NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506471 |
1x6f   |
10244 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x6f
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 78
_Distance_constraint_stats_list.Viol_total 5.203
_Distance_constraint_stats_list.Viol_max 0.022
_Distance_constraint_stats_list.Viol_rms 0.0027
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0033
_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 28 CYS 0.100 0.022 13 0 "[ . 1 . 2]"
1 31 CYS 0.164 0.022 13 0 "[ . 1 . 2]"
1 44 HIS 0.029 0.009 18 0 "[ . 1 . 2]"
1 48 HIS 0.066 0.013 5 0 "[ . 1 . 2]"
2 1 ZN 0.162 0.016 5 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 28 CYS SG 2 1 ZN ZN . 2.330 2.370 2.334 2.318 2.371 0.012 5 0 "[ . 1 . 2]" 1
2 1 31 CYS SG 2 1 ZN ZN . 2.330 2.370 2.328 2.314 2.342 0.016 5 0 "[ . 1 . 2]" 1
3 1 44 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.345 2.326 2.372 0.004 10 0 "[ . 1 . 2]" 1
4 1 48 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.333 2.317 2.368 0.013 5 0 "[ . 1 . 2]" 1
5 1 28 CYS CB 2 1 ZN ZN . 3.250 3.510 3.343 3.265 3.433 . 0 0 "[ . 1 . 2]" 1
6 1 31 CYS CB 2 1 ZN ZN . 3.250 3.510 3.491 3.411 3.516 0.006 9 0 "[ . 1 . 2]" 1
7 1 28 CYS SG 1 31 CYS SG . 3.200 4.000 3.986 3.856 4.022 0.022 13 0 "[ . 1 . 2]" 1
8 1 28 CYS SG 1 44 HIS NE2 . 3.200 4.000 3.703 3.268 4.000 . 0 0 "[ . 1 . 2]" 1
9 1 28 CYS SG 1 48 HIS NE2 . 3.200 4.000 3.961 3.702 4.007 0.007 5 0 "[ . 1 . 2]" 1
10 1 31 CYS SG 1 44 HIS NE2 . 3.200 4.000 3.302 3.191 3.522 0.009 18 0 "[ . 1 . 2]" 1
11 1 31 CYS SG 1 48 HIS NE2 . 3.200 4.000 3.930 3.758 4.009 0.009 5 0 "[ . 1 . 2]" 1
12 1 44 HIS NE2 1 48 HIS NE2 . 3.200 4.000 3.746 3.218 3.991 . 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 694
_Distance_constraint_stats_list.Viol_count 292
_Distance_constraint_stats_list.Viol_total 127.127
_Distance_constraint_stats_list.Viol_max 0.213
_Distance_constraint_stats_list.Viol_rms 0.0050
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0218
_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 LEU 0.181 0.114 11 0 "[ . 1 . 2]"
1 9 LYS 0.029 0.024 16 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 0.166 0.087 11 0 "[ . 1 . 2]"
1 12 PHE 0.314 0.087 11 0 "[ . 1 . 2]"
1 13 ILE 0.221 0.076 11 0 "[ . 1 . 2]"
1 14 ILE 0.369 0.076 11 0 "[ . 1 . 2]"
1 15 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ARG 0.010 0.007 12 0 "[ . 1 . 2]"
1 21 LEU 0.010 0.007 12 0 "[ . 1 . 2]"
1 22 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 0.040 0.021 18 0 "[ . 1 . 2]"
1 25 THR 0.253 0.055 14 0 "[ . 1 . 2]"
1 26 TYR 0.545 0.075 7 0 "[ . 1 . 2]"
1 27 GLN 0.048 0.013 18 0 "[ . 1 . 2]"
1 28 CYS 0.385 0.071 18 0 "[ . 1 . 2]"
1 29 LYS 0.393 0.071 18 0 "[ . 1 . 2]"
1 30 HIS 0.330 0.039 4 0 "[ . 1 . 2]"
1 31 CYS 1.044 0.083 10 0 "[ . 1 . 2]"
1 32 ASP 0.925 0.083 10 0 "[ . 1 . 2]"
1 33 SER 0.056 0.033 17 0 "[ . 1 . 2]"
1 34 LYS 0.536 0.162 18 0 "[ . 1 . 2]"
1 35 LEU 1.239 0.162 18 0 "[ . 1 . 2]"
1 36 GLN 0.306 0.083 9 0 "[ . 1 . 2]"
1 37 SER 0.137 0.030 16 0 "[ . 1 . 2]"
1 38 THR 0.612 0.213 14 0 "[ . 1 . 2]"
1 39 ALA 0.437 0.213 14 0 "[ . 1 . 2]"
1 40 GLU 0.141 0.030 16 0 "[ . 1 . 2]"
1 41 LEU 0.669 0.040 8 0 "[ . 1 . 2]"
1 42 THR 0.160 0.036 14 0 "[ . 1 . 2]"
1 43 SER 0.090 0.024 18 0 "[ . 1 . 2]"
1 44 HIS 0.159 0.027 20 0 "[ . 1 . 2]"
1 45 LEU 0.028 0.013 18 0 "[ . 1 . 2]"
1 46 ASN 0.066 0.014 3 0 "[ . 1 . 2]"
1 47 ILE 0.092 0.014 3 0 "[ . 1 . 2]"
1 48 HIS 0.115 0.027 9 0 "[ . 1 . 2]"
1 49 ASN 0.066 0.046 5 0 "[ . 1 . 2]"
1 50 GLU 0.133 0.057 20 0 "[ . 1 . 2]"
1 51 GLU 0.037 0.014 2 0 "[ . 1 . 2]"
1 52 PHE 0.019 0.010 2 0 "[ . 1 . 2]"
1 53 GLN 0.230 0.165 20 0 "[ . 1 . 2]"
1 54 LYS 0.115 0.094 17 0 "[ . 1 . 2]"
1 55 ARG 0.099 0.053 7 0 "[ . 1 . 2]"
1 56 ALA 0.026 0.026 12 0 "[ . 1 . 2]"
1 57 LYS 0.245 0.054 10 0 "[ . 1 . 2]"
1 58 ARG 0.149 0.070 16 0 "[ . 1 . 2]"
1 59 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LEU 0.131 0.054 5 0 "[ . 1 . 2]"
1 66 LEU 0.018 0.012 15 0 "[ . 1 . 2]"
1 70 LYS 0.002 0.002 7 0 "[ . 1 . 2]"
1 71 TYR 0.002 0.002 7 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ASP 0.027 0.027 7 0 "[ . 1 . 2]"
1 79 PHE 0.027 0.027 7 0 "[ . 1 . 2]"
1 80 LYS 0.177 0.075 20 0 "[ . 1 . 2]"
1 81 GLN 0.177 0.075 20 0 "[ . 1 . 2]"
1 83 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLY 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 28 CYS H 1 41 LEU MD1 . . 4.810 4.024 3.719 4.423 . 0 0 "[ . 1 . 2]" 2
2 1 27 GLN HE21 1 28 CYS H . . 5.060 3.145 2.346 4.241 . 0 0 "[ . 1 . 2]" 2
3 1 27 GLN HA 1 28 CYS H . . 3.050 2.187 2.139 2.253 . 0 0 "[ . 1 . 2]" 2
4 1 28 CYS H 1 28 CYS HB3 . . 3.250 2.761 2.567 2.940 . 0 0 "[ . 1 . 2]" 2
5 1 28 CYS H 1 28 CYS HB2 . . 3.350 2.332 2.205 2.512 . 0 0 "[ . 1 . 2]" 2
6 1 27 GLN HB3 1 28 CYS H . . 4.610 4.165 3.397 4.524 . 0 0 "[ . 1 . 2]" 2
7 1 17 ASN HB3 1 18 GLY H . . 4.630 3.414 2.168 4.594 . 0 0 "[ . 1 . 2]" 2
8 1 27 GLN HE21 1 32 ASP HA . . 4.150 2.767 1.898 3.675 . 0 0 "[ . 1 . 2]" 2
9 1 27 GLN HE21 1 32 ASP QB . . 4.750 4.041 3.028 4.750 . 0 0 "[ . 1 . 2]" 2
10 1 27 GLN HE22 1 32 ASP HA . . 4.150 2.977 1.899 3.393 . 0 0 "[ . 1 . 2]" 2
11 1 27 GLN HE22 1 32 ASP QB . . 4.750 3.401 2.923 4.115 . 0 0 "[ . 1 . 2]" 2
12 1 43 SER HA 1 46 ASN HD21 . . 4.190 2.569 1.899 4.185 . 0 0 "[ . 1 . 2]" 2
13 1 42 THR MG 1 46 ASN HD21 . . 4.250 3.978 3.443 4.242 . 0 0 "[ . 1 . 2]" 2
14 1 43 SER HA 1 46 ASN HD22 . . 4.190 3.359 2.431 4.153 . 0 0 "[ . 1 . 2]" 2
15 1 42 THR MG 1 46 ASN HD22 . . 4.250 3.146 2.731 3.531 . 0 0 "[ . 1 . 2]" 2
16 1 46 ASN HA 1 49 ASN HD22 . . 4.650 3.438 1.890 4.246 . 0 0 "[ . 1 . 2]" 2
17 1 46 ASN HA 1 49 ASN HD21 . . 4.650 2.978 1.945 4.495 . 0 0 "[ . 1 . 2]" 2
18 1 29 LYS H 1 29 LYS QD . . 5.150 2.756 1.769 4.007 . 0 0 "[ . 1 . 2]" 2
19 1 14 ILE HA 1 15 LEU H . . 3.330 2.217 2.140 2.622 . 0 0 "[ . 1 . 2]" 2
20 1 14 ILE MG 1 15 LEU H . . 4.110 2.720 1.824 3.883 . 0 0 "[ . 1 . 2]" 2
21 1 26 TYR HB2 1 35 LEU H . . 4.630 3.009 2.559 3.478 . 0 0 "[ . 1 . 2]" 2
22 1 35 LEU H 1 35 LEU MD2 . . 4.390 4.170 4.026 4.286 . 0 0 "[ . 1 . 2]" 2
23 1 26 TYR H 1 35 LEU H . . 3.870 2.635 2.129 3.132 . 0 0 "[ . 1 . 2]" 2
24 1 35 LEU H 1 35 LEU HB2 . . 3.850 2.463 2.342 2.522 . 0 0 "[ . 1 . 2]" 2
25 1 34 LYS HB3 1 35 LEU H . . 3.900 3.448 3.218 3.750 . 0 0 "[ . 1 . 2]" 2
26 1 13 ILE MG 1 14 ILE H . . 4.280 3.308 2.244 4.173 . 0 0 "[ . 1 . 2]" 2
27 1 14 ILE H 1 15 LEU H . . 5.040 4.195 3.120 4.588 . 0 0 "[ . 1 . 2]" 2
28 1 83 SER H 1 84 GLY H . . 5.440 4.160 2.150 4.651 . 0 0 "[ . 1 . 2]" 2
29 1 13 ILE HA 1 14 ILE H . . 3.320 2.325 2.140 3.390 0.070 3 0 "[ . 1 . 2]" 2
30 1 13 ILE HB 1 14 ILE H . . 4.140 3.704 2.234 4.216 0.076 11 0 "[ . 1 . 2]" 2
31 1 14 ILE H 1 14 ILE HG12 . . 4.800 3.778 1.927 4.714 . 0 0 "[ . 1 . 2]" 2
32 1 14 ILE H 1 14 ILE HG13 . . 4.800 3.307 2.342 4.477 . 0 0 "[ . 1 . 2]" 2
33 1 35 LEU HG 1 37 SER H . . 5.480 5.194 4.788 5.410 . 0 0 "[ . 1 . 2]" 2
34 1 36 GLN H 1 37 SER H . . 3.630 2.838 2.661 3.028 . 0 0 "[ . 1 . 2]" 2
35 1 37 SER H 1 38 THR H . . 4.910 4.379 4.357 4.410 . 0 0 "[ . 1 . 2]" 2
36 1 37 SER H 1 41 LEU H . . 5.280 4.318 3.961 4.556 . 0 0 "[ . 1 . 2]" 2
37 1 37 SER H 1 40 GLU H . . 4.520 3.258 3.070 3.349 . 0 0 "[ . 1 . 2]" 2
38 1 37 SER H 1 40 GLU HB2 . . 3.490 2.499 2.239 2.623 . 0 0 "[ . 1 . 2]" 2
39 1 35 LEU HB3 1 37 SER H . . 4.020 3.107 2.649 3.445 . 0 0 "[ . 1 . 2]" 2
40 1 35 LEU MD2 1 37 SER H . . 4.930 4.590 4.294 4.781 . 0 0 "[ . 1 . 2]" 2
41 1 20 ARG QG 1 21 LEU H . . 5.140 3.878 2.486 4.808 . 0 0 "[ . 1 . 2]" 2
42 1 34 LYS H 1 34 LYS HG2 . . 4.600 4.236 3.847 4.347 . 0 0 "[ . 1 . 2]" 2
43 1 33 SER HA 1 34 LYS H . . 2.830 2.650 2.556 2.692 . 0 0 "[ . 1 . 2]" 2
44 1 33 SER HB2 1 34 LYS H . . 4.090 3.505 2.137 3.680 . 0 0 "[ . 1 . 2]" 2
45 1 33 SER HB3 1 34 LYS H . . 4.090 2.751 1.920 3.609 . 0 0 "[ . 1 . 2]" 2
46 1 34 LYS H 1 34 LYS HB3 . . 3.830 3.702 3.626 3.832 0.002 7 0 "[ . 1 . 2]" 2
47 1 34 LYS H 1 34 LYS HG3 . . 4.040 3.598 3.280 3.766 . 0 0 "[ . 1 . 2]" 2
48 1 53 GLN HA 1 56 ALA H . . 4.140 3.788 3.163 4.138 . 0 0 "[ . 1 . 2]" 2
49 1 55 ARG QB 1 56 ALA H . . 4.000 2.460 2.094 2.818 . 0 0 "[ . 1 . 2]" 2
50 1 56 ALA H 1 56 ALA MB . . 3.470 2.454 2.069 2.890 . 0 0 "[ . 1 . 2]" 2
51 1 65 LEU H 1 65 LEU HG . . 3.980 3.333 1.919 4.034 0.054 5 0 "[ . 1 . 2]" 2
52 1 41 LEU MD1 1 44 HIS H . . 4.990 4.596 4.429 4.837 . 0 0 "[ . 1 . 2]" 2
53 1 35 LEU MD1 1 44 HIS H . . 5.500 5.453 5.311 5.527 0.027 20 0 "[ . 1 . 2]" 2
54 1 44 HIS H 1 44 HIS HD2 . . 5.220 5.026 4.718 5.186 . 0 0 "[ . 1 . 2]" 2
55 1 43 SER QB 1 44 HIS H . . 3.610 2.562 2.300 2.760 . 0 0 "[ . 1 . 2]" 2
56 1 44 HIS H 1 44 HIS HB3 . . 3.300 2.448 2.241 2.587 . 0 0 "[ . 1 . 2]" 2
57 1 44 HIS H 1 44 HIS HB2 . . 3.320 2.624 2.475 2.863 . 0 0 "[ . 1 . 2]" 2
58 1 35 LEU HG 1 44 HIS H . . 5.500 5.463 5.345 5.522 0.022 16 0 "[ . 1 . 2]" 2
59 1 41 LEU HG 1 44 HIS H . . 5.500 5.305 5.117 5.502 0.002 14 0 "[ . 1 . 2]" 2
60 1 35 LEU MD2 1 44 HIS H . . 4.610 3.294 3.168 3.364 . 0 0 "[ . 1 . 2]" 2
61 1 41 LEU H 1 42 THR H . . 3.690 2.703 2.589 2.796 . 0 0 "[ . 1 . 2]" 2
62 1 38 THR H 1 38 THR HB . . 3.830 2.696 2.212 3.537 . 0 0 "[ . 1 . 2]" 2
63 1 38 THR HA 1 41 LEU H . . 4.620 2.963 2.866 3.112 . 0 0 "[ . 1 . 2]" 2
64 1 40 GLU HB2 1 41 LEU H . . 3.690 2.798 2.638 2.948 . 0 0 "[ . 1 . 2]" 2
65 1 41 LEU H 1 41 LEU HB3 . . 3.920 2.792 2.713 2.854 . 0 0 "[ . 1 . 2]" 2
66 1 35 LEU HG 1 41 LEU H . . 4.970 4.863 4.726 4.978 0.008 10 0 "[ . 1 . 2]" 2
67 1 41 LEU H 1 41 LEU HG . . 5.280 4.555 4.546 4.574 . 0 0 "[ . 1 . 2]" 2
68 1 41 LEU H 1 41 LEU HB2 . . 3.550 2.252 2.202 2.319 . 0 0 "[ . 1 . 2]" 2
69 1 41 LEU H 1 41 LEU MD1 . . 4.660 3.739 3.584 3.849 . 0 0 "[ . 1 . 2]" 2
70 1 29 LYS H 1 30 HIS H . . 4.280 2.598 1.927 3.047 . 0 0 "[ . 1 . 2]" 2
71 1 30 HIS H 1 48 HIS HD2 . . 5.250 5.095 4.690 5.277 0.027 9 0 "[ . 1 . 2]" 2
72 1 30 HIS H 1 30 HIS HB2 . . 3.930 2.405 2.213 2.606 . 0 0 "[ . 1 . 2]" 2
73 1 30 HIS H 1 30 HIS HB3 . . 3.930 3.593 3.486 3.747 . 0 0 "[ . 1 . 2]" 2
74 1 29 LYS QD 1 30 HIS H . . 5.130 3.710 2.503 4.711 . 0 0 "[ . 1 . 2]" 2
75 1 35 LEU MD2 1 41 LEU H . . 4.590 2.697 2.568 2.840 . 0 0 "[ . 1 . 2]" 2
76 1 25 THR HA 1 26 TYR H . . 3.100 2.278 2.153 2.491 . 0 0 "[ . 1 . 2]" 2
77 1 25 THR HB 1 26 TYR H . . 3.760 2.967 2.186 3.647 . 0 0 "[ . 1 . 2]" 2
78 1 26 TYR H 1 26 TYR QD . . 3.890 2.354 2.051 2.588 . 0 0 "[ . 1 . 2]" 2
79 1 26 TYR H 1 26 TYR QE . . 4.890 4.680 4.411 4.888 . 0 0 "[ . 1 . 2]" 2
80 1 26 TYR H 1 26 TYR HB3 . . 4.180 3.597 3.557 3.663 . 0 0 "[ . 1 . 2]" 2
81 1 26 TYR H 1 26 TYR HB2 . . 3.860 2.347 2.281 2.448 . 0 0 "[ . 1 . 2]" 2
82 1 25 THR MG 1 26 TYR H . . 4.210 3.281 1.919 3.961 . 0 0 "[ . 1 . 2]" 2
83 1 49 ASN H 1 50 GLU H . . 4.390 2.965 2.734 3.221 . 0 0 "[ . 1 . 2]" 2
84 1 49 ASN HB3 1 50 GLU H . . 4.730 3.434 3.061 3.977 . 0 0 "[ . 1 . 2]" 2
85 1 50 GLU H 1 50 GLU HG2 . . 4.650 2.689 2.046 3.854 . 0 0 "[ . 1 . 2]" 2
86 1 50 GLU H 1 50 GLU HG3 . . 4.650 3.270 1.930 3.942 . 0 0 "[ . 1 . 2]" 2
87 1 50 GLU H 1 50 GLU QB . . 3.540 2.386 2.230 2.610 . 0 0 "[ . 1 . 2]" 2
88 1 58 ARG QB 1 59 GLN H . . 4.740 3.046 2.061 4.049 . 0 0 "[ . 1 . 2]" 2
89 1 57 LYS QB 1 58 ARG H . . 3.890 2.992 1.964 3.944 0.054 10 0 "[ . 1 . 2]" 2
90 1 70 LYS QB 1 71 TYR H . . 4.810 2.892 2.043 4.036 . 0 0 "[ . 1 . 2]" 2
91 1 78 ASP HA 1 79 PHE H . . 3.450 2.449 2.143 3.477 0.027 7 0 "[ . 1 . 2]" 2
92 1 79 PHE H 1 79 PHE HD1 . . 5.410 3.802 2.240 5.300 . 0 0 "[ . 1 . 2]" 2
93 1 79 PHE H 1 79 PHE HD2 . . 5.500 4.335 2.204 5.402 . 0 0 "[ . 1 . 2]" 2
94 1 48 HIS HA 1 51 GLU H . . 4.270 3.615 3.330 4.062 . 0 0 "[ . 1 . 2]" 2
95 1 51 GLU H 1 51 GLU HG3 . . 4.450 3.358 2.137 4.270 . 0 0 "[ . 1 . 2]" 2
96 1 50 GLU QB 1 51 GLU H . . 3.510 2.965 2.365 3.499 . 0 0 "[ . 1 . 2]" 2
97 1 51 GLU H 1 51 GLU HB2 . . 3.720 2.331 2.163 2.519 . 0 0 "[ . 1 . 2]" 2
98 1 53 GLN QB 1 54 LYS H . . 3.810 2.481 2.138 3.362 . 0 0 "[ . 1 . 2]" 2
99 1 54 LYS H 1 54 LYS QB . . 3.700 2.234 2.113 2.414 . 0 0 "[ . 1 . 2]" 2
100 1 55 ARG H 1 55 ARG HG3 . . 5.500 3.877 2.380 4.620 . 0 0 "[ . 1 . 2]" 2
101 1 54 LYS H 1 54 LYS HG3 . . 4.980 3.825 2.478 4.563 . 0 0 "[ . 1 . 2]" 2
102 1 54 LYS HG3 1 55 ARG H . . 5.380 4.554 3.528 5.070 . 0 0 "[ . 1 . 2]" 2
103 1 52 PHE H 1 53 GLN H . . 3.620 2.809 2.529 2.983 . 0 0 "[ . 1 . 2]" 2
104 1 51 GLU H 1 52 PHE H . . 3.780 2.630 2.421 2.817 . 0 0 "[ . 1 . 2]" 2
105 1 49 ASN HA 1 52 PHE H . . 4.440 3.409 3.197 3.620 . 0 0 "[ . 1 . 2]" 2
106 1 52 PHE H 1 52 PHE HB3 . . 3.610 2.731 2.401 2.918 . 0 0 "[ . 1 . 2]" 2
107 1 52 PHE H 1 52 PHE HB2 . . 3.530 2.367 2.218 2.714 . 0 0 "[ . 1 . 2]" 2
108 1 51 GLU HB2 1 52 PHE H . . 3.990 2.684 2.491 2.902 . 0 0 "[ . 1 . 2]" 2
109 1 51 GLU HB3 1 52 PHE H . . 3.990 3.459 3.165 3.754 . 0 0 "[ . 1 . 2]" 2
110 1 49 ASN HB2 1 52 PHE H . . 5.500 5.393 5.070 5.505 0.005 17 0 "[ . 1 . 2]" 2
111 1 49 ASN HB3 1 52 PHE H . . 5.500 5.303 5.090 5.489 . 0 0 "[ . 1 . 2]" 2
112 1 52 PHE H 1 52 PHE QD . . 4.680 4.083 3.917 4.183 . 0 0 "[ . 1 . 2]" 2
113 1 52 PHE HA 1 55 ARG H . . 4.700 3.668 3.151 4.216 . 0 0 "[ . 1 . 2]" 2
114 1 55 ARG H 1 55 ARG QD . . 4.980 4.127 2.080 4.904 . 0 0 "[ . 1 . 2]" 2
115 1 54 LYS QB 1 55 ARG H . . 3.570 2.403 1.997 2.761 . 0 0 "[ . 1 . 2]" 2
116 1 55 ARG H 1 55 ARG QB . . 3.780 2.266 2.126 2.635 . 0 0 "[ . 1 . 2]" 2
117 1 55 ARG H 1 56 ALA MB . . 4.910 4.412 4.157 4.801 . 0 0 "[ . 1 . 2]" 2
118 1 53 GLN QB 1 55 ARG H . . 5.200 4.798 4.481 5.205 0.005 20 0 "[ . 1 . 2]" 2
119 1 27 GLN HE21 1 33 SER H . . 5.460 3.612 2.932 4.889 . 0 0 "[ . 1 . 2]" 2
120 1 28 CYS HB2 1 33 SER H . . 4.430 3.076 2.806 3.396 . 0 0 "[ . 1 . 2]" 2
121 1 31 CYS HA 1 33 SER H . . 5.250 4.955 4.535 5.148 . 0 0 "[ . 1 . 2]" 2
122 1 33 SER H 1 33 SER HB2 . . 3.820 2.617 2.211 3.652 . 0 0 "[ . 1 . 2]" 2
123 1 33 SER H 1 33 SER HB3 . . 3.820 2.846 2.527 3.534 . 0 0 "[ . 1 . 2]" 2
124 1 31 CYS HB3 1 33 SER H . . 5.230 5.063 4.722 5.263 0.033 17 0 "[ . 1 . 2]" 2
125 1 32 ASP QB 1 33 SER H . . 4.610 3.875 3.746 3.950 . 0 0 "[ . 1 . 2]" 2
126 1 44 HIS HA 1 47 ILE H . . 4.300 3.689 3.590 3.777 . 0 0 "[ . 1 . 2]" 2
127 1 46 ASN HB2 1 47 ILE H . . 4.270 2.739 2.515 2.871 . 0 0 "[ . 1 . 2]" 2
128 1 46 ASN HB3 1 47 ILE H . . 4.270 3.459 3.241 3.890 . 0 0 "[ . 1 . 2]" 2
129 1 47 ILE H 1 47 ILE HB . . 3.310 2.587 2.546 2.631 . 0 0 "[ . 1 . 2]" 2
130 1 47 ILE H 1 47 ILE HG12 . . 3.750 3.442 3.330 3.558 . 0 0 "[ . 1 . 2]" 2
131 1 47 ILE H 1 47 ILE HG13 . . 3.750 1.999 1.914 2.074 . 0 0 "[ . 1 . 2]" 2
132 1 47 ILE H 1 47 ILE MD . . 4.190 3.327 3.201 3.449 . 0 0 "[ . 1 . 2]" 2
133 1 47 ILE H 1 47 ILE MG . . 3.950 3.766 3.763 3.771 . 0 0 "[ . 1 . 2]" 2
134 1 72 ALA MB 1 73 ASP H . . 4.880 2.575 2.176 3.382 . 0 0 "[ . 1 . 2]" 2
135 1 53 GLN H 1 54 LYS H . . 3.860 2.838 2.554 3.104 . 0 0 "[ . 1 . 2]" 2
136 1 77 ALA MB 1 78 ASP H . . 4.500 2.614 2.192 3.477 . 0 0 "[ . 1 . 2]" 2
137 1 56 ALA MB 1 57 LYS H . . 4.100 3.514 2.493 3.700 . 0 0 "[ . 1 . 2]" 2
138 1 53 GLN H 1 54 LYS QB . . 5.130 4.578 4.233 4.922 . 0 0 "[ . 1 . 2]" 2
139 1 53 GLN H 1 55 ARG QB . . 5.500 5.065 4.644 5.404 . 0 0 "[ . 1 . 2]" 2
140 1 52 PHE HB3 1 53 GLN H . . 4.070 2.511 2.330 2.762 . 0 0 "[ . 1 . 2]" 2
141 1 52 PHE HB2 1 53 GLN H . . 4.020 3.708 3.559 3.979 . 0 0 "[ . 1 . 2]" 2
142 1 53 GLN H 1 53 GLN HG3 . . 4.770 3.381 1.894 4.581 . 0 0 "[ . 1 . 2]" 2
143 1 53 GLN H 1 53 GLN QB . . 3.290 2.340 2.129 2.594 . 0 0 "[ . 1 . 2]" 2
144 1 76 PHE H 1 76 PHE HD1 . . 5.300 4.362 2.028 5.284 . 0 0 "[ . 1 . 2]" 2
145 1 76 PHE H 1 76 PHE HD2 . . 5.500 4.435 3.032 5.326 . 0 0 "[ . 1 . 2]" 2
146 1 75 ALA MB 1 76 PHE H . . 4.420 2.569 2.067 3.718 . 0 0 "[ . 1 . 2]" 2
147 1 30 HIS H 1 31 CYS H . . 3.260 2.095 1.893 2.385 . 0 0 "[ . 1 . 2]" 2
148 1 31 CYS H 1 33 SER H . . 4.270 3.462 3.106 3.671 . 0 0 "[ . 1 . 2]" 2
149 1 31 CYS H 1 48 HIS HD2 . . 5.500 5.219 4.911 5.513 0.013 5 0 "[ . 1 . 2]" 2
150 1 48 HIS HD2 1 49 ASN H . . 5.500 5.032 4.775 5.318 . 0 0 "[ . 1 . 2]" 2
151 1 29 LYS HA 1 31 CYS H . . 4.900 4.513 4.337 4.738 . 0 0 "[ . 1 . 2]" 2
152 1 31 CYS H 1 31 CYS HB2 . . 4.120 3.781 3.728 3.834 . 0 0 "[ . 1 . 2]" 2
153 1 28 CYS HB3 1 31 CYS H . . 3.850 2.781 2.567 3.081 . 0 0 "[ . 1 . 2]" 2
154 1 31 CYS H 1 31 CYS HB3 . . 4.200 3.180 3.082 3.306 . 0 0 "[ . 1 . 2]" 2
155 1 30 HIS HB2 1 31 CYS H . . 4.160 2.762 2.521 2.910 . 0 0 "[ . 1 . 2]" 2
156 1 48 HIS HB3 1 49 ASN H . . 4.600 3.266 2.850 3.493 . 0 0 "[ . 1 . 2]" 2
157 1 30 HIS HB3 1 31 CYS H . . 4.160 3.337 3.080 3.550 . 0 0 "[ . 1 . 2]" 2
158 1 40 GLU H 1 40 GLU HG2 . . 4.590 3.451 2.513 4.148 . 0 0 "[ . 1 . 2]" 2
159 1 40 GLU H 1 40 GLU HB2 . . 3.460 2.256 2.191 2.420 . 0 0 "[ . 1 . 2]" 2
160 1 39 ALA MB 1 40 GLU H . . 3.580 2.671 2.528 2.812 . 0 0 "[ . 1 . 2]" 2
161 1 40 GLU H 1 40 GLU HB3 . . 3.780 3.533 3.483 3.604 . 0 0 "[ . 1 . 2]" 2
162 1 44 HIS HB3 1 45 LEU H . . 4.020 2.419 2.149 2.749 . 0 0 "[ . 1 . 2]" 2
163 1 45 LEU H 1 45 LEU MD1 . . 4.390 3.687 3.580 3.807 . 0 0 "[ . 1 . 2]" 2
164 1 41 LEU HA 1 45 LEU H . . 4.300 3.259 3.072 3.662 . 0 0 "[ . 1 . 2]" 2
165 1 44 HIS HB2 1 45 LEU H . . 4.310 3.819 3.629 4.032 . 0 0 "[ . 1 . 2]" 2
166 1 45 LEU H 1 45 LEU HG . . 3.680 2.729 2.523 2.875 . 0 0 "[ . 1 . 2]" 2
167 1 45 LEU H 1 45 LEU HB2 . . 3.990 2.259 2.191 2.355 . 0 0 "[ . 1 . 2]" 2
168 1 45 LEU H 1 45 LEU HB3 . . 3.990 3.534 3.499 3.570 . 0 0 "[ . 1 . 2]" 2
169 1 41 LEU MD1 1 45 LEU H . . 4.940 3.694 3.251 4.462 . 0 0 "[ . 1 . 2]" 2
170 1 45 LEU HA 1 49 ASN H . . 5.130 4.729 4.364 4.988 . 0 0 "[ . 1 . 2]" 2
171 1 45 LEU HB2 1 46 ASN H . . 4.070 2.651 2.523 2.766 . 0 0 "[ . 1 . 2]" 2
172 1 45 LEU HB3 1 46 ASN H . . 4.070 3.186 2.957 3.405 . 0 0 "[ . 1 . 2]" 2
173 1 45 LEU MD1 1 46 ASN H . . 4.800 4.483 4.286 4.611 . 0 0 "[ . 1 . 2]" 2
174 1 45 LEU H 1 46 ASN H . . 3.640 2.879 2.684 3.017 . 0 0 "[ . 1 . 2]" 2
175 1 44 HIS H 1 46 ASN H . . 4.880 4.294 4.091 4.601 . 0 0 "[ . 1 . 2]" 2
176 1 43 SER HA 1 46 ASN H . . 4.340 3.671 3.362 3.903 . 0 0 "[ . 1 . 2]" 2
177 1 46 ASN H 1 47 ILE HA . . 5.500 5.469 5.368 5.514 0.014 3 0 "[ . 1 . 2]" 2
178 1 46 ASN H 1 46 ASN HB2 . . 3.630 2.420 2.269 2.784 . 0 0 "[ . 1 . 2]" 2
179 1 46 ASN H 1 46 ASN HB3 . . 3.630 3.580 3.543 3.612 . 0 0 "[ . 1 . 2]" 2
180 1 45 LEU MD2 1 48 HIS H . . 4.890 4.386 4.281 4.514 . 0 0 "[ . 1 . 2]" 2
181 1 48 HIS H 1 49 ASN H . . 3.890 2.792 2.576 3.246 . 0 0 "[ . 1 . 2]" 2
182 1 47 ILE H 1 48 HIS H . . 3.470 2.823 2.604 2.946 . 0 0 "[ . 1 . 2]" 2
183 1 45 LEU HA 1 48 HIS H . . 4.020 3.407 3.279 3.525 . 0 0 "[ . 1 . 2]" 2
184 1 48 HIS H 1 48 HIS HB2 . . 3.480 2.408 2.348 2.499 . 0 0 "[ . 1 . 2]" 2
185 1 48 HIS H 1 48 HIS HB3 . . 3.770 3.587 3.575 3.602 . 0 0 "[ . 1 . 2]" 2
186 1 48 HIS H 1 50 GLU QB . . 5.500 5.317 4.632 5.509 0.009 2 0 "[ . 1 . 2]" 2
187 1 48 HIS H 1 51 GLU HB2 . . 5.500 5.116 4.709 5.491 . 0 0 "[ . 1 . 2]" 2
188 1 47 ILE HB 1 48 HIS H . . 3.660 2.603 2.320 2.967 . 0 0 "[ . 1 . 2]" 2
189 1 47 ILE MG 1 48 HIS H . . 4.120 3.425 3.226 3.706 . 0 0 "[ . 1 . 2]" 2
190 1 28 CYS HB3 1 32 ASP H . . 4.980 2.701 2.122 3.152 . 0 0 "[ . 1 . 2]" 2
191 1 32 ASP H 1 32 ASP QB . . 3.680 3.128 2.999 3.184 . 0 0 "[ . 1 . 2]" 2
192 1 36 GLN H 1 36 GLN HB2 . . 3.650 2.357 2.165 3.584 . 0 0 "[ . 1 . 2]" 2
193 1 36 GLN H 1 36 GLN HB3 . . 3.650 3.315 2.676 3.591 . 0 0 "[ . 1 . 2]" 2
194 1 35 LEU HB3 1 36 GLN H . . 3.710 2.612 2.481 3.031 . 0 0 "[ . 1 . 2]" 2
195 1 35 LEU HG 1 36 GLN H . . 4.590 3.728 3.518 3.966 . 0 0 "[ . 1 . 2]" 2
196 1 35 LEU MD2 1 36 GLN H . . 4.730 4.441 4.282 4.754 0.024 20 0 "[ . 1 . 2]" 2
197 1 35 LEU MD1 1 36 GLN H . . 4.750 4.340 4.208 4.459 . 0 0 "[ . 1 . 2]" 2
198 1 42 THR H 1 42 THR HB . . 3.330 2.641 2.542 2.742 . 0 0 "[ . 1 . 2]" 2
199 1 39 ALA HA 1 42 THR H . . 4.410 3.955 3.706 4.226 . 0 0 "[ . 1 . 2]" 2
200 1 38 THR HA 1 42 THR H . . 4.380 3.723 3.240 4.080 . 0 0 "[ . 1 . 2]" 2
201 1 41 LEU HB3 1 42 THR H . . 3.760 2.551 2.349 2.778 . 0 0 "[ . 1 . 2]" 2
202 1 41 LEU HG 1 42 THR H . . 4.560 4.278 4.168 4.458 . 0 0 "[ . 1 . 2]" 2
203 1 42 THR H 1 42 THR MG . . 3.830 3.764 3.748 3.772 . 0 0 "[ . 1 . 2]" 2
204 1 42 THR H 1 45 LEU MD1 . . 4.990 4.613 4.275 4.875 . 0 0 "[ . 1 . 2]" 2
205 1 41 LEU MD1 1 42 THR H . . 4.860 4.670 4.610 4.738 . 0 0 "[ . 1 . 2]" 2
206 1 42 THR H 1 43 SER H . . 3.620 2.781 2.656 2.885 . 0 0 "[ . 1 . 2]" 2
207 1 43 SER H 1 44 HIS H . . 3.500 2.347 2.253 2.529 . 0 0 "[ . 1 . 2]" 2
208 1 42 THR HB 1 43 SER H . . 3.210 2.763 2.676 2.887 . 0 0 "[ . 1 . 2]" 2
209 1 40 GLU HA 1 43 SER H . . 3.670 3.611 3.463 3.692 0.022 14 0 "[ . 1 . 2]" 2
210 1 43 SER H 1 43 SER QB . . 3.120 2.308 2.201 2.516 . 0 0 "[ . 1 . 2]" 2
211 1 43 SER H 1 44 HIS HB3 . . 4.810 4.405 4.241 4.571 . 0 0 "[ . 1 . 2]" 2
212 1 42 THR MG 1 43 SER H . . 3.960 3.646 3.522 3.814 . 0 0 "[ . 1 . 2]" 2
213 1 32 ASP H 1 33 SER H . . 3.600 2.624 2.523 2.706 . 0 0 "[ . 1 . 2]" 2
214 1 33 SER H 1 34 LYS H . . 4.650 4.457 4.429 4.511 . 0 0 "[ . 1 . 2]" 2
215 1 40 GLU H 1 41 LEU H . . 3.630 2.405 2.289 2.500 . 0 0 "[ . 1 . 2]" 2
216 1 27 GLN HE22 1 28 CYS H . . 5.060 4.243 3.193 4.847 . 0 0 "[ . 1 . 2]" 2
217 1 48 HIS H 1 48 HIS HD2 . . 4.160 3.950 3.637 4.155 . 0 0 "[ . 1 . 2]" 2
218 1 44 HIS H 1 45 LEU H . . 3.720 2.832 2.689 2.941 . 0 0 "[ . 1 . 2]" 2
219 1 46 ASN HA 1 48 HIS H . . 4.630 4.247 3.865 4.617 . 0 0 "[ . 1 . 2]" 2
220 1 35 LEU H 1 35 LEU HB3 . . 4.160 3.650 3.564 3.693 . 0 0 "[ . 1 . 2]" 2
221 1 34 LYS HA 1 35 LEU H . . 3.240 2.151 2.140 2.167 . 0 0 "[ . 1 . 2]" 2
222 1 34 LYS H 1 35 LEU MD2 . . 5.500 5.517 5.450 5.662 0.162 18 0 "[ . 1 . 2]" 2
223 1 55 ARG HA 1 57 LYS H . . 4.520 4.129 3.409 4.522 0.002 12 0 "[ . 1 . 2]" 2
224 1 47 ILE HA 1 50 GLU H . . 5.230 3.976 3.670 4.480 . 0 0 "[ . 1 . 2]" 2
225 1 50 GLU HA 1 53 GLN H . . 4.160 3.753 3.376 4.034 . 0 0 "[ . 1 . 2]" 2
226 1 51 GLU HA 1 53 GLN H . . 4.690 4.414 4.202 4.675 . 0 0 "[ . 1 . 2]" 2
227 1 52 PHE H 1 55 ARG H . . 5.500 4.973 4.599 5.409 . 0 0 "[ . 1 . 2]" 2
228 1 52 PHE H 1 54 LYS H . . 4.930 4.409 4.034 4.698 . 0 0 "[ . 1 . 2]" 2
229 1 51 GLU H 1 53 GLN H . . 4.880 4.279 3.971 4.456 . 0 0 "[ . 1 . 2]" 2
230 1 49 ASN H 1 51 GLU H . . 4.400 4.235 3.979 4.411 0.011 5 0 "[ . 1 . 2]" 2
231 1 50 GLU H 1 51 GLU H . . 3.850 2.839 2.664 3.055 . 0 0 "[ . 1 . 2]" 2
232 1 48 HIS H 1 50 GLU H . . 5.320 4.378 4.112 4.784 . 0 0 "[ . 1 . 2]" 2
233 1 47 ILE H 1 49 ASN H . . 5.040 4.557 4.307 4.983 . 0 0 "[ . 1 . 2]" 2
234 1 46 ASN H 1 48 HIS H . . 4.710 4.445 4.146 4.696 . 0 0 "[ . 1 . 2]" 2
235 1 45 LEU H 1 47 ILE H . . 4.550 4.356 4.208 4.494 . 0 0 "[ . 1 . 2]" 2
236 1 43 SER H 1 45 LEU H . . 5.310 4.104 3.837 4.353 . 0 0 "[ . 1 . 2]" 2
237 1 42 THR H 1 44 HIS H . . 5.150 4.239 4.090 4.520 . 0 0 "[ . 1 . 2]" 2
238 1 41 LEU H 1 43 SER H . . 4.210 4.176 4.125 4.234 0.024 18 0 "[ . 1 . 2]" 2
239 1 40 GLU H 1 42 THR H . . 4.170 4.054 3.862 4.167 . 0 0 "[ . 1 . 2]" 2
240 1 26 TYR HB2 1 27 GLN H . . 5.500 4.364 3.892 4.479 . 0 0 "[ . 1 . 2]" 2
241 1 26 TYR HB3 1 27 GLN H . . 5.500 3.435 2.619 3.632 . 0 0 "[ . 1 . 2]" 2
242 1 28 CYS HB3 1 30 HIS H . . 5.030 3.164 2.994 3.428 . 0 0 "[ . 1 . 2]" 2
243 1 28 CYS HB2 1 30 HIS H . . 4.890 4.333 4.260 4.431 . 0 0 "[ . 1 . 2]" 2
244 1 29 LYS HG2 1 30 HIS H . . 5.500 4.285 2.907 5.427 . 0 0 "[ . 1 . 2]" 2
245 1 25 THR H 1 26 TYR H . . 5.150 4.528 4.381 4.626 . 0 0 "[ . 1 . 2]" 2
246 1 27 GLN HE21 1 32 ASP H . . 5.500 4.697 3.887 5.492 . 0 0 "[ . 1 . 2]" 2
247 1 27 GLN HE22 1 32 ASP H . . 5.500 5.020 3.702 5.406 . 0 0 "[ . 1 . 2]" 2
248 1 27 GLN HE22 1 34 LYS HG2 . . 5.500 4.212 3.557 4.704 . 0 0 "[ . 1 . 2]" 2
249 1 27 GLN HE21 1 34 LYS HG2 . . 5.500 4.110 3.045 5.114 . 0 0 "[ . 1 . 2]" 2
250 1 27 GLN HE21 1 34 LYS HG3 . . 5.500 4.110 3.225 5.276 . 0 0 "[ . 1 . 2]" 2
251 1 28 CYS H 1 34 LYS HG2 . . 5.260 4.929 4.334 5.212 . 0 0 "[ . 1 . 2]" 2
252 1 28 CYS H 1 31 CYS H . . 5.500 5.396 5.158 5.511 0.011 16 0 "[ . 1 . 2]" 2
253 1 29 LYS HG3 1 30 HIS H . . 5.500 4.297 2.829 5.394 . 0 0 "[ . 1 . 2]" 2
254 1 28 CYS H 1 30 HIS H . . 5.500 5.187 4.975 5.539 0.039 4 0 "[ . 1 . 2]" 2
255 1 28 CYS HB2 1 31 CYS H . . 4.400 4.312 4.203 4.434 0.034 3 0 "[ . 1 . 2]" 2
256 1 29 LYS HA 1 32 ASP H . . 5.310 3.805 3.524 3.998 . 0 0 "[ . 1 . 2]" 2
257 1 30 HIS H 1 32 ASP H . . 4.080 2.800 2.500 3.171 . 0 0 "[ . 1 . 2]" 2
258 1 27 GLN HE22 1 33 SER H . . 5.460 3.943 2.651 4.560 . 0 0 "[ . 1 . 2]" 2
259 1 33 SER H 1 33 SER HG . . 5.330 4.181 1.980 4.602 . 0 0 "[ . 1 . 2]" 2
260 1 26 TYR HB3 1 35 LEU H . . 5.150 4.086 3.686 4.407 . 0 0 "[ . 1 . 2]" 2
261 1 35 LEU HB2 1 41 LEU H . . 4.810 4.408 4.163 4.623 . 0 0 "[ . 1 . 2]" 2
262 1 35 LEU HB3 1 41 LEU H . . 5.040 3.719 3.462 3.852 . 0 0 "[ . 1 . 2]" 2
263 1 35 LEU HB2 1 36 GLN H . . 4.190 3.914 3.816 4.188 . 0 0 "[ . 1 . 2]" 2
264 1 29 LYS H 1 29 LYS HG3 . . 5.270 2.943 1.873 4.081 . 0 0 "[ . 1 . 2]" 2
265 1 7 GLY QA 1 8 LEU QB . . 4.590 3.891 3.529 4.406 . 0 0 "[ . 1 . 2]" 2
266 1 44 HIS HE1 1 47 ILE MD . . 4.310 3.788 3.511 4.218 . 0 0 "[ . 1 . 2]" 2
267 1 44 HIS HA 1 47 ILE MD . . 3.950 2.002 1.843 2.155 . 0 0 "[ . 1 . 2]" 2
268 1 47 ILE HA 1 47 ILE MD . . 4.050 3.873 3.850 3.899 . 0 0 "[ . 1 . 2]" 2
269 1 47 ILE HB 1 47 ILE MD . . 3.470 2.236 2.131 2.375 . 0 0 "[ . 1 . 2]" 2
270 1 12 PHE QE 1 14 ILE MD . . 4.770 3.414 1.865 4.824 0.054 11 0 "[ . 1 . 2]" 2
271 1 13 ILE HA 1 14 ILE MD . . 5.280 4.079 2.728 5.045 . 0 0 "[ . 1 . 2]" 2
272 1 13 ILE HA 1 13 ILE MD . . 4.530 3.428 1.988 4.181 . 0 0 "[ . 1 . 2]" 2
273 1 55 ARG HA 1 55 ARG QD . . 4.340 3.264 2.087 4.265 . 0 0 "[ . 1 . 2]" 2
274 1 55 ARG QB 1 55 ARG QD . . 2.890 2.260 2.094 2.531 . 0 0 "[ . 1 . 2]" 2
275 1 34 LYS QE 1 34 LYS HG2 . . 3.900 2.978 2.233 3.499 . 0 0 "[ . 1 . 2]" 2
276 1 25 THR MG 1 34 LYS QE . . 4.770 4.213 3.325 4.663 . 0 0 "[ . 1 . 2]" 2
277 1 35 LEU HB3 1 41 LEU MD2 . . 5.500 5.490 5.307 5.528 0.028 16 0 "[ . 1 . 2]" 2
278 1 34 LYS QE 1 34 LYS HG3 . . 3.440 2.484 2.114 3.040 . 0 0 "[ . 1 . 2]" 2
279 1 57 LYS QB 1 57 LYS QE . . 4.510 2.847 1.955 3.766 . 0 0 "[ . 1 . 2]" 2
280 1 29 LYS QE 1 45 LEU MD2 . . 4.950 4.081 2.915 4.949 . 0 0 "[ . 1 . 2]" 2
281 1 29 LYS QE 1 45 LEU MD1 . . 5.470 4.547 3.506 5.377 . 0 0 "[ . 1 . 2]" 2
282 1 29 LYS QE 1 30 HIS HE1 . . 4.770 3.325 1.982 4.649 . 0 0 "[ . 1 . 2]" 2
283 1 35 LEU HB3 1 40 GLU HB3 . . 4.630 2.737 2.386 2.927 . 0 0 "[ . 1 . 2]" 2
284 1 35 LEU HB3 1 40 GLU HA . . 5.500 4.998 4.754 5.182 . 0 0 "[ . 1 . 2]" 2
285 1 35 LEU HB3 1 41 LEU HA . . 5.500 4.421 4.261 4.510 . 0 0 "[ . 1 . 2]" 2
286 1 26 TYR HB3 1 35 LEU HB3 . . 5.170 4.812 4.376 5.110 . 0 0 "[ . 1 . 2]" 2
287 1 35 LEU HB3 1 40 GLU HB2 . . 4.610 2.363 2.124 2.570 . 0 0 "[ . 1 . 2]" 2
288 1 35 LEU HB2 1 40 GLU HB3 . . 4.940 4.205 3.879 4.421 . 0 0 "[ . 1 . 2]" 2
289 1 35 LEU HB2 1 41 LEU HB2 . . 5.020 3.835 3.699 4.051 . 0 0 "[ . 1 . 2]" 2
290 1 35 LEU HB2 1 37 SER H . . 4.980 4.415 3.937 4.940 . 0 0 "[ . 1 . 2]" 2
291 1 35 LEU HB2 1 40 GLU HB2 . . 4.530 3.980 3.717 4.212 . 0 0 "[ . 1 . 2]" 2
292 1 35 LEU HB2 1 41 LEU HA . . 4.840 4.368 4.243 4.503 . 0 0 "[ . 1 . 2]" 2
293 1 41 LEU HB3 1 45 LEU MD1 . . 5.010 3.628 3.266 3.925 . 0 0 "[ . 1 . 2]" 2
294 1 35 LEU MD2 1 41 LEU HB3 . . 4.480 3.724 3.655 3.831 . 0 0 "[ . 1 . 2]" 2
295 1 41 LEU HB2 1 42 THR H . . 4.740 3.629 3.488 3.754 . 0 0 "[ . 1 . 2]" 2
296 1 35 LEU MD2 1 41 LEU HB2 . . 4.300 2.542 2.408 2.818 . 0 0 "[ . 1 . 2]" 2
297 1 17 ASN HB2 1 18 GLY H . . 4.630 3.717 2.539 4.559 . 0 0 "[ . 1 . 2]" 2
298 1 25 THR HB 1 26 TYR QD . . 5.020 4.754 4.248 5.075 0.055 14 0 "[ . 1 . 2]" 2
299 1 25 THR HB 1 34 LYS HB3 . . 4.240 3.104 2.436 3.887 . 0 0 "[ . 1 . 2]" 2
300 1 25 THR HB 1 34 LYS QD . . 4.700 3.082 2.490 3.392 . 0 0 "[ . 1 . 2]" 2
301 1 26 TYR HB3 1 35 LEU HB2 . . 4.660 3.422 3.169 3.690 . 0 0 "[ . 1 . 2]" 2
302 1 26 TYR HB3 1 41 LEU HB2 . . 4.880 3.875 3.386 4.097 . 0 0 "[ . 1 . 2]" 2
303 1 26 TYR HB3 1 41 LEU MD1 . . 4.580 2.865 2.580 3.245 . 0 0 "[ . 1 . 2]" 2
304 1 26 TYR HB3 1 35 LEU MD2 . . 4.650 4.164 3.977 4.434 . 0 0 "[ . 1 . 2]" 2
305 1 26 TYR HB3 1 41 LEU HG . . 5.500 5.419 5.194 5.523 0.023 14 0 "[ . 1 . 2]" 2
306 1 26 TYR HB2 1 35 LEU HB2 . . 4.550 2.223 2.104 2.422 . 0 0 "[ . 1 . 2]" 2
307 1 26 TYR HB2 1 35 LEU HB3 . . 4.980 3.366 3.124 3.653 . 0 0 "[ . 1 . 2]" 2
308 1 26 TYR HB2 1 41 LEU MD1 . . 4.760 3.388 3.034 3.888 . 0 0 "[ . 1 . 2]" 2
309 1 26 TYR HB2 1 35 LEU MD2 . . 4.890 3.663 3.422 4.095 . 0 0 "[ . 1 . 2]" 2
310 1 49 ASN HB2 1 50 GLU H . . 4.730 2.427 2.037 3.164 . 0 0 "[ . 1 . 2]" 2
311 1 14 ILE H 1 14 ILE HB . . 3.930 2.732 2.495 3.471 . 0 0 "[ . 1 . 2]" 2
312 1 14 ILE HB 1 14 ILE MD . . 3.710 2.476 2.091 3.226 . 0 0 "[ . 1 . 2]" 2
313 1 49 ASN HA 1 52 PHE HB3 . . 4.250 3.014 2.323 3.389 . 0 0 "[ . 1 . 2]" 2
314 1 52 PHE HB3 1 53 GLN HA . . 5.030 4.071 3.914 4.343 . 0 0 "[ . 1 . 2]" 2
315 1 49 ASN HA 1 52 PHE HB2 . . 4.280 3.083 2.621 3.671 . 0 0 "[ . 1 . 2]" 2
316 1 43 SER HA 1 46 ASN HB3 . . 4.580 4.477 4.225 4.588 0.008 14 0 "[ . 1 . 2]" 2
317 1 39 ALA HA 1 42 THR HB . . 3.640 3.514 3.356 3.636 . 0 0 "[ . 1 . 2]" 2
318 1 39 ALA MB 1 42 THR HB . . 4.930 4.772 4.597 4.927 . 0 0 "[ . 1 . 2]" 2
319 1 40 GLU HA 1 40 GLU HG2 . . 4.050 2.812 2.171 3.658 . 0 0 "[ . 1 . 2]" 2
320 1 40 GLU HA 1 40 GLU HG3 . . 4.050 3.174 2.363 3.731 . 0 0 "[ . 1 . 2]" 2
321 1 40 GLU H 1 40 GLU HG3 . . 4.590 3.643 2.957 4.230 . 0 0 "[ . 1 . 2]" 2
322 1 44 HIS HA 1 47 ILE HB . . 4.300 3.927 3.699 4.096 . 0 0 "[ . 1 . 2]" 2
323 1 38 THR HB 1 41 LEU HB3 . . 5.240 5.078 4.543 5.196 . 0 0 "[ . 1 . 2]" 2
324 1 38 THR HB 1 39 ALA MB . . 5.060 4.199 3.913 5.131 0.071 7 0 "[ . 1 . 2]" 2
325 1 42 THR HA 1 45 LEU H . . 4.580 4.296 4.074 4.491 . 0 0 "[ . 1 . 2]" 2
326 1 42 THR HA 1 45 LEU MD1 . . 3.830 3.382 2.875 3.822 . 0 0 "[ . 1 . 2]" 2
327 1 41 LEU MD1 1 42 THR HA . . 5.500 5.463 5.268 5.536 0.036 14 0 "[ . 1 . 2]" 2
328 1 50 GLU HA 1 50 GLU HG2 . . 4.250 3.351 2.338 4.242 . 0 0 "[ . 1 . 2]" 2
329 1 47 ILE HA 1 50 GLU HG2 . . 5.100 3.343 1.998 4.948 . 0 0 "[ . 1 . 2]" 2
330 1 50 GLU HA 1 50 GLU HG3 . . 4.250 3.518 2.362 3.801 . 0 0 "[ . 1 . 2]" 2
331 1 51 GLU H 1 51 GLU HG2 . . 4.450 2.941 2.253 3.874 . 0 0 "[ . 1 . 2]" 2
332 1 48 HIS HA 1 51 GLU HG2 . . 4.990 4.383 3.589 4.991 0.001 9 0 "[ . 1 . 2]" 2
333 1 48 HIS HA 1 51 GLU HG3 . . 4.990 3.695 3.073 5.004 0.014 2 0 "[ . 1 . 2]" 2
334 1 37 SER HB2 1 39 ALA MB . . 4.740 3.805 3.101 4.624 . 0 0 "[ . 1 . 2]" 2
335 1 38 THR HA 1 41 LEU HB3 . . 3.690 2.581 2.408 2.802 . 0 0 "[ . 1 . 2]" 2
336 1 38 THR HA 1 41 LEU HG . . 5.030 4.893 4.721 5.039 0.009 19 0 "[ . 1 . 2]" 2
337 1 38 THR HA 1 41 LEU HB2 . . 4.010 2.616 2.454 2.756 . 0 0 "[ . 1 . 2]" 2
338 1 35 LEU MD2 1 38 THR HA . . 4.710 4.579 4.392 4.743 0.033 14 0 "[ . 1 . 2]" 2
339 1 26 TYR QE 1 38 THR HA . . 4.840 3.197 2.639 3.640 . 0 0 "[ . 1 . 2]" 2
340 1 38 THR HA 1 41 LEU MD1 . . 4.600 4.455 4.288 4.603 0.003 10 0 "[ . 1 . 2]" 2
341 1 36 GLN H 1 36 GLN HG2 . . 4.610 3.692 2.057 4.540 . 0 0 "[ . 1 . 2]" 2
342 1 36 GLN HA 1 36 GLN HG2 . . 4.140 3.018 2.180 3.785 . 0 0 "[ . 1 . 2]" 2
343 1 36 GLN H 1 36 GLN HG3 . . 4.610 3.528 2.135 4.606 . 0 0 "[ . 1 . 2]" 2
344 1 36 GLN HA 1 36 GLN HG3 . . 4.140 2.949 2.167 3.735 . 0 0 "[ . 1 . 2]" 2
345 1 53 GLN H 1 53 GLN HG2 . . 4.770 3.444 2.026 4.600 . 0 0 "[ . 1 . 2]" 2
346 1 53 GLN HA 1 53 GLN HG2 . . 4.010 2.952 2.205 4.175 0.165 20 0 "[ . 1 . 2]" 2
347 1 63 LYS QB 1 64 GLN QG . . 4.940 4.279 2.460 4.939 . 0 0 "[ . 1 . 2]" 2
348 1 63 LYS QG 1 64 GLN QG . . 5.110 4.665 3.477 5.105 . 0 0 "[ . 1 . 2]" 2
349 1 22 GLN HA 1 22 GLN QG . . 3.860 2.625 2.250 3.497 . 0 0 "[ . 1 . 2]" 2
350 1 34 LYS H 1 34 LYS HB2 . . 4.020 2.597 2.507 2.731 . 0 0 "[ . 1 . 2]" 2
351 1 25 THR MG 1 34 LYS HB2 . . 5.090 4.248 3.282 4.815 . 0 0 "[ . 1 . 2]" 2
352 1 27 GLN HA 1 27 GLN HG2 . . 4.130 3.129 2.327 3.883 . 0 0 "[ . 1 . 2]" 2
353 1 27 GLN HA 1 27 GLN HG3 . . 4.130 3.285 2.889 3.670 . 0 0 "[ . 1 . 2]" 2
354 1 34 LYS HB2 1 35 LEU H . . 4.860 4.394 4.185 4.525 . 0 0 "[ . 1 . 2]" 2
355 1 47 ILE HA 1 50 GLU HG3 . . 5.100 3.716 3.029 5.107 0.007 1 0 "[ . 1 . 2]" 2
356 1 47 ILE HA 1 50 GLU QB . . 4.090 3.373 2.309 4.060 . 0 0 "[ . 1 . 2]" 2
357 1 47 ILE HA 1 47 ILE HG12 . . 3.900 2.677 2.586 2.770 . 0 0 "[ . 1 . 2]" 2
358 1 47 ILE HA 1 47 ILE HG13 . . 3.900 2.827 2.725 2.907 . 0 0 "[ . 1 . 2]" 2
359 1 33 SER HB2 1 44 HIS HE1 . . 4.850 3.892 3.346 4.817 . 0 0 "[ . 1 . 2]" 2
360 1 33 SER HB3 1 44 HIS HE1 . . 4.850 4.111 3.644 4.738 . 0 0 "[ . 1 . 2]" 2
361 1 28 CYS HB3 1 33 SER HB3 . . 4.700 3.461 2.739 4.654 . 0 0 "[ . 1 . 2]" 2
362 1 28 CYS HB2 1 33 SER HB3 . . 4.900 3.256 2.718 4.433 . 0 0 "[ . 1 . 2]" 2
363 1 33 SER HB3 1 35 LEU MD1 . . 4.230 2.709 2.403 3.856 . 0 0 "[ . 1 . 2]" 2
364 1 28 CYS HB2 1 33 SER HB2 . . 4.900 3.946 2.594 4.556 . 0 0 "[ . 1 . 2]" 2
365 1 29 LYS HB2 1 29 LYS QE . . 5.100 3.872 3.070 4.524 . 0 0 "[ . 1 . 2]" 2
366 1 29 LYS HB3 1 29 LYS QE . . 5.100 3.668 1.935 4.477 . 0 0 "[ . 1 . 2]" 2
367 1 40 GLU HA 1 43 SER QB . . 3.460 3.255 3.048 3.425 . 0 0 "[ . 1 . 2]" 2
368 1 31 CYS HB2 1 33 SER H . . 4.830 4.455 4.079 4.730 . 0 0 "[ . 1 . 2]" 2
369 1 31 CYS HB2 1 32 ASP H . . 4.360 4.218 4.032 4.352 . 0 0 "[ . 1 . 2]" 2
370 1 31 CYS HB2 1 32 ASP QB . . 4.770 4.608 4.515 4.678 . 0 0 "[ . 1 . 2]" 2
371 1 31 CYS HB3 1 32 ASP H . . 4.500 4.350 4.218 4.445 . 0 0 "[ . 1 . 2]" 2
372 1 31 CYS HB3 1 32 ASP QB . . 5.500 5.543 5.471 5.583 0.083 10 0 "[ . 1 . 2]" 2
373 1 36 GLN H 1 40 GLU HB3 . . 4.840 3.763 3.525 4.105 . 0 0 "[ . 1 . 2]" 2
374 1 37 SER H 1 40 GLU HB3 . . 4.160 4.091 3.805 4.173 0.013 19 0 "[ . 1 . 2]" 2
375 1 40 GLU HB3 1 41 LEU H . . 4.520 3.452 3.261 3.626 . 0 0 "[ . 1 . 2]" 2
376 1 30 HIS HB3 1 48 HIS HD2 . . 4.590 3.243 2.622 3.780 . 0 0 "[ . 1 . 2]" 2
377 1 43 SER HA 1 46 ASN HB2 . . 4.580 3.039 2.722 3.546 . 0 0 "[ . 1 . 2]" 2
378 1 42 THR MG 1 43 SER HA . . 4.530 3.653 3.483 3.930 . 0 0 "[ . 1 . 2]" 2
379 1 33 SER HA 1 34 LYS HB2 . . 4.720 4.332 4.255 4.588 . 0 0 "[ . 1 . 2]" 2
380 1 33 SER HA 1 34 LYS HG3 . . 4.950 3.992 3.628 4.187 . 0 0 "[ . 1 . 2]" 2
381 1 14 ILE HA 1 14 ILE HG12 . . 4.230 3.081 2.568 3.569 . 0 0 "[ . 1 . 2]" 2
382 1 14 ILE HA 1 14 ILE HG13 . . 4.230 2.911 2.288 3.775 . 0 0 "[ . 1 . 2]" 2
383 1 13 ILE HA 1 13 ILE MG . . 3.560 2.575 2.081 3.192 . 0 0 "[ . 1 . 2]" 2
384 1 28 CYS HB3 1 33 SER HB2 . . 4.700 3.569 2.461 4.675 . 0 0 "[ . 1 . 2]" 2
385 1 28 CYS HB3 1 33 SER H . . 3.400 1.906 1.864 2.061 . 0 0 "[ . 1 . 2]" 2
386 1 28 CYS HB3 1 44 HIS HD2 . . 5.120 4.601 4.211 5.104 . 0 0 "[ . 1 . 2]" 2
387 1 28 CYS HB3 1 32 ASP HA . . 4.220 3.553 3.016 3.972 . 0 0 "[ . 1 . 2]" 2
388 1 28 CYS HB3 1 41 LEU MD1 . . 5.040 4.347 4.120 4.532 . 0 0 "[ . 1 . 2]" 2
389 1 28 CYS HB3 1 35 LEU MD1 . . 4.900 4.308 4.028 4.678 . 0 0 "[ . 1 . 2]" 2
390 1 28 CYS HB2 1 44 HIS HD2 . . 4.190 3.633 3.231 4.127 . 0 0 "[ . 1 . 2]" 2
391 1 27 GLN HA 1 28 CYS HB2 . . 4.920 4.463 4.367 4.750 . 0 0 "[ . 1 . 2]" 2
392 1 28 CYS HB2 1 32 ASP HA . . 5.430 4.965 4.403 5.370 . 0 0 "[ . 1 . 2]" 2
393 1 28 CYS HB2 1 41 LEU MD1 . . 4.630 3.065 2.749 3.315 . 0 0 "[ . 1 . 2]" 2
394 1 54 LYS HA 1 54 LYS QD . . 4.080 2.947 1.988 4.085 0.005 20 0 "[ . 1 . 2]" 2
395 1 28 CYS HA 1 30 HIS H . . 5.060 3.722 3.356 4.029 . 0 0 "[ . 1 . 2]" 2
396 1 28 CYS HA 1 29 LYS QD . . 5.500 4.388 3.164 5.571 0.071 18 0 "[ . 1 . 2]" 2
397 1 28 CYS HA 1 41 LEU HG . . 5.500 5.375 4.842 5.523 0.023 18 0 "[ . 1 . 2]" 2
398 1 28 CYS HA 1 41 LEU MD1 . . 4.110 2.977 2.511 3.252 . 0 0 "[ . 1 . 2]" 2
399 1 48 HIS HA 1 51 GLU HB2 . . 4.370 2.756 2.397 3.150 . 0 0 "[ . 1 . 2]" 2
400 1 51 GLU HB2 1 52 PHE HB2 . . 5.040 4.460 4.216 4.747 . 0 0 "[ . 1 . 2]" 2
401 1 48 HIS HA 1 51 GLU HB3 . . 4.740 4.314 3.889 4.725 . 0 0 "[ . 1 . 2]" 2
402 1 51 GLU HB3 1 52 PHE HA . . 5.180 4.221 4.007 4.459 . 0 0 "[ . 1 . 2]" 2
403 1 34 LYS H 1 34 LYS QD . . 5.230 4.852 4.568 5.044 . 0 0 "[ . 1 . 2]" 2
404 1 44 HIS HA 1 47 ILE HG12 . . 4.910 4.403 4.190 4.616 . 0 0 "[ . 1 . 2]" 2
405 1 44 HIS HA 1 47 ILE HG13 . . 4.910 3.102 2.866 3.376 . 0 0 "[ . 1 . 2]" 2
406 1 51 GLU H 1 51 GLU HB3 . . 4.070 3.555 3.470 3.601 . 0 0 "[ . 1 . 2]" 2
407 1 29 LYS QD 1 30 HIS HA . . 4.920 4.206 2.966 4.958 0.038 19 0 "[ . 1 . 2]" 2
408 1 29 LYS HA 1 29 LYS QD . . 4.490 3.824 3.648 4.281 . 0 0 "[ . 1 . 2]" 2
409 1 41 LEU MD1 1 44 HIS HB3 . . 5.010 2.868 2.599 3.187 . 0 0 "[ . 1 . 2]" 2
410 1 35 LEU HG 1 44 HIS HB2 . . 4.450 3.684 3.580 3.806 . 0 0 "[ . 1 . 2]" 2
411 1 53 GLN QB 1 54 LYS QB . . 4.820 4.079 3.697 4.459 . 0 0 "[ . 1 . 2]" 2
412 1 53 GLN QB 1 56 ALA MB . . 5.070 4.519 3.908 4.937 . 0 0 "[ . 1 . 2]" 2
413 1 35 LEU H 1 35 LEU HG . . 4.540 4.376 4.293 4.450 . 0 0 "[ . 1 . 2]" 2
414 1 35 LEU HG 1 40 GLU HB2 . . 4.700 3.608 3.323 3.736 . 0 0 "[ . 1 . 2]" 2
415 1 35 LEU HG 1 41 LEU HA . . 4.390 4.378 4.307 4.430 0.040 8 0 "[ . 1 . 2]" 2
416 1 35 LEU HG 1 44 HIS HB3 . . 4.600 4.373 4.028 4.587 . 0 0 "[ . 1 . 2]" 2
417 1 35 LEU HG 1 40 GLU HB3 . . 4.810 2.556 2.387 2.720 . 0 0 "[ . 1 . 2]" 2
418 1 52 PHE HA 1 56 ALA H . . 5.500 4.139 3.303 5.259 . 0 0 "[ . 1 . 2]" 2
419 1 52 PHE HA 1 55 ARG QB . . 3.940 2.898 2.129 3.712 . 0 0 "[ . 1 . 2]" 2
420 1 35 LEU HG 1 41 LEU MD1 . . 4.880 4.220 4.129 4.309 . 0 0 "[ . 1 . 2]" 2
421 1 45 LEU HA 1 48 HIS HB3 . . 5.230 4.968 4.651 5.213 . 0 0 "[ . 1 . 2]" 2
422 1 41 LEU HA 1 41 LEU MD1 . . 3.840 2.015 1.957 2.138 . 0 0 "[ . 1 . 2]" 2
423 1 41 LEU HA 1 44 HIS H . . 4.390 3.206 3.050 3.394 . 0 0 "[ . 1 . 2]" 2
424 1 41 LEU HA 1 44 HIS HB3 . . 3.910 2.184 2.082 2.327 . 0 0 "[ . 1 . 2]" 2
425 1 41 LEU HA 1 44 HIS HB2 . . 4.270 3.434 3.094 3.870 . 0 0 "[ . 1 . 2]" 2
426 1 41 LEU HA 1 41 LEU HG . . 3.600 2.856 2.781 2.985 . 0 0 "[ . 1 . 2]" 2
427 1 54 LYS HA 1 54 LYS HG2 . . 4.070 2.943 2.167 3.761 . 0 0 "[ . 1 . 2]" 2
428 1 54 LYS HA 1 54 LYS HG3 . . 4.070 3.005 2.237 3.732 . 0 0 "[ . 1 . 2]" 2
429 1 42 THR HA 1 45 LEU HG . . 5.070 4.884 4.227 5.070 . 0 0 "[ . 1 . 2]" 2
430 1 55 ARG H 1 55 ARG HG2 . . 5.500 4.159 1.899 4.657 . 0 0 "[ . 1 . 2]" 2
431 1 55 ARG HG2 1 56 ALA H . . 5.480 4.459 3.228 5.029 . 0 0 "[ . 1 . 2]" 2
432 1 58 ARG HA 1 58 ARG QG . . 3.680 2.673 2.226 3.343 . 0 0 "[ . 1 . 2]" 2
433 1 55 ARG HG3 1 56 ALA H . . 5.480 4.403 3.366 5.223 . 0 0 "[ . 1 . 2]" 2
434 1 55 ARG HA 1 55 ARG HG3 . . 3.920 2.869 2.307 3.817 . 0 0 "[ . 1 . 2]" 2
435 1 53 GLN HA 1 56 ALA MB . . 3.600 3.233 2.785 3.600 . 0 0 "[ . 1 . 2]" 2
436 1 55 ARG HA 1 55 ARG HG2 . . 3.920 3.092 2.274 3.866 . 0 0 "[ . 1 . 2]" 2
437 1 44 HIS HD2 1 45 LEU HA . . 4.420 3.367 2.947 4.106 . 0 0 "[ . 1 . 2]" 2
438 1 45 LEU HA 1 48 HIS HD2 . . 3.610 2.700 2.251 2.966 . 0 0 "[ . 1 . 2]" 2
439 1 45 LEU HA 1 48 HIS HB2 . . 4.220 3.398 3.095 3.615 . 0 0 "[ . 1 . 2]" 2
440 1 45 LEU HA 1 45 LEU MD1 . . 4.210 3.821 3.797 3.841 . 0 0 "[ . 1 . 2]" 2
441 1 44 HIS HB3 1 45 LEU HG . . 5.100 3.964 3.641 4.162 . 0 0 "[ . 1 . 2]" 2
442 1 41 LEU MD1 1 45 LEU HG . . 4.140 2.757 2.325 3.369 . 0 0 "[ . 1 . 2]" 2
443 1 58 ARG QG 1 59 GLN H . . 5.320 3.206 1.769 4.619 . 0 0 "[ . 1 . 2]" 2
444 1 66 LEU H 1 66 LEU HG . . 5.500 3.492 2.251 4.810 . 0 0 "[ . 1 . 2]" 2
445 1 65 LEU HA 1 65 LEU HG . . 4.000 3.086 2.297 3.772 . 0 0 "[ . 1 . 2]" 2
446 1 8 LEU HA 1 8 LEU HG . . 4.260 3.361 2.302 4.251 . 0 0 "[ . 1 . 2]" 2
447 1 35 LEU MD2 1 41 LEU HG . . 4.300 3.700 3.595 3.840 . 0 0 "[ . 1 . 2]" 2
448 1 53 GLN HA 1 53 GLN HG3 . . 4.010 3.179 2.555 3.791 . 0 0 "[ . 1 . 2]" 2
449 1 15 LEU H 1 15 LEU HG . . 5.300 3.621 1.896 4.774 . 0 0 "[ . 1 . 2]" 2
450 1 29 LYS HA 1 29 LYS HG2 . . 4.250 3.820 3.532 4.236 . 0 0 "[ . 1 . 2]" 2
451 1 29 LYS HA 1 29 LYS HG3 . . 4.250 3.905 3.586 4.233 . 0 0 "[ . 1 . 2]" 2
452 1 58 ARG HA 1 58 ARG QD . . 4.290 3.517 1.998 4.360 0.070 16 0 "[ . 1 . 2]" 2
453 1 57 LYS HA 1 57 LYS QD . . 3.930 2.967 1.990 3.975 0.045 11 0 "[ . 1 . 2]" 2
454 1 57 LYS HA 1 57 LYS QE . . 4.840 3.700 1.962 4.551 . 0 0 "[ . 1 . 2]" 2
455 1 41 LEU HA 1 45 LEU MD1 . . 4.840 4.381 4.062 4.671 . 0 0 "[ . 1 . 2]" 2
456 1 45 LEU HB2 1 45 LEU MD1 . . 3.470 2.279 2.148 2.402 . 0 0 "[ . 1 . 2]" 2
457 1 45 LEU HB3 1 45 LEU MD1 . . 3.470 2.398 2.290 2.509 . 0 0 "[ . 1 . 2]" 2
458 1 64 GLN HA 1 64 GLN QG . . 3.540 3.021 2.315 3.446 . 0 0 "[ . 1 . 2]" 2
459 1 54 LYS H 1 54 LYS HG2 . . 4.980 3.857 2.349 4.618 . 0 0 "[ . 1 . 2]" 2
460 1 54 LYS HG2 1 55 ARG H . . 5.380 4.673 4.032 5.248 . 0 0 "[ . 1 . 2]" 2
461 1 33 SER HA 1 34 LYS HG2 . . 5.330 5.114 4.406 5.331 0.001 12 0 "[ . 1 . 2]" 2
462 1 8 LEU MD1 1 9 LYS QE . . 5.060 4.594 3.206 5.084 0.024 16 0 "[ . 1 . 2]" 2
463 1 10 ARG HA 1 10 ARG QD . . 4.570 3.685 2.257 4.556 . 0 0 "[ . 1 . 2]" 2
464 1 8 LEU HA 1 8 LEU MD1 . . 4.240 2.982 2.246 4.110 . 0 0 "[ . 1 . 2]" 2
465 1 28 CYS HA 1 45 LEU MD2 . . 4.910 4.565 4.219 4.863 . 0 0 "[ . 1 . 2]" 2
466 1 35 LEU H 1 35 LEU MD1 . . 3.380 2.576 2.395 2.691 . 0 0 "[ . 1 . 2]" 2
467 1 28 CYS H 1 35 LEU MD1 . . 4.170 3.701 3.338 4.089 . 0 0 "[ . 1 . 2]" 2
468 1 34 LYS H 1 35 LEU MD1 . . 4.740 2.957 2.902 3.026 . 0 0 "[ . 1 . 2]" 2
469 1 35 LEU MD1 1 44 HIS HD2 . . 4.200 3.680 3.269 3.954 . 0 0 "[ . 1 . 2]" 2
470 1 28 CYS HA 1 35 LEU MD1 . . 5.240 4.887 4.538 5.247 0.007 4 0 "[ . 1 . 2]" 2
471 1 35 LEU MD1 1 41 LEU HA . . 4.320 4.099 3.977 4.195 . 0 0 "[ . 1 . 2]" 2
472 1 35 LEU MD1 1 44 HIS HB3 . . 4.080 3.751 3.514 3.978 . 0 0 "[ . 1 . 2]" 2
473 1 33 SER HB2 1 35 LEU MD1 . . 4.230 3.723 2.793 4.140 . 0 0 "[ . 1 . 2]" 2
474 1 35 LEU MD1 1 44 HIS HB2 . . 3.800 3.521 3.370 3.680 . 0 0 "[ . 1 . 2]" 2
475 1 26 TYR HB3 1 35 LEU MD1 . . 4.930 4.517 4.344 4.693 . 0 0 "[ . 1 . 2]" 2
476 1 28 CYS HB2 1 35 LEU MD1 . . 3.830 3.122 2.809 3.509 . 0 0 "[ . 1 . 2]" 2
477 1 35 LEU MD1 1 40 GLU HB3 . . 4.230 4.137 4.007 4.236 0.006 10 0 "[ . 1 . 2]" 2
478 1 35 LEU MD1 1 40 GLU HB2 . . 4.850 4.797 4.533 4.859 0.009 10 0 "[ . 1 . 2]" 2
479 1 35 LEU HB2 1 35 LEU MD1 . . 3.510 2.380 2.304 2.485 . 0 0 "[ . 1 . 2]" 2
480 1 28 CYS HB2 1 45 LEU MD2 . . 5.420 4.967 4.464 5.270 . 0 0 "[ . 1 . 2]" 2
481 1 45 LEU H 1 45 LEU MD2 . . 4.420 3.777 3.587 3.918 . 0 0 "[ . 1 . 2]" 2
482 1 29 LYS H 1 45 LEU MD2 . . 4.970 4.418 3.957 4.894 . 0 0 "[ . 1 . 2]" 2
483 1 44 HIS HD2 1 45 LEU MD2 . . 3.960 3.457 3.118 3.773 . 0 0 "[ . 1 . 2]" 2
484 1 45 LEU MD2 1 48 HIS HD2 . . 3.290 2.196 1.969 2.459 . 0 0 "[ . 1 . 2]" 2
485 1 45 LEU HA 1 45 LEU MD2 . . 3.250 2.048 1.972 2.227 . 0 0 "[ . 1 . 2]" 2
486 1 45 LEU MD2 1 48 HIS HB2 . . 4.460 3.260 3.071 3.422 . 0 0 "[ . 1 . 2]" 2
487 1 45 LEU MD2 1 48 HIS HB3 . . 4.450 4.337 4.160 4.451 0.001 7 0 "[ . 1 . 2]" 2
488 1 41 LEU MD1 1 45 LEU MD2 . . 3.590 3.330 3.049 3.562 . 0 0 "[ . 1 . 2]" 2
489 1 39 ALA HA 1 42 THR MG . . 4.730 4.563 4.360 4.690 . 0 0 "[ . 1 . 2]" 2
490 1 38 THR MG 1 39 ALA HA . . 4.910 3.555 2.723 5.123 0.213 14 0 "[ . 1 . 2]" 2
491 1 14 ILE MG 1 15 LEU HA . . 4.420 3.693 3.275 4.291 . 0 0 "[ . 1 . 2]" 2
492 1 29 LYS H 1 29 LYS HG2 . . 5.270 3.154 2.477 3.623 . 0 0 "[ . 1 . 2]" 2
493 1 8 LEU HA 1 8 LEU MD2 . . 4.240 2.801 1.907 4.017 . 0 0 "[ . 1 . 2]" 2
494 1 8 LEU MD2 1 9 LYS QE . . 5.060 4.495 2.469 5.060 0.000 19 0 "[ . 1 . 2]" 2
495 1 35 LEU MD2 1 44 HIS HD2 . . 4.630 3.036 2.455 3.386 . 0 0 "[ . 1 . 2]" 2
496 1 28 CYS HB2 1 35 LEU MD2 . . 4.700 3.882 3.658 4.092 . 0 0 "[ . 1 . 2]" 2
497 1 35 LEU MD2 1 40 GLU HB2 . . 4.500 3.059 2.723 3.299 . 0 0 "[ . 1 . 2]" 2
498 1 35 LEU MD2 1 45 LEU H . . 4.240 3.933 3.750 4.243 0.003 14 0 "[ . 1 . 2]" 2
499 1 35 LEU MD2 1 44 HIS HB2 . . 3.900 2.219 2.018 2.493 . 0 0 "[ . 1 . 2]" 2
500 1 35 LEU MD2 1 40 GLU HB3 . . 4.040 2.371 2.064 2.660 . 0 0 "[ . 1 . 2]" 2
501 1 55 ARG QB 1 56 ALA HA . . 4.680 4.027 3.729 4.334 . 0 0 "[ . 1 . 2]" 2
502 1 35 LEU MD2 1 44 HIS HB3 . . 4.180 2.113 1.911 2.268 . 0 0 "[ . 1 . 2]" 2
503 1 35 LEU MD2 1 40 GLU H . . 5.110 4.198 4.022 4.316 . 0 0 "[ . 1 . 2]" 2
504 1 35 LEU MD2 1 41 LEU HA . . 3.920 1.869 1.829 1.909 . 0 0 "[ . 1 . 2]" 2
505 1 26 TYR QD 1 38 THR MG . . 4.800 4.535 3.550 4.875 0.075 7 0 "[ . 1 . 2]" 2
506 1 38 THR HA 1 38 THR MG . . 3.650 2.431 2.102 3.152 . 0 0 "[ . 1 . 2]" 2
507 1 42 THR MG 1 43 SER QB . . 4.890 4.391 3.957 4.845 . 0 0 "[ . 1 . 2]" 2
508 1 25 THR MG 1 36 GLN HA . . 4.310 2.964 2.114 3.728 . 0 0 "[ . 1 . 2]" 2
509 1 25 THR HA 1 25 THR MG . . 3.530 2.192 2.076 2.299 . 0 0 "[ . 1 . 2]" 2
510 1 25 THR MG 1 34 LYS HB3 . . 3.780 2.815 1.937 3.418 . 0 0 "[ . 1 . 2]" 2
511 1 25 THR MG 1 34 LYS QD . . 4.190 2.809 2.039 3.270 . 0 0 "[ . 1 . 2]" 2
512 1 42 THR HA 1 42 THR MG . . 3.360 2.388 2.230 2.470 . 0 0 "[ . 1 . 2]" 2
513 1 71 TYR HA 1 72 ALA MB . . 5.290 3.891 3.714 4.420 . 0 0 "[ . 1 . 2]" 2
514 1 72 ALA MB 1 73 ASP HA . . 5.500 3.921 3.698 4.224 . 0 0 "[ . 1 . 2]" 2
515 1 75 ALA MB 1 76 PHE HA . . 5.130 3.958 3.709 4.287 . 0 0 "[ . 1 . 2]" 2
516 1 76 PHE HA 1 77 ALA MB . . 5.500 3.848 3.705 4.131 . 0 0 "[ . 1 . 2]" 2
517 1 77 ALA MB 1 78 ASP HA . . 5.500 3.934 3.678 4.297 . 0 0 "[ . 1 . 2]" 2
518 1 55 ARG QB 1 56 ALA MB . . 4.320 4.012 3.649 4.346 0.026 12 0 "[ . 1 . 2]" 2
519 1 37 SER HB3 1 39 ALA MB . . 4.740 3.759 2.996 4.762 0.022 19 0 "[ . 1 . 2]" 2
520 1 39 ALA MB 1 40 GLU HB2 . . 4.630 4.268 4.136 4.474 . 0 0 "[ . 1 . 2]" 2
521 1 47 ILE HA 1 47 ILE MG . . 3.320 2.422 2.291 2.479 . 0 0 "[ . 1 . 2]" 2
522 1 47 ILE HG12 1 47 ILE MG . . 3.750 2.223 2.089 2.332 . 0 0 "[ . 1 . 2]" 2
523 1 47 ILE HG13 1 47 ILE MG . . 3.750 3.177 3.149 3.195 . 0 0 "[ . 1 . 2]" 2
524 1 47 ILE MG 1 48 HIS HA . . 4.740 3.436 3.309 3.634 . 0 0 "[ . 1 . 2]" 2
525 1 44 HIS HA 1 47 ILE MG . . 4.950 4.848 4.684 4.960 0.010 17 0 "[ . 1 . 2]" 2
526 1 47 ILE MG 1 50 GLU QB . . 5.350 4.396 3.540 5.215 . 0 0 "[ . 1 . 2]" 2
527 1 47 ILE MG 1 51 GLU HB2 . . 5.500 4.149 3.326 4.604 . 0 0 "[ . 1 . 2]" 2
528 1 71 TYR HA 1 71 TYR QD . . 3.840 3.331 2.679 3.737 . 0 0 "[ . 1 . 2]" 2
529 1 70 LYS QB 1 71 TYR QD . . 4.740 4.505 3.974 4.742 0.002 7 0 "[ . 1 . 2]" 2
530 1 26 TYR QD 1 38 THR HA . . 5.020 3.424 2.615 3.924 . 0 0 "[ . 1 . 2]" 2
531 1 26 TYR QD 1 41 LEU HB3 . . 5.210 4.093 3.689 4.464 . 0 0 "[ . 1 . 2]" 2
532 1 26 TYR QD 1 35 LEU HB2 . . 4.830 4.278 4.118 4.438 . 0 0 "[ . 1 . 2]" 2
533 1 25 THR MG 1 26 TYR QD . . 5.150 4.507 3.689 4.958 . 0 0 "[ . 1 . 2]" 2
534 1 26 TYR QD 1 35 LEU MD2 . . 4.660 4.610 4.458 4.686 0.026 20 0 "[ . 1 . 2]" 2
535 1 26 TYR QD 1 37 SER H . . 4.710 4.625 4.331 4.716 0.006 8 0 "[ . 1 . 2]" 2
536 1 26 TYR QD 1 37 SER HA . . 4.410 2.803 2.387 3.169 . 0 0 "[ . 1 . 2]" 2
537 1 25 THR HA 1 26 TYR QD . . 4.460 2.949 2.687 3.224 . 0 0 "[ . 1 . 2]" 2
538 1 26 TYR QD 1 41 LEU HB2 . . 4.900 3.289 2.991 3.636 . 0 0 "[ . 1 . 2]" 2
539 1 26 TYR QD 1 41 LEU MD1 . . 4.310 3.445 3.018 3.904 . 0 0 "[ . 1 . 2]" 2
540 1 11 ASP HA 1 12 PHE QD . . 4.280 3.478 2.615 4.367 0.087 11 0 "[ . 1 . 2]" 2
541 1 12 PHE QD 1 14 ILE MD . . 4.770 2.960 1.773 4.491 . 0 0 "[ . 1 . 2]" 2
542 1 52 PHE HA 1 52 PHE QD . . 3.820 2.675 2.179 3.086 . 0 0 "[ . 1 . 2]" 2
543 1 52 PHE QD 1 53 GLN HA . . 4.970 3.674 3.096 4.419 . 0 0 "[ . 1 . 2]" 2
544 1 52 PHE HA 1 52 PHE QE . . 4.630 4.498 4.248 4.624 . 0 0 "[ . 1 . 2]" 2
545 1 30 HIS HB2 1 48 HIS HD2 . . 4.590 2.850 2.626 3.063 . 0 0 "[ . 1 . 2]" 2
546 1 45 LEU MD1 1 48 HIS HD2 . . 4.960 4.854 4.668 4.973 0.013 18 0 "[ . 1 . 2]" 2
547 1 44 HIS HD2 1 45 LEU HG . . 5.010 3.385 2.827 4.073 . 0 0 "[ . 1 . 2]" 2
548 1 44 HIS HD2 1 45 LEU H . . 5.020 3.485 2.999 4.313 . 0 0 "[ . 1 . 2]" 2
549 1 44 HIS HD2 1 48 HIS HD2 . . 4.730 4.127 3.574 4.732 0.002 1 0 "[ . 1 . 2]" 2
550 1 41 LEU HA 1 44 HIS HD2 . . 4.910 3.921 3.179 4.397 . 0 0 "[ . 1 . 2]" 2
551 1 41 LEU MD1 1 44 HIS HD2 . . 4.630 2.691 2.059 3.326 . 0 0 "[ . 1 . 2]" 2
552 1 26 TYR QE 1 37 SER H . . 5.290 5.160 4.988 5.300 0.010 12 0 "[ . 1 . 2]" 2
553 1 26 TYR QE 1 37 SER HA . . 4.280 2.554 2.266 2.862 . 0 0 "[ . 1 . 2]" 2
554 1 26 TYR QE 1 38 THR MG . . 4.140 3.572 1.973 3.979 . 0 0 "[ . 1 . 2]" 2
555 1 30 HIS HB3 1 48 HIS HE1 . . 5.070 3.665 3.200 4.228 . 0 0 "[ . 1 . 2]" 2
556 1 30 HIS HB2 1 48 HIS HE1 . . 5.070 4.390 3.864 4.980 . 0 0 "[ . 1 . 2]" 2
557 1 31 CYS HB3 1 48 HIS HE1 . . 3.580 2.553 2.123 3.047 . 0 0 "[ . 1 . 2]" 2
558 1 31 CYS HB2 1 48 HIS HE1 . . 4.650 4.066 3.608 4.502 . 0 0 "[ . 1 . 2]" 2
559 1 44 HIS HE1 1 47 ILE MG . . 5.500 4.925 4.604 5.387 . 0 0 "[ . 1 . 2]" 2
560 1 29 LYS QD 1 30 HIS HE1 . . 4.640 3.327 2.235 4.660 0.020 4 0 "[ . 1 . 2]" 2
561 1 28 CYS HB3 1 35 LEU MD2 . . 5.500 5.315 5.123 5.523 0.023 18 0 "[ . 1 . 2]" 2
562 1 35 LEU MD1 1 44 HIS HE1 . . 5.060 4.112 3.806 4.535 . 0 0 "[ . 1 . 2]" 2
563 1 35 LEU MD1 1 41 LEU H . . 5.500 5.253 5.147 5.352 . 0 0 "[ . 1 . 2]" 2
564 1 41 LEU HG 1 44 HIS HB3 . . 5.270 4.153 3.896 4.449 . 0 0 "[ . 1 . 2]" 2
565 1 41 LEU MD1 1 44 HIS HB2 . . 5.230 4.087 3.796 4.423 . 0 0 "[ . 1 . 2]" 2
566 1 27 GLN HB2 1 34 LYS HG2 . . 5.500 4.500 3.725 5.423 . 0 0 "[ . 1 . 2]" 2
567 1 27 GLN HB3 1 34 LYS HG2 . . 5.500 5.427 5.229 5.513 0.013 14 0 "[ . 1 . 2]" 2
568 1 35 LEU HB3 1 41 LEU HB2 . . 5.360 4.113 3.917 4.245 . 0 0 "[ . 1 . 2]" 2
569 1 24 SER HB3 1 26 TYR QE . . 5.500 4.422 3.379 5.502 0.002 14 0 "[ . 1 . 2]" 2
570 1 24 SER HB2 1 26 TYR QE . . 5.500 4.986 3.455 5.513 0.013 20 0 "[ . 1 . 2]" 2
571 1 25 THR HA 1 34 LYS HB3 . . 5.500 5.140 4.301 5.512 0.012 18 0 "[ . 1 . 2]" 2
572 1 25 THR HA 1 34 LYS QD . . 5.500 5.327 4.623 5.501 0.001 12 0 "[ . 1 . 2]" 2
573 1 25 THR HA 1 26 TYR HB2 . . 5.340 4.451 4.356 4.548 . 0 0 "[ . 1 . 2]" 2
574 1 25 THR HB 1 35 LEU H . . 5.170 3.618 2.870 4.700 . 0 0 "[ . 1 . 2]" 2
575 1 25 THR MG 1 35 LEU H . . 5.220 3.808 2.381 4.688 . 0 0 "[ . 1 . 2]" 2
576 1 25 THR MG 1 36 GLN HG3 . . 5.500 4.911 3.881 5.493 . 0 0 "[ . 1 . 2]" 2
577 1 25 THR MG 1 36 GLN HG2 . . 5.500 4.967 4.035 5.541 0.041 18 0 "[ . 1 . 2]" 2
578 1 30 HIS HA 1 31 CYS HB3 . . 5.500 5.304 5.196 5.423 . 0 0 "[ . 1 . 2]" 2
579 1 31 CYS HA 1 32 ASP QB . . 5.300 3.874 3.841 3.953 . 0 0 "[ . 1 . 2]" 2
580 1 34 LYS HG2 1 35 LEU H . . 5.470 4.019 3.778 4.328 . 0 0 "[ . 1 . 2]" 2
581 1 34 LYS HG3 1 35 LEU H . . 5.480 5.074 4.943 5.286 . 0 0 "[ . 1 . 2]" 2
582 1 38 THR MG 1 41 LEU HB3 . . 5.010 3.144 2.721 4.633 . 0 0 "[ . 1 . 2]" 2
583 1 37 SER H 1 40 GLU HA . . 5.290 5.199 5.045 5.320 0.030 16 0 "[ . 1 . 2]" 2
584 1 47 ILE MD 1 48 HIS HE1 . . 5.500 5.443 5.282 5.508 0.008 5 0 "[ . 1 . 2]" 2
585 1 12 PHE QE 1 14 ILE HG13 . . 5.170 3.914 2.227 5.208 0.038 8 0 "[ . 1 . 2]" 2
586 1 12 PHE QE 1 14 ILE HG12 . . 5.170 4.334 2.677 5.199 0.029 11 0 "[ . 1 . 2]" 2
587 1 14 ILE H 1 14 ILE MD . . 5.300 3.191 1.919 4.310 . 0 0 "[ . 1 . 2]" 2
588 1 12 PHE HB3 1 13 ILE H . . 5.470 3.723 2.450 4.369 . 0 0 "[ . 1 . 2]" 2
589 1 12 PHE HB2 1 13 ILE H . . 5.470 2.943 2.119 4.543 . 0 0 "[ . 1 . 2]" 2
590 1 50 GLU HA 1 53 GLN QB . . 3.680 3.283 2.576 3.737 0.057 20 0 "[ . 1 . 2]" 2
591 1 31 CYS HA 1 48 HIS HE1 . . 5.270 4.760 4.415 5.260 . 0 0 "[ . 1 . 2]" 2
592 1 25 THR HA 1 36 GLN HA . . 4.280 3.359 3.078 3.821 . 0 0 "[ . 1 . 2]" 2
593 1 26 TYR HB2 1 41 LEU HB2 . . 5.180 3.899 3.506 4.237 . 0 0 "[ . 1 . 2]" 2
594 1 27 GLN HB2 1 28 CYS H . . 4.610 4.510 4.246 4.613 0.003 16 0 "[ . 1 . 2]" 2
595 1 27 GLN HE22 1 34 LYS HG3 . . 5.500 3.708 3.147 4.643 . 0 0 "[ . 1 . 2]" 2
596 1 28 CYS H 1 34 LYS HG3 . . 5.500 5.426 5.127 5.502 0.002 9 0 "[ . 1 . 2]" 2
597 1 32 ASP H 1 33 SER HA . . 5.290 5.161 5.080 5.234 . 0 0 "[ . 1 . 2]" 2
598 1 33 SER HA 1 35 LEU MD1 . . 4.930 4.569 4.397 4.705 . 0 0 "[ . 1 . 2]" 2
599 1 25 THR HB 1 34 LYS HB2 . . 5.270 4.756 4.082 5.288 0.018 20 0 "[ . 1 . 2]" 2
600 1 26 TYR QD 1 35 LEU MD1 . . 5.500 5.442 5.276 5.564 0.064 18 0 "[ . 1 . 2]" 2
601 1 29 LYS H 1 41 LEU MD1 . . 5.500 4.397 3.893 4.687 . 0 0 "[ . 1 . 2]" 2
602 1 8 LEU HA 1 8 LEU QD . . 2.860 2.296 1.888 2.974 0.114 11 0 "[ . 1 . 2]" 2
603 1 10 ARG QB 1 10 ARG QD . . 3.390 2.240 2.060 2.550 . 0 0 "[ . 1 . 2]" 2
604 1 11 ASP QB 1 12 PHE QD . . 4.300 3.721 1.934 4.300 . 0 0 "[ . 1 . 2]" 2
605 1 11 ASP QB 1 12 PHE QE . . 4.950 4.678 3.013 5.019 0.069 5 0 "[ . 1 . 2]" 2
606 1 12 PHE QD 1 14 ILE QG . . 4.910 2.921 2.030 3.833 . 0 0 "[ . 1 . 2]" 2
607 1 14 ILE H 1 14 ILE QG . . 4.010 2.896 1.917 3.781 . 0 0 "[ . 1 . 2]" 2
608 1 14 ILE HA 1 14 ILE QG . . 3.650 2.532 2.261 3.154 . 0 0 "[ . 1 . 2]" 2
609 1 14 ILE HA 1 15 LEU QB . . 4.850 4.298 4.055 4.786 . 0 0 "[ . 1 . 2]" 2
610 1 15 LEU H 1 15 LEU QB . . 3.510 2.615 2.224 3.199 . 0 0 "[ . 1 . 2]" 2
611 1 17 ASN QB 1 18 GLY H . . 4.020 3.015 2.148 3.986 . 0 0 "[ . 1 . 2]" 2
612 1 20 ARG QB 1 21 LEU QD . . 5.170 3.674 1.975 4.953 . 0 0 "[ . 1 . 2]" 2
613 1 20 ARG QD 1 21 LEU QD . . 4.690 4.422 3.676 4.697 0.007 12 0 "[ . 1 . 2]" 2
614 1 24 SER QB 1 26 TYR QE . . 4.690 3.995 3.309 4.711 0.021 18 0 "[ . 1 . 2]" 2
615 1 25 THR MG 1 36 GLN QG . . 4.690 4.271 3.793 4.704 0.014 16 0 "[ . 1 . 2]" 2
616 1 27 GLN QB 1 28 CYS H . . 4.030 3.819 3.291 4.023 . 0 0 "[ . 1 . 2]" 2
617 1 27 GLN QG 1 28 CYS H . . 4.320 3.897 2.997 4.333 0.013 18 0 "[ . 1 . 2]" 2
618 1 27 GLN QG 1 34 LYS HG2 . . 5.340 3.949 2.625 5.195 . 0 0 "[ . 1 . 2]" 2
619 1 27 GLN QE 1 28 CYS H . . 4.230 3.022 2.330 3.909 . 0 0 "[ . 1 . 2]" 2
620 1 27 GLN QE 1 28 CYS HB2 . . 5.260 4.737 4.293 5.247 . 0 0 "[ . 1 . 2]" 2
621 1 27 GLN QE 1 28 CYS HB3 . . 5.340 4.148 3.570 4.635 . 0 0 "[ . 1 . 2]" 2
622 1 27 GLN QE 1 33 SER H . . 4.600 3.260 2.610 3.914 . 0 0 "[ . 1 . 2]" 2
623 1 27 GLN QE 1 34 LYS HG2 . . 4.850 3.581 3.000 4.203 . 0 0 "[ . 1 . 2]" 2
624 1 28 CYS HB2 1 33 SER QB . . 4.260 2.948 2.552 3.990 . 0 0 "[ . 1 . 2]" 2
625 1 28 CYS HB3 1 33 SER QB . . 4.130 2.987 2.439 3.768 . 0 0 "[ . 1 . 2]" 2
626 1 29 LYS H 1 29 LYS QG . . 4.620 2.508 1.853 3.358 . 0 0 "[ . 1 . 2]" 2
627 1 29 LYS QB 1 30 HIS HA . . 5.230 4.611 4.223 4.782 . 0 0 "[ . 1 . 2]" 2
628 1 29 LYS QG 1 30 HIS QB . . 4.310 4.200 3.773 4.347 0.037 6 0 "[ . 1 . 2]" 2
629 1 29 LYS QG 1 30 HIS HE1 . . 5.220 3.914 2.496 5.225 0.005 9 0 "[ . 1 . 2]" 2
630 1 30 HIS H 1 30 HIS QB . . 3.430 2.370 2.190 2.560 . 0 0 "[ . 1 . 2]" 2
631 1 30 HIS QB 1 31 CYS H . . 3.560 2.634 2.464 2.767 . 0 0 "[ . 1 . 2]" 2
632 1 30 HIS QB 1 48 HIS HD2 . . 4.040 2.665 2.338 2.939 . 0 0 "[ . 1 . 2]" 2
633 1 30 HIS QB 1 48 HIS HE1 . . 4.390 3.480 3.054 4.010 . 0 0 "[ . 1 . 2]" 2
634 1 32 ASP H 1 33 SER QB . . 5.090 4.332 4.154 4.712 . 0 0 "[ . 1 . 2]" 2
635 1 33 SER H 1 33 SER QB . . 3.120 2.347 2.188 2.724 . 0 0 "[ . 1 . 2]" 2
636 1 33 SER QB 1 34 LYS H . . 3.450 2.585 1.910 2.899 . 0 0 "[ . 1 . 2]" 2
637 1 33 SER QB 1 35 LEU MD1 . . 3.720 2.597 2.375 2.802 . 0 0 "[ . 1 . 2]" 2
638 1 33 SER QB 1 35 LEU MD2 . . 4.550 4.308 4.109 4.570 0.020 20 0 "[ . 1 . 2]" 2
639 1 33 SER QB 1 44 HIS HE1 . . 4.060 3.544 3.094 4.062 0.002 18 0 "[ . 1 . 2]" 2
640 1 35 LEU HG 1 40 GLU QG . . 5.060 4.057 3.729 4.589 . 0 0 "[ . 1 . 2]" 2
641 1 35 LEU MD2 1 40 GLU QG . . 4.410 4.062 3.858 4.287 . 0 0 "[ . 1 . 2]" 2
642 1 36 GLN H 1 36 GLN QB . . 3.130 2.269 2.117 2.606 . 0 0 "[ . 1 . 2]" 2
643 1 36 GLN H 1 36 GLN QG . . 3.970 3.059 2.011 4.053 0.083 9 0 "[ . 1 . 2]" 2
644 1 36 GLN QB 1 37 SER H . . 4.230 2.320 2.082 3.347 . 0 0 "[ . 1 . 2]" 2
645 1 37 SER H 1 40 GLU QG . . 4.790 3.179 2.534 3.721 . 0 0 "[ . 1 . 2]" 2
646 1 37 SER QB 1 38 THR HB . . 4.830 4.065 3.771 4.640 . 0 0 "[ . 1 . 2]" 2
647 1 37 SER QB 1 40 GLU H . . 4.200 3.763 3.534 4.213 0.013 19 0 "[ . 1 . 2]" 2
648 1 37 SER QB 1 40 GLU HB2 . . 5.340 4.570 4.327 5.024 . 0 0 "[ . 1 . 2]" 2
649 1 37 SER QB 1 40 GLU QG . . 5.180 4.627 3.850 5.059 . 0 0 "[ . 1 . 2]" 2
650 1 39 ALA MB 1 40 GLU QG . . 4.420 3.496 2.979 4.189 . 0 0 "[ . 1 . 2]" 2
651 1 40 GLU H 1 40 GLU QG . . 3.720 3.002 2.484 3.600 . 0 0 "[ . 1 . 2]" 2
652 1 42 THR HA 1 45 LEU QB . . 3.780 3.341 3.133 3.586 . 0 0 "[ . 1 . 2]" 2
653 1 42 THR MG 1 46 ASN QD . . 3.690 3.016 2.699 3.328 . 0 0 "[ . 1 . 2]" 2
654 1 43 SER HA 1 46 ASN QB . . 3.740 2.990 2.691 3.433 . 0 0 "[ . 1 . 2]" 2
655 1 43 SER HA 1 46 ASN QD . . 3.630 2.447 1.847 3.335 . 0 0 "[ . 1 . 2]" 2
656 1 44 HIS HA 1 47 ILE QG . . 4.320 3.042 2.821 3.296 . 0 0 "[ . 1 . 2]" 2
657 1 45 LEU H 1 45 LEU QB . . 3.390 2.234 2.170 2.324 . 0 0 "[ . 1 . 2]" 2
658 1 46 ASN H 1 46 ASN QB . . 3.070 2.382 2.244 2.692 . 0 0 "[ . 1 . 2]" 2
659 1 46 ASN H 1 46 ASN QD . . 4.980 3.106 1.929 3.906 . 0 0 "[ . 1 . 2]" 2
660 1 46 ASN HA 1 49 ASN QD . . 3.920 2.602 1.883 3.707 . 0 0 "[ . 1 . 2]" 2
661 1 46 ASN QB 1 47 ILE H . . 3.730 2.634 2.467 2.727 . 0 0 "[ . 1 . 2]" 2
662 1 47 ILE H 1 47 ILE QG . . 3.270 1.986 1.904 2.061 . 0 0 "[ . 1 . 2]" 2
663 1 47 ILE HA 1 47 ILE QG . . 3.420 2.442 2.412 2.482 . 0 0 "[ . 1 . 2]" 2
664 1 47 ILE QG 1 47 ILE MG . . 3.190 2.182 2.061 2.278 . 0 0 "[ . 1 . 2]" 2
665 1 47 ILE MG 1 51 GLU QG . . 4.120 2.735 2.137 3.526 . 0 0 "[ . 1 . 2]" 2
666 1 49 ASN H 1 49 ASN QB . . 3.450 2.540 2.365 2.789 . 0 0 "[ . 1 . 2]" 2
667 1 49 ASN QB 1 49 ASN QD . . 3.080 2.160 2.066 2.279 . 0 0 "[ . 1 . 2]" 2
668 1 49 ASN QB 1 50 GLU H . . 3.890 2.376 2.017 3.031 . 0 0 "[ . 1 . 2]" 2
669 1 49 ASN QB 1 50 GLU HA . . 4.960 3.807 3.737 3.984 . 0 0 "[ . 1 . 2]" 2
670 1 49 ASN QB 1 50 GLU QG . . 4.510 3.918 2.972 4.556 0.046 5 0 "[ . 1 . 2]" 2
671 1 50 GLU HA 1 53 GLN QG . . 4.480 3.748 1.870 4.483 0.003 17 0 "[ . 1 . 2]" 2
672 1 51 GLU H 1 51 GLU QG . . 3.660 2.582 2.116 3.564 . 0 0 "[ . 1 . 2]" 2
673 1 51 GLU HA 1 51 GLU QG . . 3.710 2.552 2.180 2.849 . 0 0 "[ . 1 . 2]" 2
674 1 51 GLU QG 1 52 PHE H . . 4.540 4.212 4.010 4.550 0.010 2 0 "[ . 1 . 2]" 2
675 1 53 GLN H 1 53 GLN QG . . 4.050 2.811 1.880 4.033 . 0 0 "[ . 1 . 2]" 2
676 1 53 GLN HA 1 53 GLN QG . . 3.490 2.605 2.162 3.381 . 0 0 "[ . 1 . 2]" 2
677 1 54 LYS H 1 54 LYS QG . . 4.340 3.341 2.317 4.065 . 0 0 "[ . 1 . 2]" 2
678 1 54 LYS HA 1 54 LYS QG . . 3.400 2.426 2.131 2.800 . 0 0 "[ . 1 . 2]" 2
679 1 54 LYS HA 1 54 LYS QE . . 4.100 3.644 2.183 4.194 0.094 17 0 "[ . 1 . 2]" 2
680 1 54 LYS QB 1 54 LYS QE . . 4.170 3.160 2.196 3.791 . 0 0 "[ . 1 . 2]" 2
681 1 54 LYS QG 1 55 ARG H . . 4.700 4.084 3.317 4.592 . 0 0 "[ . 1 . 2]" 2
682 1 55 ARG H 1 55 ARG QG . . 4.620 3.503 1.884 4.065 . 0 0 "[ . 1 . 2]" 2
683 1 55 ARG QG 1 56 ALA H . . 4.780 3.875 3.140 4.348 . 0 0 "[ . 1 . 2]" 2
684 1 55 ARG QG 1 57 LYS H . . 5.340 4.142 1.890 5.393 0.053 7 0 "[ . 1 . 2]" 2
685 1 57 LYS HA 1 57 LYS QG . . 3.710 2.534 2.126 3.434 . 0 0 "[ . 1 . 2]" 2
686 1 57 LYS QG 1 58 ARG H . . 5.340 3.682 2.127 4.772 . 0 0 "[ . 1 . 2]" 2
687 1 59 GLN HA 1 59 GLN QG . . 3.740 2.749 2.188 3.393 . 0 0 "[ . 1 . 2]" 2
688 1 65 LEU QB 1 66 LEU H . . 3.560 2.740 2.019 3.572 0.012 15 0 "[ . 1 . 2]" 2
689 1 65 LEU QD 1 66 LEU H . . 5.430 3.293 1.967 4.398 . 0 0 "[ . 1 . 2]" 2
690 1 74 GLY QA 1 75 ALA MB . . 4.990 3.638 3.447 3.919 . 0 0 "[ . 1 . 2]" 2
691 1 79 PHE H 1 79 PHE QB . . 3.610 2.936 2.534 3.348 . 0 0 "[ . 1 . 2]" 2
692 1 80 LYS H 1 80 LYS QB . . 3.700 2.618 2.171 3.170 . 0 0 "[ . 1 . 2]" 2
693 1 80 LYS H 1 80 LYS QG . . 4.700 3.760 2.276 4.343 . 0 0 "[ . 1 . 2]" 2
694 1 80 LYS QE 1 81 GLN QB . . 4.600 4.433 3.568 4.675 0.075 20 0 "[ . 1 . 2]" 2
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