305 . 0 0 "[ . 1 . 2]" 2
36 1 14 LYS H 1 15 CYS H . . 4.880 4.561 4.443 4.638 . 0 0 "[ . 1 . 2]" 2
37 1 13 TYR H 1 14 LYS H . . 4.340 3.499 2.943 4.025 . 0 0 "[ . 1 . 2]" 2
38 1 14 LYS H 1 22 PHE QD . . 4.840 4.815 4.668 4.853 0.013 8 0 "[ . 1 . 2]" 2
39 1 13 TYR QD 1 14 LYS H . . 4.890 4.820 4.696 4.927 0.037 13 0 "[ . 1 . 2]" 2
40 1 12 PRO HA 1 14 LYS H . . 4.560 3.943 3.385 4.544 . 0 0 "[ . 1 . 2]" 2
41 1 13 TYR HB2 1 14 LYS H . . 4.490 4.326 4.120 4.516 0.026 11 0 "[ . 1 . 2]" 2
42 1 13 TYR HB3 1 14 LYS H . . 4.490 4.296 4.104 4.473 . 0 0 "[ . 1 . 2]" 2
43 1 14 LYS H 1 14 LYS QB . . 3.280 2.545 2.338 2.837 . 0 0 "[ . 1 . 2]" 2
44 1 14 LYS H 1 14 LYS QG . . 3.530 2.342 1.992 2.659 . 0 0 "[ . 1 . 2]" 2
45 1 14 LYS H 1 28 LEU MD2 . . 4.850 4.486 3.961 4.843 . 0 0 "[ . 1 . 2]" 2
46 1 21 ALA H 1 22 PHE QE . . 5.100 4.961 4.799 5.105 0.005 8 0 "[ . 1 . 2]" 2
47 1 21 ALA H 1 21 ALA MB . . 3.210 2.249 2.136 2.326 . 0 0 "[ . 1 . 2]" 2
48 1 20 LYS HA 1 21 ALA H . . 3.270 2.150 2.140 2.168 . 0 0 "[ . 1 . 2]" 2
49 1 14 LYS QE 1 21 ALA H . . 5.420 4.838 3.399 5.149 . 0 0 "[ . 1 . 2]" 2
50 1 20 LYS HD2 1 21 ALA H . . 3.530 3.301 3.060 3.532 0.002 10 0 "[ . 1 . 2]" 2
51 1 38 GLU H 1 39 LYS H . . 4.530 3.351 1.930 4.567 0.037 15 0 "[ . 1 . 2]" 2
52 1 39 LYS H 1 39 LYS QG . . 4.100 2.775 1.914 3.835 . 0 0 "[ . 1 . 2]" 2
53 1 15 CYS H 1 20 LYS H . . 4.560 2.674 2.435 3.112 . 0 0 "[ . 1 . 2]" 2
54 1 18 CYS HA 1 20 LYS H . . 5.500 5.425 5.165 5.510 0.010 8 0 "[ . 1 . 2]" 2
55 1 19 GLY H 1 20 LYS H . . 3.950 2.136 2.022 2.286 . 0 0 "[ . 1 . 2]" 2
56 1 20 LYS H 1 21 ALA H . . 4.550 4.444 4.349 4.503 . 0 0 "[ . 1 . 2]" 2
57 1 20 LYS H 1 22 PHE QE . . 4.310 3.593 3.348 3.906 . 0 0 "[ . 1 . 2]" 2
58 1 15 CYS HA 1 20 LYS H . . 4.570 4.409 4.252 4.575 0.005 13 0 "[ . 1 . 2]" 2
59 1 15 CYS HB3 1 20 LYS H . . 3.830 2.005 1.896 2.369 . 0 0 "[ . 1 . 2]" 2
60 1 15 CYS HB2 1 20 LYS H . . 3.690 2.961 2.612 3.471 . 0 0 "[ . 1 . 2]" 2
61 1 20 LYS H 1 20 LYS HB2 . . 3.300 2.565 2.435 2.718 . 0 0 "[ . 1 . 2]" 2
62 1 20 LYS H 1 20 LYS HB3 . . 3.560 2.748 2.703 2.794 . 0 0 "[ . 1 . 2]" 2
63 1 20 LYS H 1 28 LEU MD1 . . 5.140 4.708 4.536 4.892 . 0 0 "[ . 1 . 2]" 2
64 1 27 LYS H 1 28 LEU H . . 4.120 2.763 2.554 2.912 . 0 0 "[ . 1 . 2]" 2
65 1 26 SER HA 1 28 LEU H . . 4.860 4.526 4.362 4.769 . 0 0 "[ . 1 . 2]" 2
66 1 22 PHE HB3 1 28 LEU H . . 4.470 3.309 2.983 3.743 . 0 0 "[ . 1 . 2]" 2
67 1 22 PHE HB2 1 28 LEU H . . 4.470 3.268 3.039 3.738 . 0 0 "[ . 1 . 2]" 2
68 1 27 LYS QB 1 28 LEU H . . 4.000 2.524 2.362 2.690 . 0 0 "[ . 1 . 2]" 2
69 1 28 LEU H 1 28 LEU HB3 . . 3.640 2.248 2.205 2.275 . 0 0 "[ . 1 . 2]" 2
70 1 28 LEU H 1 29 ALA MB . . 4.480 4.459 4.324 4.489 0.009 9 0 "[ . 1 . 2]" 2
71 1 28 LEU H 1 28 LEU HB2 . . 3.890 2.791 2.755 2.849 . 0 0 "[ . 1 . 2]" 2
72 1 28 LEU H 1 28 LEU MD2 . . 4.200 4.082 4.029 4.125 . 0 0 "[ . 1 . 2]" 2
73 1 24 GLN H 1 27 LYS H . . 4.690 3.742 3.536 4.178 . 0 0 "[ . 1 . 2]" 2
74 1 25 THR HA 1 27 LYS H . . 5.400 4.403 4.050 4.722 . 0 0 "[ . 1 . 2]" 2
75 1 27 LYS H 1 27 LYS QB . . 3.810 2.320 2.154 2.580 . 0 0 "[ . 1 . 2]" 2
76 1 27 LYS H 1 27 LYS HG3 . . 4.260 3.630 3.307 4.019 . 0 0 "[ . 1 . 2]" 2
77 1 27 LYS H 1 27 LYS HG2 . . 4.260 3.001 1.914 4.145 . 0 0 "[ . 1 . 2]" 2
78 1 29 ALA H 1 30 ARG H . . 4.040 3.038 2.968 3.129 . 0 0 "[ . 1 . 2]" 2
79 1 28 LEU H 1 29 ALA H . . 3.840 2.924 2.848 2.985 . 0 0 "[ . 1 . 2]" 2
80 1 17 GLU H 1 18 CYS HA . . 5.420 5.259 4.847 5.438 0.018 11 0 "[ . 1 . 2]" 2
81 1 25 THR HA 1 29 ALA H . . 4.360 4.196 3.786 4.366 0.006 14 0 "[ . 1 . 2]" 2
82 1 28 LEU HB3 1 29 ALA H . . 3.610 2.439 2.333 2.528 . 0 0 "[ . 1 . 2]" 2
83 1 29 ALA H 1 29 ALA MB . . 3.160 2.093 2.030 2.140 . 0 0 "[ . 1 . 2]" 2
84 1 28 LEU HB2 1 29 ALA H . . 4.070 3.833 3.755 3.892 . 0 0 "[ . 1 . 2]" 2
85 1 28 LEU MD2 1 29 ALA H . . 3.880 3.440 3.240 3.610 . 0 0 "[ . 1 . 2]" 2
86 1 25 THR MG 1 29 ALA H . . 4.600 3.599 3.095 3.989 . 0 0 "[ . 1 . 2]" 2
87 1 17 GLU H 1 19 GLY H . . 4.200 3.879 3.194 4.201 0.001 5 0 "[ . 1 . 2]" 2
88 1 15 CYS HA 1 17 GLU H . . 4.110 3.438 3.317 3.547 . 0 0 "[ . 1 . 2]" 2
89 1 15 CYS HB3 1 17 GLU H . . 4.270 3.693 3.267 4.186 . 0 0 "[ . 1 . 2]" 2
90 1 16 ASN QB 1 17 GLU H . . 3.520 3.082 2.766 3.518 . 0 0 "[ . 1 . 2]" 2
91 1 17 GLU H 1 17 GLU HG3 . . 4.000 2.572 2.107 2.936 . 0 0 "[ . 1 . 2]" 2
92 1 17 GLU H 1 17 GLU HG2 . . 4.000 3.188 2.709 3.547 . 0 0 "[ . 1 . 2]" 2
93 1 17 GLU H 1 17 GLU QB . . 3.290 2.414 2.295 2.592 . 0 0 "[ . 1 . 2]" 2
94 1 36 THR MG 1 38 GLU H . . 4.830 3.130 1.858 4.712 . 0 0 "[ . 1 . 2]" 2
95 1 10 GLU H 1 10 GLU HB3 . . 3.980 3.663 3.591 3.830 . 0 0 "[ . 1 . 2]" 2
96 1 31 HIS H 1 31 HIS HB2 . . 3.420 3.099 3.000 3.163 . 0 0 "[ . 1 . 2]" 2
97 1 31 HIS H 1 31 HIS HB3 . . 3.670 2.237 2.204 2.273 . 0 0 "[ . 1 . 2]" 2
98 1 30 ARG QB 1 31 HIS H . . 3.600 2.862 2.679 2.974 . 0 0 "[ . 1 . 2]" 2
99 1 13 TYR H 1 13 TYR QD . . 3.750 1.993 1.899 2.207 . 0 0 "[ . 1 . 2]" 2
100 1 11 LYS HA 1 13 TYR H . . 4.510 3.117 3.053 3.375 . 0 0 "[ . 1 . 2]" 2
101 1 13 TYR H 1 13 TYR HB2 . . 3.960 2.458 2.386 2.510 . 0 0 "[ . 1 . 2]" 2
102 1 13 TYR H 1 13 TYR HB3 . . 3.960 3.622 3.599 3.647 . 0 0 "[ . 1 . 2]" 2
103 1 12 PRO HB3 1 13 TYR H . . 4.600 4.334 4.188 4.380 . 0 0 "[ . 1 . 2]" 2
104 1 12 PRO HG2 1 13 TYR H . . 3.980 2.834 2.474 2.959 . 0 0 "[ . 1 . 2]" 2
105 1 12 PRO HG3 1 13 TYR H . . 4.320 4.228 3.958 4.322 0.002 11 0 "[ . 1 . 2]" 2
106 1 12 PRO HB2 1 13 TYR H . . 4.600 3.666 3.416 3.746 . 0 0 "[ . 1 . 2]" 2
107 1 35 HIS H 1 36 THR H . . 4.070 2.369 2.100 2.819 . 0 0 "[ . 1 . 2]" 2
108 1 35 HIS H 1 35 HIS HD2 . . 4.250 3.883 3.073 4.191 . 0 0 "[ . 1 . 2]" 2
109 1 35 HIS H 1 35 HIS HB2 . . 3.810 2.314 2.217 2.361 . 0 0 "[ . 1 . 2]" 2
110 1 35 HIS H 1 35 HIS HB3 . . 3.810 3.573 3.504 3.609 . 0 0 "[ . 1 . 2]" 2
111 1 34 ILE HB 1 35 HIS H . . 4.560 4.400 4.006 4.524 . 0 0 "[ . 1 . 2]" 2
112 1 35 HIS H 1 36 THR MG . . 4.350 3.377 3.092 3.643 . 0 0 "[ . 1 . 2]" 2
113 1 34 ILE MD 1 35 HIS H . . 4.110 2.079 1.878 3.039 . 0 0 "[ . 1 . 2]" 2
114 1 34 ILE MG 1 35 HIS H . . 3.970 3.771 3.684 3.857 . 0 0 "[ . 1 . 2]" 2
115 1 33 ARG H 1 34 ILE H . . 3.840 2.656 2.375 2.696 . 0 0 "[ . 1 . 2]" 2
116 1 33 ARG H 1 33 ARG QD . . 3.750 2.479 2.360 2.545 . 0 0 "[ . 1 . 2]" 2
117 1 33 ARG H 1 33 ARG HG2 . . 3.260 1.919 1.883 2.158 . 0 0 "[ . 1 . 2]" 2
118 1 33 ARG H 1 33 ARG HG3 . . 3.620 3.475 3.444 3.662 0.042 19 0 "[ . 1 . 2]" 2
119 1 30 ARG H 1 31 HIS H . . 3.890 2.906 2.819 2.976 . 0 0 "[ . 1 . 2]" 2
120 1 30 ARG H 1 31 HIS HB3 . . 5.110 4.933 4.806 5.069 . 0 0 "[ . 1 . 2]" 2
121 1 30 ARG H 1 30 ARG QB . . 3.230 2.216 2.124 2.300 . 0 0 "[ . 1 . 2]" 2
122 1 30 ARG H 1 30 ARG HG3 . . 4.770 4.178 2.831 4.487 . 0 0 "[ . 1 . 2]" 2
123 1 29 ALA MB 1 30 ARG H . . 3.450 2.127 2.007 2.276 . 0 0 "[ . 1 . 2]" 2
124 1 22 PHE HB3 1 24 GLN H . . 4.210 3.105 2.641 3.641 . 0 0 "[ . 1 . 2]" 2
125 1 34 ILE H 1 35 HIS H . . 3.720 2.325 2.062 2.491 . 0 0 "[ . 1 . 2]" 2
126 1 31 HIS HA 1 34 ILE H . . 4.340 3.980 3.468 4.109 . 0 0 "[ . 1 . 2]" 2
127 1 22 PHE HB2 1 24 GLN H . . 4.210 3.608 3.008 4.033 . 0 0 "[ . 1 . 2]" 2
128 1 24 GLN H 1 27 LYS QB . . 4.120 2.536 2.264 2.881 . 0 0 "[ . 1 . 2]" 2
129 1 34 ILE H 1 34 ILE HB . . 3.770 3.654 3.591 3.742 . 0 0 "[ . 1 . 2]" 2
130 1 34 ILE H 1 34 ILE HG12 . . 4.510 3.780 3.314 3.987 . 0 0 "[ . 1 . 2]" 2
131 1 34 ILE H 1 34 ILE MD . . 3.730 2.033 1.778 3.873 0.143 19 0 "[ . 1 . 2]" 2
132 1 13 TYR H 1 22 PHE H . . 5.260 4.896 4.551 5.262 0.002 8 0 "[ . 1 . 2]" 2
133 1 22 PHE H 1 22 PHE QD . . 3.840 2.229 1.954 2.522 . 0 0 "[ . 1 . 2]" 2
134 1 22 PHE H 1 22 PHE QE . . 4.530 4.295 4.046 4.528 . 0 0 "[ . 1 . 2]" 2
135 1 14 LYS HA 1 22 PHE H . . 4.420 3.011 2.887 3.158 . 0 0 "[ . 1 . 2]" 2
136 1 14 LYS QB 1 22 PHE H . . 4.200 3.757 3.113 3.988 . 0 0 "[ . 1 . 2]" 2
137 1 20 LYS HD2 1 22 PHE H . . 4.200 4.063 3.899 4.211 0.011 11 0 "[ . 1 . 2]" 2
138 1 21 ALA MB 1 22 PHE H . . 3.460 3.170 3.023 3.275 . 0 0 "[ . 1 . 2]" 2
139 1 22 PHE H 1 28 LEU MD1 . . 4.610 4.577 4.494 4.616 0.006 13 0 "[ . 1 . 2]" 2
140 1 32 GLN H 1 33 ARG H . . 3.940 2.794 2.680 2.840 . 0 0 "[ . 1 . 2]" 2
141 1 29 ALA HA 1 32 GLN H . . 3.820 3.123 2.945 3.197 . 0 0 "[ . 1 . 2]" 2
142 1 28 LEU HA 1 32 GLN H . . 4.580 4.208 4.130 4.344 . 0 0 "[ . 1 . 2]" 2
143 1 31 HIS HB3 1 32 GLN H . . 4.060 2.641 2.560 2.882 . 0 0 "[ . 1 . 2]" 2
144 1 32 GLN H 1 32 GLN HB3 . . 3.820 3.595 3.587 3.603 . 0 0 "[ . 1 . 2]" 2
145 1 31 HIS H 1 32 GLN H . . 3.900 2.412 2.308 2.486 . 0 0 "[ . 1 . 2]" 2
146 1 17 GLU H 1 18 CYS H . . 3.580 2.782 2.129 2.990 . 0 0 "[ . 1 . 2]" 2
147 1 18 CYS H 1 19 GLY H . . 3.480 2.262 1.777 2.374 . 0 0 "[ . 1 . 2]" 2
148 1 15 CYS HA 1 18 CYS H . . 5.340 4.755 4.457 4.927 . 0 0 "[ . 1 . 2]" 2
149 1 16 ASN HA 1 18 CYS H . . 5.500 4.965 4.134 5.222 . 0 0 "[ . 1 . 2]" 2
150 1 18 CYS H 1 19 GLY HA2 . . 4.530 4.446 4.026 4.546 0.016 14 0 "[ . 1 . 2]" 2
151 1 15 CYS HB3 1 18 CYS H . . 3.760 2.874 2.686 3.162 . 0 0 "[ . 1 . 2]" 2
152 1 18 CYS H 1 18 CYS HB3 . . 3.530 2.891 2.781 3.174 . 0 0 "[ . 1 . 2]" 2
153 1 17 GLU QB 1 18 CYS H . . 3.460 2.150 1.989 2.774 . 0 0 "[ . 1 . 2]" 2
154 1 13 TYR H 1 13 TYR QE . . 4.540 4.202 4.135 4.358 . 0 0 "[ . 1 . 2]" 2
155 1 32 GLN H 1 32 GLN HB2 . . 3.590 2.533 2.473 2.614 . 0 0 "[ . 1 . 2]" 2
156 1 32 GLN H 1 32 GLN QG . . 3.520 2.140 2.069 2.211 . 0 0 "[ . 1 . 2]" 2
157 1 28 LEU H 1 28 LEU MD1 . . 4.500 4.260 4.228 4.310 . 0 0 "[ . 1 . 2]" 2
158 1 30 ARG HA 1 33 ARG H . . 4.400 4.152 4.111 4.196 . 0 0 "[ . 1 . 2]" 2
159 1 33 ARG HA 1 35 HIS H . . 4.450 3.708 3.544 4.109 . 0 0 "[ . 1 . 2]" 2
160 1 29 ALA MB 1 31 HIS H . . 4.180 4.069 4.025 4.186 0.006 19 0 "[ . 1 . 2]" 2
161 1 32 GLN QG 1 33 ARG H . . 4.580 4.252 4.112 4.305 . 0 0 "[ . 1 . 2]" 2
162 1 32 GLN HB2 1 33 ARG H . . 4.170 3.152 3.077 3.207 . 0 0 "[ . 1 . 2]" 2
163 1 28 LEU MD1 1 32 GLN HE22 . . 4.140 4.004 3.864 4.141 0.001 17 0 "[ . 1 . 2]" 2
164 1 28 LEU MD1 1 31 HIS HD2 . . 3.600 3.204 3.014 3.389 . 0 0 "[ . 1 . 2]" 2
165 1 15 CYS HA 1 28 LEU MD1 . . 3.880 2.320 1.970 2.608 . 0 0 "[ . 1 . 2]" 2
166 1 28 LEU MD1 1 29 ALA HA . . 4.320 4.147 3.961 4.244 . 0 0 "[ . 1 . 2]" 2
167 1 28 LEU HA 1 28 LEU MD1 . . 3.500 2.508 2.369 2.635 . 0 0 "[ . 1 . 2]" 2
168 1 28 LEU MD1 1 32 GLN QG . . 3.340 2.041 1.880 2.150 . 0 0 "[ . 1 . 2]" 2
169 1 14 LYS QB 1 28 LEU MD1 . . 4.700 4.475 3.963 4.674 . 0 0 "[ . 1 . 2]" 2
170 1 28 LEU HB2 1 28 LEU MD1 . . 3.470 2.149 2.097 2.241 . 0 0 "[ . 1 . 2]" 2
171 1 21 ALA MB 1 22 PHE QD . . 4.780 4.530 4.292 4.675 . 0 0 "[ . 1 . 2]" 2
172 1 21 ALA MB 1 22 PHE QE . . 5.470 5.357 5.189 5.447 . 0 0 "[ . 1 . 2]" 2
173 1 14 LYS HA 1 21 ALA MB . . 4.440 4.145 3.902 4.432 . 0 0 "[ . 1 . 2]" 2
174 1 33 ARG HA 1 36 THR MG . . 3.870 2.517 2.131 2.951 . 0 0 "[ . 1 . 2]" 2
175 1 34 ILE HA 1 36 THR MG . . 3.880 3.717 2.911 3.893 0.013 15 0 "[ . 1 . 2]" 2
176 1 7 GLY HA2 1 8 THR MG . . 4.420 3.799 3.288 4.409 . 0 0 "[ . 1 . 2]" 2
177 1 33 ARG QD 1 36 THR MG . . 4.430 3.824 3.479 4.451 0.021 17 0 "[ . 1 . 2]" 2
178 1 36 THR MG 1 38 GLU HG2 . . 4.300 3.247 1.961 4.317 0.017 10 0 "[ . 1 . 2]" 2
179 1 34 ILE MD 1 36 THR MG . . 4.620 4.611 4.402 4.682 0.062 11 0 "[ . 1 . 2]" 2
180 1 13 TYR QE 1 25 THR MG . . 3.740 3.304 2.554 3.745 0.005 13 0 "[ . 1 . 2]" 2
181 1 25 THR MG 1 26 SER HA . . 4.350 3.830 3.581 4.038 . 0 0 "[ . 1 . 2]" 2
182 1 25 THR HA 1 25 THR MG . . 3.570 2.266 2.185 2.390 . 0 0 "[ . 1 . 2]" 2
183 1 25 THR MG 1 28 LEU HB3 . . 3.960 3.208 2.860 3.502 . 0 0 "[ . 1 . 2]" 2
184 1 25 THR MG 1 29 ALA MB . . 3.910 3.374 2.987 3.717 . 0 0 "[ . 1 . 2]" 2
185 1 25 THR MG 1 28 LEU HB2 . . 4.800 4.578 4.228 4.778 . 0 0 "[ . 1 . 2]" 2
186 1 25 THR MG 1 28 LEU MD2 . . 3.710 2.698 2.264 2.946 . 0 0 "[ . 1 . 2]" 2
187 1 15 CYS HB3 1 19 GLY HA3 . . 5.430 4.718 4.518 5.323 . 0 0 "[ . 1 . 2]" 2
188 1 14 LYS QE 1 19 GLY HA2 . . 4.090 1.970 1.886 2.390 . 0 0 "[ . 1 . 2]" 2
189 1 14 LYS QD 1 19 GLY HA3 . . 4.890 3.884 3.627 4.168 . 0 0 "[ . 1 . 2]" 2
190 1 14 LYS QD 1 19 GLY HA2 . . 4.210 2.366 2.150 2.657 . 0 0 "[ . 1 . 2]" 2
191 1 14 LYS QG 1 19 GLY HA2 . . 4.480 4.177 3.187 4.326 . 0 0 "[ . 1 . 2]" 2
192 1 7 GLY HA3 1 8 THR MG . . 4.420 4.058 3.566 4.410 . 0 0 "[ . 1 . 2]" 2
193 1 9 GLY HA3 1 10 GLU HB2 . . 5.420 5.131 4.812 5.421 0.001 5 0 "[ . 1 . 2]" 2
194 1 33 ARG QD 1 34 ILE MG . . 5.140 4.980 4.775 5.039 . 0 0 "[ . 1 . 2]" 2
195 1 33 ARG QD 1 34 ILE H . . 4.530 4.383 4.155 4.453 . 0 0 "[ . 1 . 2]" 2
196 1 30 ARG QD 1 31 HIS H . . 5.340 4.942 4.056 5.353 0.013 4 0 "[ . 1 . 2]" 2
197 1 31 HIS H 1 33 ARG QD . . 5.500 4.491 4.301 5.067 . 0 0 "[ . 1 . 2]" 2
198 1 30 ARG H 1 30 ARG QD . . 4.820 4.408 3.547 4.739 . 0 0 "[ . 1 . 2]" 2
199 1 30 ARG H 1 33 ARG QD . . 5.250 4.256 3.954 5.262 0.012 19 0 "[ . 1 . 2]" 2
200 1 33 ARG HA 1 33 ARG QD . . 3.580 2.063 1.981 2.309 . 0 0 "[ . 1 . 2]" 2
201 1 32 GLN HB3 1 33 ARG QD . . 4.220 4.015 2.951 4.205 . 0 0 "[ . 1 . 2]" 2
202 1 30 ARG QB 1 30 ARG QD . . 2.990 2.182 2.043 2.523 . 0 0 "[ . 1 . 2]" 2
203 1 29 ALA MB 1 32 GLN HE21 . . 3.990 3.071 2.857 3.155 . 0 0 "[ . 1 . 2]" 2
204 1 29 ALA MB 1 30 ARG HA . . 3.700 3.600 3.553 3.639 . 0 0 "[ . 1 . 2]" 2
205 1 25 THR HA 1 29 ALA MB . . 5.190 4.935 4.657 5.121 . 0 0 "[ . 1 . 2]" 2
206 1 29 ALA MB 1 32 GLN QG . . 4.380 4.303 3.606 4.391 0.011 4 0 "[ . 1 . 2]" 2
207 1 29 ALA MB 1 32 GLN HB2 . . 4.080 3.759 3.552 3.823 . 0 0 "[ . 1 . 2]" 2
208 1 28 LEU HB3 1 29 ALA MB . . 4.370 3.988 3.907 4.055 . 0 0 "[ . 1 . 2]" 2
209 1 28 LEU MD2 1 29 ALA MB . . 4.090 3.893 3.708 4.057 . 0 0 "[ . 1 . 2]" 2
210 1 27 LYS HA 1 27 LYS QE . . 4.500 3.668 1.990 4.436 . 0 0 "[ . 1 . 2]" 2
211 1 20 LYS HA 1 20 LYS HE3 . . 5.500 5.200 4.637 5.394 . 0 0 "[ . 1 . 2]" 2
212 1 20 LYS HA 1 20 LYS HE2 . . 5.500 5.014 4.654 5.242 . 0 0 "[ . 1 . 2]" 2
213 1 27 LYS QE 1 27 LYS HG3 . . 3.660 2.429 2.113 3.263 . 0 0 "[ . 1 . 2]" 2
214 1 27 LYS QE 1 27 LYS HG2 . . 3.660 2.878 2.174 3.488 . 0 0 "[ . 1 . 2]" 2
215 1 25 THR HB 1 28 LEU MD2 . . 5.240 5.087 4.776 5.241 0.001 8 0 "[ . 1 . 2]" 2
216 1 14 LYS QE 1 21 ALA HA . . 4.900 4.616 3.084 4.898 . 0 0 "[ . 1 . 2]" 2
217 1 14 LYS QE 1 16 ASN HA . . 4.390 3.902 3.227 4.489 0.099 13 0 "[ . 1 . 2]" 2
218 1 14 LYS QE 1 19 GLY HA3 . . 3.740 2.787 2.629 3.515 . 0 0 "[ . 1 . 2]" 2
219 1 10 GLU HB2 1 13 TYR QE . . 5.490 4.781 4.580 5.097 . 0 0 "[ . 1 . 2]" 2
220 1 12 PRO HG3 1 13 TYR QE . . 3.770 3.509 3.227 3.740 . 0 0 "[ . 1 . 2]" 2
221 1 14 LYS QE 1 14 LYS QG . . 2.840 2.370 2.026 2.663 . 0 0 "[ . 1 . 2]" 2
222 1 34 ILE H 1 34 ILE MG . . 3.480 2.051 1.939 2.291 . 0 0 "[ . 1 . 2]" 2
223 1 31 HIS HA 1 34 ILE MG . . 3.940 2.738 1.765 2.874 . 0 0 "[ . 1 . 2]" 2
224 1 34 ILE HA 1 34 ILE MG . . 3.260 2.608 2.519 2.662 . 0 0 "[ . 1 . 2]" 2
225 1 34 ILE MG 1 36 THR MG . . 4.970 4.792 4.368 4.942 . 0 0 "[ . 1 . 2]" 2
226 1 34 ILE MD 1 34 ILE MG . . 2.950 2.164 1.993 3.061 0.111 19 0 "[ . 1 . 2]" 2
227 1 31 HIS HE1 1 34 ILE MD . . 3.610 3.205 2.896 3.434 . 0 0 "[ . 1 . 2]" 2
228 1 25 THR HA 1 28 LEU H . . 4.470 3.413 3.154 3.616 . 0 0 "[ . 1 . 2]" 2
229 1 13 TYR QD 1 25 THR HA . . 4.490 3.523 3.055 3.973 . 0 0 "[ . 1 . 2]" 2
230 1 34 ILE HA 1 34 ILE MD . . 3.540 3.407 3.314 3.600 0.060 17 0 "[ . 1 . 2]" 2
231 1 25 THR HA 1 28 LEU HB3 . . 3.920 2.663 2.260 2.948 . 0 0 "[ . 1 . 2]" 2
232 1 34 ILE HB 1 34 ILE MD . . 3.280 3.124 2.244 3.227 . 0 0 "[ . 1 . 2]" 2
233 1 25 THR HA 1 28 LEU HB2 . . 4.120 3.756 3.393 4.026 . 0 0 "[ . 1 . 2]" 2
234 1 25 THR HA 1 28 LEU MD2 . . 3.900 3.098 2.772 3.326 . 0 0 "[ . 1 . 2]" 2
235 1 16 ASN QB 1 17 GLU HG3 . . 4.220 4.107 4.010 4.222 0.002 20 0 "[ . 1 . 2]" 2
236 1 14 LYS QD 1 16 ASN QB . . 5.240 4.100 3.659 4.867 . 0 0 "[ . 1 . 2]" 2
237 1 14 LYS QG 1 16 ASN QB . . 5.200 4.959 3.964 5.212 0.012 9 0 "[ . 1 . 2]" 2
238 1 12 PRO HA 1 13 TYR QD . . 5.290 4.838 4.684 5.035 . 0 0 "[ . 1 . 2]" 2
239 1 18 CYS HA 1 35 HIS HE1 . . 4.160 4.145 4.067 4.168 0.008 9 0 "[ . 1 . 2]" 2
240 1 18 CYS HB2 1 35 HIS HE1 . . 4.300 4.165 3.832 4.302 0.002 11 0 "[ . 1 . 2]" 2
241 1 11 LYS QE 1 12 PRO HA . . 4.440 4.190 3.556 4.516 0.076 18 0 "[ . 1 . 2]" 2
242 1 18 CYS HB3 1 35 HIS HE1 . . 3.620 2.443 2.132 2.572 . 0 0 "[ . 1 . 2]" 2
243 1 17 GLU HA 1 35 HIS HE1 . . 5.500 5.400 5.217 5.503 0.003 19 0 "[ . 1 . 2]" 2
244 1 31 HIS HA 1 31 HIS HE1 . . 5.500 5.487 5.426 5.509 0.009 11 0 "[ . 1 . 2]" 2
245 1 13 TYR HB2 1 28 LEU HB2 . . 4.360 4.052 3.615 4.361 0.001 13 0 "[ . 1 . 2]" 2
246 1 13 TYR HB3 1 28 LEU HB2 . . 4.360 3.515 3.278 3.861 . 0 0 "[ . 1 . 2]" 2
247 1 20 LYS HB2 1 31 HIS HE1 . . 3.920 3.758 3.403 3.921 0.001 8 0 "[ . 1 . 2]" 2
248 1 20 LYS HB3 1 31 HIS HE1 . . 4.770 4.501 4.220 4.771 0.001 17 0 "[ . 1 . 2]" 2
249 1 31 HIS HE1 1 34 ILE MG . . 4.700 4.382 4.154 4.810 0.110 19 0 "[ . 1 . 2]" 2
250 1 8 THR HA 1 8 THR MG . . 3.320 2.706 2.221 3.207 . 0 0 "[ . 1 . 2]" 2
251 1 38 GLU HA 1 38 GLU HG2 . . 4.030 3.060 2.310 3.884 . 0 0 "[ . 1 . 2]" 2
252 1 38 GLU HA 1 38 GLU HG3 . . 4.030 3.239 2.299 3.786 . 0 0 "[ . 1 . 2]" 2
253 1 36 THR MG 1 38 GLU HG3 . . 4.300 3.343 2.191 4.353 0.053 7 0 "[ . 1 . 2]" 2
254 1 29 ALA HA 1 32 GLN QG . . 3.920 2.879 1.989 2.996 . 0 0 "[ . 1 . 2]" 2
255 1 28 LEU HA 1 32 GLN QG . . 4.060 3.888 3.738 4.034 . 0 0 "[ . 1 . 2]" 2
256 1 28 LEU HB3 1 32 GLN QG . . 4.720 4.670 4.219 4.731 0.011 7 0 "[ . 1 . 2]" 2
257 1 28 LEU HB2 1 32 GLN QG . . 4.920 4.627 4.351 4.709 . 0 0 "[ . 1 . 2]" 2
258 1 12 PRO HA 1 14 LYS QB . . 5.310 4.338 4.111 4.616 . 0 0 "[ . 1 . 2]" 2
259 1 14 LYS QB 1 19 GLY HA3 . . 5.500 4.957 4.685 5.498 . 0 0 "[ . 1 . 2]" 2
260 1 25 THR HB 1 26 SER HA . . 4.170 4.048 3.960 4.152 . 0 0 "[ . 1 . 2]" 2
261 1 14 LYS QB 1 14 LYS QE . . 3.750 2.432 1.815 3.335 . 0 0 "[ . 1 . 2]" 2
262 1 26 SER HA 1 30 ARG QB . . 4.820 4.755 4.572 4.834 0.014 3 0 "[ . 1 . 2]" 2
263 1 26 SER HA 1 29 ALA MB . . 3.640 3.108 2.830 3.433 . 0 0 "[ . 1 . 2]" 2
264 1 31 HIS HD2 1 32 GLN HA . . 4.330 2.540 2.283 2.691 . 0 0 "[ . 1 . 2]" 2
265 1 32 GLN HA 1 35 HIS HD2 . . 3.850 2.205 1.995 2.526 . 0 0 "[ . 1 . 2]" 2
266 1 32 GLN HA 1 32 GLN QG . . 3.570 2.390 2.372 2.439 . 0 0 "[ . 1 . 2]" 2
267 1 20 LYS HB2 1 21 ALA H . . 4.480 4.389 4.310 4.460 . 0 0 "[ . 1 . 2]" 2
268 1 20 LYS HB3 1 21 ALA H . . 4.500 4.032 3.931 4.154 . 0 0 "[ . 1 . 2]" 2
269 1 20 LYS HB2 1 22 PHE QE . . 4.500 3.879 3.671 4.194 . 0 0 "[ . 1 . 2]" 2
270 1 29 ALA HA 1 30 ARG HA . . 5.000 4.902 4.869 4.923 . 0 0 "[ . 1 . 2]" 2
271 1 30 ARG HA 1 30 ARG QD . . 4.310 3.630 2.251 4.229 . 0 0 "[ . 1 . 2]" 2
272 1 30 ARG HA 1 33 ARG QD . . 4.810 3.363 3.031 4.736 . 0 0 "[ . 1 . 2]" 2
273 1 30 ARG HA 1 33 ARG HG2 . . 3.860 2.546 2.450 2.966 . 0 0 "[ . 1 . 2]" 2
274 1 31 HIS HA 1 34 ILE MD . . 4.290 3.801 3.587 4.489 0.199 19 0 "[ . 1 . 2]" 2
275 1 30 ARG HA 1 30 ARG HG3 . . 4.060 2.811 2.292 3.609 . 0 0 "[ . 1 . 2]" 2
276 1 11 LYS HB2 1 12 PRO HA . . 5.070 4.919 4.883 4.953 . 0 0 "[ . 1 . 2]" 2
277 1 11 LYS HB3 1 11 LYS QE . . 4.380 4.089 3.429 4.533 0.153 18 0 "[ . 1 . 2]" 2
278 1 11 LYS HB2 1 11 LYS QE . . 4.350 3.396 1.986 4.143 . 0 0 "[ . 1 . 2]" 2
279 1 27 LYS HA 1 28 LEU HA . . 4.940 4.831 4.801 4.847 . 0 0 "[ . 1 . 2]" 2
280 1 17 GLU HA 1 17 GLU HG3 . . 3.770 3.364 3.291 3.482 . 0 0 "[ . 1 . 2]" 2
281 1 27 LYS HA 1 27 LYS HG3 . . 4.090 3.164 2.181 3.819 . 0 0 "[ . 1 . 2]" 2
282 1 27 LYS HA 1 27 LYS HG2 . . 4.090 3.127 2.715 3.631 . 0 0 "[ . 1 . 2]" 2
283 1 17 GLU QB 1 18 CYS HA . . 4.510 3.970 3.914 4.233 . 0 0 "[ . 1 . 2]" 2
284 1 33 ARG HA 1 34 ILE HA . . 4.750 4.641 4.549 4.710 . 0 0 "[ . 1 . 2]" 2
285 1 22 PHE HB3 1 27 LYS QB . . 4.600 2.024 1.785 2.732 . 0 0 "[ . 1 . 2]" 2
286 1 14 LYS QE 1 20 LYS HA . . 4.870 4.603 3.263 4.903 0.033 8 0 "[ . 1 . 2]" 2
287 1 22 PHE HB2 1 27 LYS QB . . 4.600 3.151 2.678 3.829 . 0 0 "[ . 1 . 2]" 2
288 1 33 ARG HA 1 33 ARG HG2 . . 3.740 3.458 3.429 3.610 . 0 0 "[ . 1 . 2]" 2
289 1 33 ARG HA 1 33 ARG HG3 . . 3.870 3.816 3.791 3.870 . 0 0 "[ . 1 . 2]" 2
290 1 18 CYS H 1 18 CYS HB2 . . 4.180 3.663 3.635 3.820 . 0 0 "[ . 1 . 2]" 2
291 1 22 PHE QE 1 27 LYS QB . . 4.370 4.032 3.802 4.284 . 0 0 "[ . 1 . 2]" 2
292 1 18 CYS HB2 1 19 GLY HA3 . . 5.000 4.725 4.611 4.953 . 0 0 "[ . 1 . 2]" 2
293 1 39 LYS HB2 1 39 LYS QE . . 4.620 3.613 2.152 4.190 . 0 0 "[ . 1 . 2]" 2
294 1 17 GLU QB 1 18 CYS HB2 . . 5.070 4.937 4.881 5.046 . 0 0 "[ . 1 . 2]" 2
295 1 22 PHE QE 1 28 LEU HA . . 4.480 3.026 2.849 3.214 . 0 0 "[ . 1 . 2]" 2
296 1 39 LYS HB3 1 39 LYS QE . . 4.620 3.445 2.012 4.452 . 0 0 "[ . 1 . 2]" 2
297 1 28 LEU HA 1 31 HIS HB3 . . 4.320 2.981 2.839 3.103 . 0 0 "[ . 1 . 2]" 2
298 1 10 GLU HA 1 10 GLU HG2 . . 4.210 3.014 2.565 3.792 . 0 0 "[ . 1 . 2]" 2
299 1 10 GLU HA 1 10 GLU HG3 . . 4.210 3.390 2.545 3.919 . 0 0 "[ . 1 . 2]" 2
300 1 10 GLU HA 1 11 LYS HB3 . . 5.500 5.060 5.007 5.154 . 0 0 "[ . 1 . 2]" 2
301 1 10 GLU HA 1 12 PRO HG3 . . 4.620 4.550 4.343 4.621 0.001 5 0 "[ . 1 . 2]" 2
302 1 12 PRO HD3 1 13 TYR QD . . 4.680 4.057 3.963 4.183 . 0 0 "[ . 1 . 2]" 2
303 1 10 GLU HB2 1 13 TYR QD . . 5.340 5.168 5.019 5.349 0.009 11 0 "[ . 1 . 2]" 2
304 1 13 TYR QD 1 28 LEU HB3 . . 5.030 4.779 4.332 5.042 0.012 11 0 "[ . 1 . 2]" 2
305 1 12 PRO HG2 1 13 TYR QD . . 4.060 2.252 2.109 2.466 . 0 0 "[ . 1 . 2]" 2
306 1 12 PRO HG3 1 13 TYR QD . . 4.000 3.822 3.705 3.985 . 0 0 "[ . 1 . 2]" 2
307 1 13 TYR QD 1 28 LEU MD2 . . 3.800 3.099 2.802 3.418 . 0 0 "[ . 1 . 2]" 2
308 1 13 TYR QD 1 25 THR MG . . 3.990 2.754 2.300 3.283 . 0 0 "[ . 1 . 2]" 2
309 1 22 PHE QD 1 28 LEU HA . . 4.280 2.999 2.862 3.264 . 0 0 "[ . 1 . 2]" 2
310 1 22 PHE QD 1 27 LYS QB . . 3.950 2.147 1.974 2.597 . 0 0 "[ . 1 . 2]" 2
311 1 22 PHE QD 1 28 LEU HB3 . . 4.360 4.236 4.041 4.360 0.000 10 0 "[ . 1 . 2]" 2
312 1 14 LYS QB 1 22 PHE QD . . 4.150 4.008 3.387 4.162 0.012 14 0 "[ . 1 . 2]" 2
313 1 20 LYS HD2 1 22 PHE QD . . 3.930 3.232 3.094 3.399 . 0 0 "[ . 1 . 2]" 2
314 1 22 PHE QD 1 28 LEU HB2 . . 3.680 2.646 2.408 2.890 . 0 0 "[ . 1 . 2]" 2
315 1 22 PHE QD 1 28 LEU MD1 . . 3.610 2.633 2.309 2.870 . 0 0 "[ . 1 . 2]" 2
316 1 9 GLY HA2 1 10 GLU HB2 . . 5.420 5.076 4.704 5.350 . 0 0 "[ . 1 . 2]" 2
317 1 10 GLU HB2 1 12 PRO HG3 . . 4.370 4.302 4.184 4.371 0.001 5 0 "[ . 1 . 2]" 2
318 1 10 GLU HB3 1 12 PRO HG3 . . 4.120 3.010 2.797 3.139 . 0 0 "[ . 1 . 2]" 2
319 1 33 ARG HB3 1 33 ARG QD . . 3.790 2.743 2.427 2.900 . 0 0 "[ . 1 . 2]" 2
320 1 29 ALA MB 1 30 ARG QB . . 3.920 3.744 3.663 3.934 0.014 13 0 "[ . 1 . 2]" 2
321 1 15 CYS HB3 1 31 HIS HD2 . . 4.760 4.392 4.035 4.638 . 0 0 "[ . 1 . 2]" 2
322 1 15 CYS HA 1 17 GLU QB . . 5.050 4.720 4.362 4.882 . 0 0 "[ . 1 . 2]" 2
323 1 15 CYS HB3 1 17 GLU QB . . 4.270 3.974 3.857 4.242 . 0 0 "[ . 1 . 2]" 2
324 1 29 ALA HA 1 33 ARG QD . . 4.420 3.500 3.382 3.602 . 0 0 "[ . 1 . 2]" 2
325 1 17 GLU QB 1 18 CYS HB3 . . 3.780 3.676 3.607 3.737 . 0 0 "[ . 1 . 2]" 2
326 1 29 ALA HA 1 32 GLN HB2 . . 3.940 2.367 2.192 2.458 . 0 0 "[ . 1 . 2]" 2
327 1 28 LEU HB3 1 29 ALA HA . . 5.190 4.562 4.525 4.608 . 0 0 "[ . 1 . 2]" 2
328 1 29 ALA HA 1 33 ARG HG2 . . 5.500 4.570 4.104 4.707 . 0 0 "[ . 1 . 2]" 2
329 1 15 CYS HB3 1 20 LYS HB2 . . 4.160 3.570 3.352 3.812 . 0 0 "[ . 1 . 2]" 2
330 1 15 CYS HB2 1 20 LYS HB2 . . 4.330 3.860 3.523 4.332 0.002 8 0 "[ . 1 . 2]" 2
331 1 15 CYS HB3 1 20 LYS HB3 . . 4.080 3.447 3.133 3.772 . 0 0 "[ . 1 . 2]" 2
332 1 15 CYS HB2 1 20 LYS HB3 . . 4.200 2.972 2.683 3.296 . 0 0 "[ . 1 . 2]" 2
333 1 15 CYS HB3 1 28 LEU MD1 . . 3.990 3.864 3.514 3.988 . 0 0 "[ . 1 . 2]" 2
334 1 15 CYS HB2 1 28 LEU MD1 . . 3.840 2.575 2.161 2.734 . 0 0 "[ . 1 . 2]" 2
335 1 14 LYS H 1 14 LYS QD . . 4.610 3.991 3.608 4.330 . 0 0 "[ . 1 . 2]" 2
336 1 20 LYS H 1 20 LYS HD3 . . 5.430 5.056 4.979 5.105 . 0 0 "[ . 1 . 2]" 2
337 1 20 LYS H 1 20 LYS HD2 . . 4.690 4.613 4.534 4.693 0.003 3 0 "[ . 1 . 2]" 2
338 1 20 LYS HA 1 20 LYS HD3 . . 4.330 2.892 2.722 3.096 . 0 0 "[ . 1 . 2]" 2
339 1 20 LYS HA 1 20 LYS HD2 . . 4.410 3.519 3.413 3.690 . 0 0 "[ . 1 . 2]" 2
340 1 39 LYS HA 1 39 LYS QD . . 3.970 3.374 1.992 4.077 0.107 16 0 "[ . 1 . 2]" 2
341 1 39 LYS QD 1 40 PRO HD3 . . 4.990 4.372 2.693 5.167 0.177 14 0 "[ . 1 . 2]" 2
342 1 39 LYS QD 1 40 PRO HD2 . . 4.310 3.309 2.127 4.415 0.105 20 0 "[ . 1 . 2]" 2
343 1 15 CYS HB3 1 22 PHE QE . . 4.590 3.444 3.077 3.816 . 0 0 "[ . 1 . 2]" 2
344 1 22 PHE QE 1 31 HIS HB2 . . 4.380 2.386 2.101 3.328 . 0 0 "[ . 1 . 2]" 2
345 1 15 CYS HB2 1 22 PHE QE . . 4.160 2.056 1.990 2.322 . 0 0 "[ . 1 . 2]" 2
346 1 22 PHE QE 1 31 HIS HB3 . . 4.700 2.583 2.250 3.484 . 0 0 "[ . 1 . 2]" 2
347 1 22 PHE QE 1 28 LEU HB3 . . 5.110 5.048 4.931 5.119 0.009 14 0 "[ . 1 . 2]" 2
348 1 14 LYS QB 1 22 PHE QE . . 4.500 4.286 3.786 4.502 0.002 15 0 "[ . 1 . 2]" 2
349 1 20 LYS HD2 1 22 PHE QE . . 4.050 2.967 2.783 3.235 . 0 0 "[ . 1 . 2]" 2
350 1 20 LYS HB3 1 22 PHE QE . . 3.880 2.385 2.090 2.717 . 0 0 "[ . 1 . 2]" 2
351 1 28 LEU MD1 1 31 HIS HB3 . . 4.380 3.865 3.634 4.049 . 0 0 "[ . 1 . 2]" 2
352 1 32 GLN HB3 1 33 ARG H . . 4.510 4.009 3.983 4.148 . 0 0 "[ . 1 . 2]" 2
353 1 29 ALA HA 1 32 GLN HB3 . . 4.160 3.987 3.710 4.070 . 0 0 "[ . 1 . 2]" 2
354 1 11 LYS HA 1 11 LYS QE . . 5.140 4.647 4.087 5.234 0.094 18 0 "[ . 1 . 2]" 2
355 1 32 GLN HB3 1 33 ARG HG2 . . 5.500 5.483 5.039 5.555 0.055 15 0 "[ . 1 . 2]" 2
356 1 32 GLN HB2 1 33 ARG HG2 . . 4.380 4.239 3.643 4.350 . 0 0 "[ . 1 . 2]" 2
357 1 29 ALA MB 1 32 GLN HB3 . . 5.160 5.102 4.878 5.166 0.006 14 0 "[ . 1 . 2]" 2
358 1 28 LEU MD1 1 32 GLN HB2 . . 4.400 4.269 4.156 4.349 . 0 0 "[ . 1 . 2]" 2
359 1 28 LEU MD1 1 32 GLN HB3 . . 4.620 4.521 4.210 4.624 0.004 15 0 "[ . 1 . 2]" 2
360 1 30 ARG HA 1 30 ARG HG2 . . 4.060 2.929 2.160 3.821 . 0 0 "[ . 1 . 2]" 2
361 1 28 LEU HG 1 32 GLN QG . . 4.490 2.458 1.993 2.576 . 0 0 "[ . 1 . 2]" 2
362 1 42 GLY QA 1 43 PRO QG . . 3.710 3.673 3.642 3.765 0.055 1 0 "[ . 1 . 2]" 2
363 1 20 LYS HB3 1 22 PHE HZ . . 4.390 2.286 2.095 2.579 . 0 0 "[ . 1 . 2]" 2
364 1 22 PHE HZ 1 28 LEU HA . . 5.050 3.439 3.216 3.636 . 0 0 "[ . 1 . 2]" 2
365 1 22 PHE HZ 1 31 HIS HB2 . . 5.390 3.353 3.061 3.590 . 0 0 "[ . 1 . 2]" 2
366 1 22 PHE HZ 1 31 HIS HB3 . . 4.240 2.763 2.469 3.132 . 0 0 "[ . 1 . 2]" 2
367 1 20 LYS HB2 1 22 PHE HZ . . 4.580 3.521 3.266 3.943 . 0 0 "[ . 1 . 2]" 2
368 1 20 LYS HD2 1 22 PHE HZ . . 5.260 3.209 2.974 3.538 . 0 0 "[ . 1 . 2]" 2
369 1 22 PHE HZ 1 28 LEU MD1 . . 4.710 3.373 3.173 3.589 . 0 0 "[ . 1 . 2]" 2
370 1 34 ILE H 1 34 ILE HG13 . . 4.510 3.755 2.265 3.954 . 0 0 "[ . 1 . 2]" 2
371 1 22 PHE QD 1 28 LEU MD2 . . 4.320 4.139 3.860 4.289 . 0 0 "[ . 1 . 2]" 2
372 1 11 LYS HA 1 12 PRO HG2 . . 4.780 4.506 4.468 4.577 . 0 0 "[ . 1 . 2]" 2
373 1 28 LEU MD2 1 29 ALA HA . . 4.210 4.088 3.987 4.198 . 0 0 "[ . 1 . 2]" 2
374 1 28 LEU HA 1 28 LEU MD2 . . 4.230 4.018 4.005 4.030 . 0 0 "[ . 1 . 2]" 2
375 1 13 TYR HB2 1 28 LEU MD2 . . 3.790 3.653 3.345 3.792 0.002 10 0 "[ . 1 . 2]" 2
376 1 13 TYR HB3 1 28 LEU MD2 . . 3.790 2.272 2.090 2.493 . 0 0 "[ . 1 . 2]" 2
377 1 28 LEU HB3 1 28 LEU MD2 . . 3.600 2.174 2.051 2.274 . 0 0 "[ . 1 . 2]" 2
378 1 28 LEU HB2 1 28 LEU MD2 . . 3.500 2.510 2.434 2.606 . 0 0 "[ . 1 . 2]" 2
379 1 32 GLN QG 1 35 HIS HD2 . . 4.140 2.942 2.662 4.170 0.030 19 0 "[ . 1 . 2]" 2
380 1 17 GLU QB 1 35 HIS HD2 . . 4.160 3.139 2.745 3.723 . 0 0 "[ . 1 . 2]" 2
381 1 31 HIS HD2 1 35 HIS HD2 . . 4.350 3.277 2.989 3.508 . 0 0 "[ . 1 . 2]" 2
382 1 31 HIS HD2 1 32 GLN HB3 . . 4.610 4.421 4.314 4.695 0.085 19 0 "[ . 1 . 2]" 2
383 1 20 LYS HB3 1 31 HIS HD2 . . 5.020 4.583 4.322 4.994 . 0 0 "[ . 1 . 2]" 2
384 1 39 LYS HA 1 40 PRO HD3 . . 3.110 2.328 2.280 2.422 . 0 0 "[ . 1 . 2]" 2
385 1 39 LYS HA 1 40 PRO HD2 . . 3.180 2.454 2.340 2.635 . 0 0 "[ . 1 . 2]" 2
386 1 31 HIS HD2 1 32 GLN QG . . 3.820 2.510 2.359 2.911 . 0 0 "[ . 1 . 2]" 2
387 1 39 LYS HB2 1 40 PRO HD2 . . 3.830 3.063 1.937 3.782 . 0 0 "[ . 1 . 2]" 2
388 1 39 LYS HB3 1 40 PRO HD2 . . 3.830 2.358 1.990 3.520 . 0 0 "[ . 1 . 2]" 2
389 1 39 LYS QG 1 40 PRO HD3 . . 4.870 4.260 3.343 4.937 0.067 17 0 "[ . 1 . 2]" 2
390 1 39 LYS QG 1 40 PRO HD2 . . 3.970 3.420 2.453 4.009 0.039 17 0 "[ . 1 . 2]" 2
391 1 14 LYS QG 1 21 ALA HA . . 4.710 4.415 3.681 4.666 . 0 0 "[ . 1 . 2]" 2
392 1 14 LYS QG 1 19 GLY HA3 . . 5.500 5.454 4.805 5.533 0.033 20 0 "[ . 1 . 2]" 2
393 1 14 LYS QB 1 21 ALA HA . . 4.490 2.425 1.837 2.665 . 0 0 "[ . 1 . 2]" 2
394 1 12 PRO HD2 1 13 TYR QD . . 4.680 2.461 2.382 2.637 . 0 0 "[ . 1 . 2]" 2
395 1 11 LYS HA 1 12 PRO HD2 . . 3.990 2.483 2.435 2.573 . 0 0 "[ . 1 . 2]" 2
396 1 11 LYS HA 1 12 PRO HD3 . . 3.990 3.371 3.325 3.453 . 0 0 "[ . 1 . 2]" 2
397 1 10 GLU HB2 1 12 PRO HD3 . . 4.230 3.530 3.410 3.699 . 0 0 "[ . 1 . 2]" 2
398 1 10 GLU HB2 1 12 PRO HD2 . . 4.230 3.433 3.308 3.547 . 0 0 "[ . 1 . 2]" 2
399 1 42 GLY QA 1 43 PRO QD . . 2.710 1.923 1.843 2.028 . 0 0 "[ . 1 . 2]" 2
400 1 36 THR HA 1 36 THR MG . . 3.360 3.188 3.154 3.205 . 0 0 "[ . 1 . 2]" 2
401 1 16 ASN QB 1 17 GLU HG2 . . 4.220 4.108 3.889 4.216 . 0 0 "[ . 1 . 2]" 2
402 1 16 ASN QB 1 17 GLU HA . . 4.300 3.999 3.854 4.214 . 0 0 "[ . 1 . 2]" 2
403 1 30 ARG H 1 30 ARG HG2 . . 4.770 4.269 2.749 4.638 . 0 0 "[ . 1 . 2]" 2
404 1 33 ARG HB2 1 33 ARG QD . . 3.790 3.356 3.282 3.394 . 0 0 "[ . 1 . 2]" 2
405 1 27 LYS QB 1 27 LYS QE . . 3.730 3.128 1.993 3.735 0.005 17 0 "[ . 1 . 2]" 2
406 1 14 LYS QE 1 21 ALA MB . . 4.310 4.158 2.858 4.325 0.015 9 0 "[ . 1 . 2]" 2
407 1 20 LYS HA 1 21 ALA MB . . 4.230 3.968 3.884 4.010 . 0 0 "[ . 1 . 2]" 2
408 1 12 PRO HG2 1 13 TYR QE . . 4.020 2.511 2.263 2.762 . 0 0 "[ . 1 . 2]" 2
409 1 20 LYS HD2 1 21 ALA MB . . 5.120 4.371 4.186 4.569 . 0 0 "[ . 1 . 2]" 2
410 1 17 GLU HA 1 17 GLU HG2 . . 3.770 2.364 2.260 2.540 . 0 0 "[ . 1 . 2]" 2
411 1 15 CYS HB2 1 31 HIS HD2 . . 3.850 3.291 3.079 3.647 . 0 0 "[ . 1 . 2]" 2
412 1 22 PHE QE 1 28 LEU MD1 . . 3.570 2.107 1.985 2.299 . 0 0 "[ . 1 . 2]" 2
413 1 29 ALA MB 1 33 ARG QD . . 3.690 3.126 2.928 3.674 . 0 0 "[ . 1 . 2]" 2
414 1 29 ALA HA 1 33 ARG H . . 5.020 4.346 4.283 4.445 . 0 0 "[ . 1 . 2]" 2
415 1 32 GLN H 1 33 ARG QD . . 4.680 4.063 3.598 4.206 . 0 0 "[ . 1 . 2]" 2
416 1 31 HIS HB2 1 32 GLN H . . 4.650 3.966 3.917 4.132 . 0 0 "[ . 1 . 2]" 2
417 1 32 GLN HA 1 32 GLN HE21 . . 4.800 4.624 4.593 4.804 0.004 19 0 "[ . 1 . 2]" 2
418 1 7 GLY QA 1 8 THR MG . . 3.640 3.444 3.105 3.638 . 0 0 "[ . 1 . 2]" 2
419 1 9 GLY QA 1 10 GLU QG . . 4.000 3.402 3.003 3.973 . 0 0 "[ . 1 . 2]" 2
420 1 10 GLU H 1 10 GLU QG . . 4.180 2.254 1.889 3.128 . 0 0 "[ . 1 . 2]" 2
421 1 10 GLU HA 1 10 GLU QG . . 3.530 2.724 2.477 3.204 . 0 0 "[ . 1 . 2]" 2
422 1 10 GLU HA 1 11 LYS QG . . 4.480 3.488 3.356 3.754 . 0 0 "[ . 1 . 2]" 2
423 1 10 GLU HA 1 11 LYS QD . . 5.340 4.400 3.520 4.899 . 0 0 "[ . 1 . 2]" 2
424 1 10 GLU HB2 1 12 PRO QD . . 3.710 3.099 2.990 3.164 . 0 0 "[ . 1 . 2]" 2
425 1 11 LYS HB2 1 11 LYS QD . . 3.450 2.467 2.243 2.862 . 0 0 "[ . 1 . 2]" 2
426 1 11 LYS HB3 1 12 PRO QD . . 5.240 4.278 4.271 4.286 . 0 0 "[ . 1 . 2]" 2
427 1 11 LYS QD 1 12 PRO QD . . 4.230 3.711 3.104 4.086 . 0 0 "[ . 1 . 2]" 2
428 1 11 LYS QD 1 13 TYR H . . 5.030 4.819 4.703 4.959 . 0 0 "[ . 1 . 2]" 2
429 1 11 LYS QD 1 21 ALA MB . . 4.810 3.142 2.160 4.283 . 0 0 "[ . 1 . 2]" 2
430 1 11 LYS QE 1 12 PRO QB . . 5.050 5.027 4.936 5.108 0.058 6 0 "[ . 1 . 2]" 2
431 1 11 LYS QE 1 12 PRO QD . . 5.350 4.305 4.083 4.756 . 0 0 "[ . 1 . 2]" 2
432 1 12 PRO QB 1 13 TYR H . . 3.760 3.480 3.272 3.546 . 0 0 "[ . 1 . 2]" 2
433 1 12 PRO QB 1 13 TYR QD . . 4.430 3.874 3.724 4.081 . 0 0 "[ . 1 . 2]" 2
434 1 12 PRO QB 1 13 TYR QE . . 5.340 4.284 4.061 4.527 . 0 0 "[ . 1 . 2]" 2
435 1 12 PRO QD 1 13 TYR H . . 3.770 2.696 2.609 2.741 . 0 0 "[ . 1 . 2]" 2
436 1 12 PRO QD 1 13 TYR QD . . 3.930 2.441 2.365 2.610 . 0 0 "[ . 1 . 2]" 2
437 1 12 PRO QD 1 13 TYR QE . . 4.330 3.413 3.225 3.780 . 0 0 "[ . 1 . 2]" 2
438 1 13 TYR H 1 13 TYR QB . . 3.410 2.420 2.354 2.468 . 0 0 "[ . 1 . 2]" 2
439 1 13 TYR QB 1 14 LYS H . . 3.810 3.820 3.801 3.848 0.038 11 0 "[ . 1 . 2]" 2
440 1 13 TYR QB 1 14 LYS QB . . 5.260 5.027 4.852 5.139 . 0 0 "[ . 1 . 2]" 2
441 1 13 TYR QB 1 25 THR HA . . 4.660 2.912 2.505 3.195 . 0 0 "[ . 1 . 2]" 2
442 1 13 TYR QB 1 25 THR MG . . 4.850 3.589 3.152 3.930 . 0 0 "[ . 1 . 2]" 2
443 1 17 GLU QG 1 18 CYS H . . 4.210 3.896 3.665 4.100 . 0 0 "[ . 1 . 2]" 2
444 1 20 LYS H 1 20 LYS QG . . 4.380 4.077 4.001 4.160 . 0 0 "[ . 1 . 2]" 2
445 1 20 LYS HA 1 20 LYS QE . . 4.640 4.530 4.305 4.640 0.000 6 0 "[ . 1 . 2]" 2
446 1 20 LYS HB3 1 20 LYS QE . . 4.110 3.676 3.585 4.093 . 0 0 "[ . 1 . 2]" 2
447 1 20 LYS QE 1 20 LYS QG . . 3.230 2.159 2.042 2.484 . 0 0 "[ . 1 . 2]" 2
448 1 20 LYS QG 1 21 ALA H . . 4.420 3.335 3.161 3.556 . 0 0 "[ . 1 . 2]" 2
449 1 20 LYS QG 1 22 PHE QE . . 4.250 3.435 3.087 3.827 . 0 0 "[ . 1 . 2]" 2
450 1 20 LYS QG 1 22 PHE HZ . . 4.840 3.203 2.618 3.604 . 0 0 "[ . 1 . 2]" 2
451 1 20 LYS QE 1 21 ALA H . . 5.340 4.315 3.853 4.601 . 0 0 "[ . 1 . 2]" 2
452 1 20 LYS QE 1 22 PHE QD . . 4.110 2.930 2.459 3.631 . 0 0 "[ . 1 . 2]" 2
453 1 20 LYS QE 1 22 PHE QE . . 4.240 2.712 2.040 3.933 . 0 0 "[ . 1 . 2]" 2
454 1 22 PHE H 1 22 PHE QB . . 3.610 2.633 2.563 2.693 . 0 0 "[ . 1 . 2]" 2
455 1 22 PHE QB 1 27 LYS H . . 4.880 4.144 3.891 4.571 . 0 0 "[ . 1 . 2]" 2
456 1 22 PHE QB 1 27 LYS QB . . 4.030 2.000 1.760 2.676 . 0 0 "[ . 1 . 2]" 2
457 1 22 PHE QB 1 28 LEU H . . 3.900 2.922 2.707 3.332 . 0 0 "[ . 1 . 2]" 2
458 1 23 SER QB 1 24 GLN H . . 4.440 2.835 2.119 3.716 . 0 0 "[ . 1 . 2]" 2
459 1 24 GLN H 1 24 GLN QB . . 3.690 2.706 2.393 3.203 . 0 0 "[ . 1 . 2]" 2
460 1 24 GLN QB 1 27 LYS H . . 4.520 3.007 2.478 4.132 . 0 0 "[ . 1 . 2]" 2
461 1 24 GLN QG 1 27 LYS H . . 4.500 3.684 1.946 4.526 0.026 7 0 "[ . 1 . 2]" 2
462 1 26 SER QB 1 29 ALA MB . . 5.070 4.608 4.401 4.894 . 0 0 "[ . 1 . 2]" 2
463 1 27 LYS H 1 27 LYS QD . . 3.830 3.096 1.959 3.836 0.006 11 0 "[ . 1 . 2]" 2
464 1 27 LYS HA 1 27 LYS QD . . 3.650 2.461 1.997 3.463 . 0 0 "[ . 1 . 2]" 2
465 1 30 ARG H 1 30 ARG QG . . 4.140 3.734 2.663 4.061 . 0 0 "[ . 1 . 2]" 2
466 1 30 ARG HA 1 30 ARG QG . . 3.450 2.397 2.124 2.936 . 0 0 "[ . 1 . 2]" 2
467 1 31 HIS HA 1 34 ILE QG . . 5.030 4.810 2.871 5.074 0.044 11 0 "[ . 1 . 2]" 2
468 1 31 HIS HE1 1 34 ILE QG . . 4.400 3.660 3.315 3.918 . 0 0 "[ . 1 . 2]" 2
469 1 33 ARG QB 1 36 THR MG . . 3.720 3.413 3.146 3.721 0.001 5 0 "[ . 1 . 2]" 2
470 1 34 ILE H 1 34 ILE QG . . 3.710 3.330 2.230 3.507 . 0 0 "[ . 1 . 2]" 2
471 1 34 ILE QG 1 34 ILE MG . . 3.130 2.244 2.020 2.310 . 0 0 "[ . 1 . 2]" 2
472 1 34 ILE QG 1 35 HIS H . . 4.750 3.365 1.883 3.832 . 0 0 "[ . 1 . 2]" 2
473 1 35 HIS H 1 35 HIS QB . . 3.340 2.287 2.194 2.331 . 0 0 "[ . 1 . 2]" 2
474 1 35 HIS QB 1 36 THR H . . 4.300 3.112 2.594 3.755 . 0 0 "[ . 1 . 2]" 2
475 1 35 HIS QB 1 36 THR HA . . 4.510 4.054 3.844 4.436 . 0 0 "[ . 1 . 2]" 2
476 1 36 THR HA 1 37 GLY QA . . 4.680 4.150 3.890 4.346 . 0 0 "[ . 1 . 2]" 2
477 1 36 THR MG 1 37 GLY QA . . 4.210 3.711 3.241 4.209 . 0 0 "[ . 1 . 2]" 2
478 1 36 THR MG 1 38 GLU QG . . 3.660 2.733 1.947 3.663 0.003 1 0 "[ . 1 . 2]" 2
479 1 37 GLY QA 1 38 GLU QB . . 5.180 4.272 4.055 4.479 . 0 0 "[ . 1 . 2]" 2
480 1 38 GLU H 1 38 GLU QB . . 3.490 2.501 2.163 3.225 . 0 0 "[ . 1 . 2]" 2
481 1 38 GLU H 1 38 GLU QG . . 3.900 3.043 1.971 3.956 0.056 7 0 "[ . 1 . 2]" 2
482 1 38 GLU HA 1 38 GLU QG . . 3.430 2.707 2.202 3.340 . 0 0 "[ . 1 . 2]" 2
483 1 38 GLU QB 1 39 LYS H . . 3.850 2.753 1.957 3.960 0.110 10 0 "[ . 1 . 2]" 2
484 1 38 GLU QG 1 39 LYS H . . 4.190 3.482 1.873 4.147 . 0 0 "[ . 1 . 2]" 2
485 1 38 GLU QG 1 39 LYS QG . . 5.050 4.531 2.310 5.131 0.081 8 0 "[ . 1 . 2]" 2
486 1 39 LYS H 1 39 LYS QB . . 3.580 2.666 2.182 3.340 . 0 0 "[ . 1 . 2]" 2
487 1 39 LYS QB 1 39 LYS QE . . 4.060 3.014 1.996 3.798 . 0 0 "[ . 1 . 2]" 2
488 1 39 LYS QB 1 40 PRO HD2 . . 3.310 2.020 1.859 2.261 . 0 0 "[ . 1 . 2]" 2
489 1 39 LYS QB 1 40 PRO HD3 . . 3.650 3.335 3.036 3.567 . 0 0 "[ . 1 . 2]" 2
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