NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
549627 |
2lyx   |
18732 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lyx
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 1398
_Distance_constraint_stats_list.Viol_count 4461
_Distance_constraint_stats_list.Viol_total 11721.233
_Distance_constraint_stats_list.Viol_max 0.937
_Distance_constraint_stats_list.Viol_rms 0.0319
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0068
_Distance_constraint_stats_list.Viol_average_violations_only 0.0751
_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 2 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 3 GLU 0.360 0.109 27 0 "[ . 1 . 2 . 3 .]"
1 4 THR 1.644 0.462 8 0 "[ . 1 . 2 . 3 .]"
1 5 PRO 0.277 0.089 8 0 "[ . 1 . 2 . 3 .]"
1 6 LEU 9.546 0.462 8 0 "[ . 1 . 2 . 3 .]"
1 8 THR 10.953 0.429 20 0 "[ . 1 . 2 . 3 .]"
1 9 ALA 4.026 0.157 16 0 "[ . 1 . 2 . 3 .]"
1 10 ARG 5.570 0.809 28 4 "[ .- * * . 2 . + 3 .]"
1 11 HIS 7.192 0.809 28 4 "[ .- * * . 2 . + 3 .]"
1 12 MET 10.176 0.883 28 1 "[ . 1 . 2 . + 3 .]"
1 13 SER 4.291 0.883 28 2 "[ . 1 . 2 . + 3 -]"
1 14 LYS 8.038 0.566 33 1 "[ . 1 . 2 . 3 + .]"
1 15 TRP 13.899 0.107 23 0 "[ . 1 . 2 . 3 .]"
1 16 GLU 6.742 0.566 33 2 "[ . 1 . 2 . 3 + -]"
1 17 GLU 4.893 0.115 8 0 "[ . 1 . 2 . 3 .]"
1 18 ILE 7.379 0.099 30 0 "[ . 1 . 2 . 3 .]"
1 19 ALA 3.694 0.113 33 0 "[ . 1 . 2 . 3 .]"
1 20 VAL 10.706 0.121 7 0 "[ . 1 . 2 . 3 .]"
1 21 LYS 6.783 0.108 2 0 "[ . 1 . 2 . 3 .]"
1 22 GLU 9.108 0.331 28 0 "[ . 1 . 2 . 3 .]"
1 23 ALA 4.778 0.134 28 0 "[ . 1 . 2 . 3 .]"
1 24 LYS 8.444 0.103 22 0 "[ . 1 . 2 . 3 .]"
1 25 LYS 9.131 0.107 23 0 "[ . 1 . 2 . 3 .]"
1 26 ARG 9.399 0.861 8 1 "[ . + 1 . 2 . 3 .]"
1 27 TYR 16.279 0.861 8 1 "[ . + 1 . 2 . 3 .]"
1 28 PRO 7.061 0.089 6 0 "[ . 1 . 2 . 3 .]"
1 29 LEU 3.778 0.094 6 0 "[ . 1 . 2 . 3 .]"
1 30 ALA 3.897 0.217 14 0 "[ . 1 . 2 . 3 .]"
1 31 GLN 10.206 0.893 29 3 "[ . 1 . 2 . *+3 -]"
1 32 VAL 7.071 0.101 17 0 "[ . 1 . 2 . 3 .]"
1 33 LEU 8.054 0.127 31 0 "[ . 1 . 2 . 3 .]"
1 34 PHE 7.448 0.129 16 0 "[ . 1 . 2 . 3 .]"
1 35 LYS 5.454 0.127 6 0 "[ . 1 . 2 . 3 .]"
1 36 GLN 4.265 0.111 22 0 "[ . 1 . 2 . 3 .]"
1 37 LYS 0.887 0.086 10 0 "[ . 1 . 2 . 3 .]"
1 38 VAL 1.831 0.081 9 0 "[ . 1 . 2 . 3 .]"
1 39 TRP 4.407 0.937 21 2 "[ . 1 . -2+ . 3 .]"
1 40 ASP 1.103 0.246 21 0 "[ . 1 . 2 . 3 .]"
1 41 ARG 3.244 0.246 21 0 "[ . 1 . 2 . 3 .]"
1 42 LYS 11.338 0.396 32 0 "[ . 1 . 2 . 3 .]"
1 43 ARG 10.427 0.396 32 0 "[ . 1 . 2 . 3 .]"
1 44 LYS 2.366 0.705 5 1 "[ + 1 . 2 . 3 .]"
1 45 ASP 6.900 0.705 5 3 "[ + * 1 . -2 . 3 .]"
1 46 GLU 8.263 0.210 19 0 "[ . 1 . 2 . 3 .]"
1 47 ALA 7.055 0.121 5 0 "[ . 1 . 2 . 3 .]"
1 48 VAL 5.298 0.141 3 0 "[ . 1 . 2 . 3 .]"
1 49 LYS 2.345 0.104 23 0 "[ . 1 . 2 . 3 .]"
1 50 GLN 0.301 0.070 16 0 "[ . 1 . 2 . 3 .]"
1 51 TYR 5.705 0.117 35 0 "[ . 1 . 2 . 3 .]"
1 52 HIS 4.120 0.509 28 1 "[ . 1 . 2 . + 3 .]"
1 53 LEU 5.564 0.094 34 0 "[ . 1 . 2 . 3 .]"
1 54 THR 9.631 0.134 11 0 "[ . 1 . 2 . 3 .]"
1 55 LEU 8.772 0.465 29 0 "[ . 1 . 2 . 3 .]"
1 56 ARG 13.171 0.893 29 6 "[ . * 1 . 2 * . -+3* *]"
1 57 GLU 4.737 0.271 14 0 "[ . 1 . 2 . 3 .]"
1 58 GLY 5.115 0.105 26 0 "[ . 1 . 2 . 3 .]"
1 59 SER 2.633 0.079 8 0 "[ . 1 . 2 . 3 .]"
1 60 LYS 14.607 0.419 10 0 "[ . 1 . 2 . 3 .]"
1 61 GLU 19.899 0.752 23 14 "[ *- .* * * * * *2 *+ * *3* *.]"
1 62 PHE 29.032 0.628 22 14 "[ *- .* * * * * *2 +* * *3* *.]"
1 63 GLY 4.992 0.509 28 1 "[ . 1 . 2 . + 3 .]"
1 64 VAL 9.114 0.110 3 0 "[ . 1 . 2 . 3 .]"
1 65 PHE 7.909 0.095 16 0 "[ . 1 . 2 . 3 .]"
1 66 VAL 1.890 0.113 33 0 "[ . 1 . 2 . 3 .]"
1 67 THR 1.931 0.107 14 0 "[ . 1 . 2 . 3 .]"
1 68 ILE 8.893 0.111 3 0 "[ . 1 . 2 . 3 .]"
1 69 SER 5.223 0.107 29 0 "[ . 1 . 2 . 3 .]"
1 70 PHE 15.142 0.922 9 3 "[ . +1 . 2 * 3 - .]"
1 71 ASP 8.254 0.922 9 3 "[ . +1 . 2 * 3 - .]"
1 72 PRO 5.012 0.123 17 0 "[ . 1 . 2 . 3 .]"
1 73 TYR 7.121 0.610 8 2 "[ . + 1 . -2 . 3 .]"
1 74 SER 3.178 0.094 34 0 "[ . 1 . 2 . 3 .]"
1 75 GLN 7.405 0.295 9 0 "[ . 1 . 2 . 3 .]"
1 76 LYS 6.705 0.472 25 0 "[ . 1 . 2 . 3 .]"
1 77 VAL 8.125 0.097 2 0 "[ . 1 . 2 . 3 .]"
1 78 ASN 11.452 0.104 21 0 "[ . 1 . 2 . 3 .]"
1 79 LYS 5.461 0.107 29 0 "[ . 1 . 2 . 3 .]"
1 80 ILE 8.807 0.632 20 2 "[ . 1 . + . -3 .]"
1 81 ALA 2.008 0.137 29 0 "[ . 1 . 2 . 3 .]"
1 82 ILE 15.978 0.331 28 0 "[ . 1 . 2 . 3 .]"
1 83 LEU 3.351 0.093 10 0 "[ . 1 . 2 . 3 .]"
1 84 GLU 10.362 0.423 7 0 "[ . 1 . 2 . 3 .]"
1 85 GLU 7.869 0.420 7 0 "[ . 1 . 2 . 3 .]"
1 86 TYR 5.542 0.196 10 0 "[ . 1 . 2 . 3 .]"
1 87 GLN 8.246 0.196 10 0 "[ . 1 . 2 . 3 .]"
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 2 GLU H 1 3 GLU H . . 5.500 4.331 2.607 4.788 . 0 0 "[ . 1 . 2 . 3 .]" 1
2 1 3 GLU H 1 3 GLU QB . . 3.490 2.414 2.101 2.808 . 0 0 "[ . 1 . 2 . 3 .]" 1
3 1 3 GLU H 1 3 GLU QG . . 3.780 2.927 2.018 3.889 0.109 27 0 "[ . 1 . 2 . 3 .]" 1
4 1 3 GLU HA 1 3 GLU QG . . 3.500 2.508 2.142 3.458 . 0 0 "[ . 1 . 2 . 3 .]" 1
5 1 4 THR H 1 4 THR HB . . 4.170 3.660 3.451 3.878 . 0 0 "[ . 1 . 2 . 3 .]" 1
6 1 4 THR HA 1 5 PRO HD2 . . 3.410 2.626 2.363 2.883 . 0 0 "[ . 1 . 2 . 3 .]" 1
7 1 4 THR HA 1 5 PRO HD3 . . 3.430 2.416 2.178 2.646 . 0 0 "[ . 1 . 2 . 3 .]" 1
8 1 4 THR HB 1 5 PRO HD2 . . 4.740 2.396 2.048 2.800 . 0 0 "[ . 1 . 2 . 3 .]" 1
9 1 4 THR HB 1 5 PRO HD3 . . 4.700 3.711 3.472 4.039 . 0 0 "[ . 1 . 2 . 3 .]" 1
10 1 4 THR HB 1 6 LEU H . . 5.010 3.116 1.986 4.682 . 0 0 "[ . 1 . 2 . 3 .]" 1
11 1 4 THR HB 1 6 LEU HB2 . . 5.340 4.455 2.711 5.802 0.462 8 0 "[ . 1 . 2 . 3 .]" 1
12 1 4 THR MG 1 5 PRO HD2 . . 5.500 2.438 2.083 3.136 . 0 0 "[ . 1 . 2 . 3 .]" 1
13 1 4 THR MG 1 5 PRO HD3 . . 4.480 3.248 2.583 3.915 . 0 0 "[ . 1 . 2 . 3 .]" 1
14 1 4 THR MG 1 6 LEU QD . . 4.130 3.309 2.233 4.152 0.022 19 0 "[ . 1 . 2 . 3 .]" 1
15 1 4 THR MG 1 35 LYS H . . 4.440 3.069 2.033 4.527 0.087 22 0 "[ . 1 . 2 . 3 .]" 1
16 1 4 THR MG 1 35 LYS QB . . 3.840 2.809 2.075 3.865 0.025 24 0 "[ . 1 . 2 . 3 .]" 1
17 1 4 THR MG 1 35 LYS QG . . 2.410 2.278 2.003 2.537 0.127 6 0 "[ . 1 . 2 . 3 .]" 1
18 1 5 PRO HD2 1 6 LEU H . . 5.500 3.662 2.561 5.145 . 0 0 "[ . 1 . 2 . 3 .]" 1
19 1 5 PRO HD3 1 6 LEU H . . 5.180 4.433 3.788 5.269 0.089 8 0 "[ . 1 . 2 . 3 .]" 1
20 1 5 PRO QG 1 6 LEU QD . . 4.550 3.355 2.161 4.582 0.032 8 0 "[ . 1 . 2 . 3 .]" 1
21 1 6 LEU H 1 6 LEU HB2 . . 3.700 3.167 2.389 3.789 0.089 17 0 "[ . 1 . 2 . 3 .]" 1
22 1 6 LEU H 1 6 LEU HB3 . . 3.690 3.549 2.981 3.765 0.075 29 0 "[ . 1 . 2 . 3 .]" 1
23 1 6 LEU H 1 6 LEU HG . . 3.440 2.635 2.062 3.467 0.027 16 0 "[ . 1 . 2 . 3 .]" 1
24 1 6 LEU HA 1 6 LEU QD . . 3.950 2.899 2.115 3.484 . 0 0 "[ . 1 . 2 . 3 .]" 1
25 1 6 LEU HA 1 6 LEU HG . . 3.690 3.378 2.347 3.730 0.040 11 0 "[ . 1 . 2 . 3 .]" 1
26 1 6 LEU HA 1 8 THR H . . 3.160 3.077 2.381 3.276 0.116 29 0 "[ . 1 . 2 . 3 .]" 1
27 1 6 LEU HB2 1 8 THR H . . 4.220 3.943 2.512 4.649 0.429 20 0 "[ . 1 . 2 . 3 .]" 1
28 1 6 LEU HB3 1 8 THR H . . 4.570 4.061 2.868 4.652 0.082 1 0 "[ . 1 . 2 . 3 .]" 1
29 1 6 LEU QD 1 8 THR H . . 4.630 4.194 3.196 4.520 . 0 0 "[ . 1 . 2 . 3 .]" 1
30 1 8 THR H 1 8 THR MG . . 4.660 3.417 2.161 4.134 . 0 0 "[ . 1 . 2 . 3 .]" 1
31 1 8 THR HA 1 9 ALA H . . 3.050 2.516 2.139 3.133 0.083 30 0 "[ . 1 . 2 . 3 .]" 1
32 1 8 THR HA 1 9 ALA MB . . 5.440 4.271 3.848 4.820 . 0 0 "[ . 1 . 2 . 3 .]" 1
33 1 8 THR MG 1 9 ALA H . . 5.470 3.153 1.847 4.329 . 0 0 "[ . 1 . 2 . 3 .]" 1
34 1 8 THR MG 1 9 ALA MB . . 3.710 3.664 2.759 3.867 0.157 16 0 "[ . 1 . 2 . 3 .]" 1
35 1 8 THR MG 1 10 ARG H . . 5.500 4.801 2.632 5.600 0.100 35 0 "[ . 1 . 2 . 3 .]" 1
36 1 9 ALA H 1 9 ALA MB . . 3.350 2.543 2.128 3.014 . 0 0 "[ . 1 . 2 . 3 .]" 1
37 1 9 ALA H 1 10 ARG QG . . 5.330 4.478 2.715 5.433 0.103 8 0 "[ . 1 . 2 . 3 .]" 1
38 1 9 ALA HA 1 10 ARG H . . 3.060 2.424 2.153 3.135 0.075 11 0 "[ . 1 . 2 . 3 .]" 1
39 1 9 ALA MB 1 10 ARG H . . 4.500 3.159 1.855 3.776 . 0 0 "[ . 1 . 2 . 3 .]" 1
40 1 10 ARG H 1 10 ARG QB . . 3.510 2.639 2.019 2.983 . 0 0 "[ . 1 . 2 . 3 .]" 1
41 1 10 ARG H 1 10 ARG QD . . 5.500 4.435 2.745 5.228 . 0 0 "[ . 1 . 2 . 3 .]" 1
42 1 10 ARG H 1 10 ARG QG . . 4.850 3.149 1.958 4.341 . 0 0 "[ . 1 . 2 . 3 .]" 1
43 1 10 ARG HA 1 10 ARG QD . . 4.640 3.767 2.146 4.570 . 0 0 "[ . 1 . 2 . 3 .]" 1
44 1 10 ARG HA 1 10 ARG QG . . 3.860 2.671 2.180 3.414 . 0 0 "[ . 1 . 2 . 3 .]" 1
45 1 10 ARG HA 1 11 HIS HB3 . . 5.500 5.403 4.613 6.309 0.809 28 4 "[ .- * * . 2 . + 3 .]" 1
46 1 10 ARG QB 1 11 HIS HA . . 5.120 4.380 3.711 4.930 . 0 0 "[ . 1 . 2 . 3 .]" 1
47 1 11 HIS HA 1 11 HIS HD2 . . 3.760 3.107 2.242 3.852 0.092 27 0 "[ . 1 . 2 . 3 .]" 1
48 1 11 HIS HA 1 12 MET H . . 2.990 2.308 2.125 2.508 . 0 0 "[ . 1 . 2 . 3 .]" 1
49 1 11 HIS HA 1 12 MET HB2 . . 4.560 4.418 3.968 4.640 0.080 11 0 "[ . 1 . 2 . 3 .]" 1
50 1 11 HIS HB3 1 11 HIS HD2 . . 3.800 3.619 2.610 3.950 0.150 8 0 "[ . 1 . 2 . 3 .]" 1
51 1 12 MET H 1 12 MET ME . . 5.500 5.296 4.319 5.606 0.106 20 0 "[ . 1 . 2 . 3 .]" 1
52 1 12 MET H 1 12 MET HG2 . . 4.620 3.982 3.105 4.594 . 0 0 "[ . 1 . 2 . 3 .]" 1
53 1 12 MET H 1 12 MET HG3 . . 4.370 3.553 2.221 4.494 0.124 3 0 "[ . 1 . 2 . 3 .]" 1
54 1 12 MET HA 1 12 MET ME . . 4.890 3.997 2.131 4.586 . 0 0 "[ . 1 . 2 . 3 .]" 1
55 1 12 MET HA 1 12 MET HG2 . . 3.210 2.645 2.221 3.562 0.352 3 0 "[ . 1 . 2 . 3 .]" 1
56 1 12 MET HA 1 13 SER H . . 2.880 2.443 2.126 2.946 0.066 34 0 "[ . 1 . 2 . 3 .]" 1
57 1 12 MET HB2 1 12 MET ME . . 3.810 3.566 2.643 3.930 0.120 34 0 "[ . 1 . 2 . 3 .]" 1
58 1 12 MET HB2 1 13 SER H . . 5.110 3.774 2.884 4.552 . 0 0 "[ . 1 . 2 . 3 .]" 1
59 1 12 MET HB3 1 13 SER H . . 4.660 2.709 1.911 4.432 . 0 0 "[ . 1 . 2 . 3 .]" 1
60 1 12 MET ME 1 16 GLU QB . . 3.060 2.258 1.982 3.071 0.011 9 0 "[ . 1 . 2 . 3 .]" 1
61 1 12 MET ME 1 17 GLU H . . 4.600 4.058 2.992 4.696 0.096 22 0 "[ . 1 . 2 . 3 .]" 1
62 1 12 MET ME 1 20 VAL H . . 5.240 5.178 4.285 5.360 0.120 35 0 "[ . 1 . 2 . 3 .]" 1
63 1 12 MET ME 1 20 VAL MG2 . . 3.390 2.933 2.154 3.482 0.092 8 0 "[ . 1 . 2 . 3 .]" 1
64 1 12 MET ME 1 35 LYS QB . . 3.670 3.377 2.003 3.795 0.125 30 0 "[ . 1 . 2 . 3 .]" 1
65 1 12 MET ME 1 35 LYS QD . . 4.280 2.579 1.997 4.360 0.080 20 0 "[ . 1 . 2 . 3 .]" 1
66 1 12 MET ME 1 35 LYS QG . . 4.490 3.929 2.277 4.550 0.060 5 0 "[ . 1 . 2 . 3 .]" 1
67 1 12 MET HG2 1 13 SER H . . 4.200 3.893 2.425 5.083 0.883 28 1 "[ . 1 . 2 . + 3 .]" 1
68 1 13 SER H 1 13 SER HB2 . . 3.580 2.343 1.996 3.064 . 0 0 "[ . 1 . 2 . 3 .]" 1
69 1 13 SER H 1 13 SER HB3 . . 3.880 2.963 2.518 3.622 . 0 0 "[ . 1 . 2 . 3 .]" 1
70 1 13 SER H 1 15 TRP H . . 5.500 5.246 4.883 5.568 0.068 19 0 "[ . 1 . 2 . 3 .]" 1
71 1 13 SER H 1 16 GLU H . . 5.090 3.972 3.335 4.496 . 0 0 "[ . 1 . 2 . 3 .]" 1
72 1 13 SER H 1 16 GLU QB . . 4.620 2.617 1.912 3.348 . 0 0 "[ . 1 . 2 . 3 .]" 1
73 1 13 SER H 1 16 GLU QG . . 4.700 2.272 1.574 3.182 . 0 0 "[ . 1 . 2 . 3 .]" 1
74 1 13 SER H 1 16 GLU HG3 . . 3.440 2.637 1.615 3.958 0.518 35 1 "[ . 1 . 2 . 3 +]" 1
75 1 13 SER H 1 17 GLU H . . 5.500 5.258 3.999 5.580 0.080 10 0 "[ . 1 . 2 . 3 .]" 1
76 1 13 SER HA 1 14 LYS H . . 3.190 2.493 2.332 2.890 . 0 0 "[ . 1 . 2 . 3 .]" 1
77 1 13 SER HA 1 14 LYS QB . . 5.020 4.301 4.186 4.422 . 0 0 "[ . 1 . 2 . 3 .]" 1
78 1 13 SER HA 1 16 GLU QB . . 5.000 4.524 3.834 4.904 . 0 0 "[ . 1 . 2 . 3 .]" 1
79 1 13 SER HB2 1 14 LYS H . . 4.380 3.880 3.259 4.328 . 0 0 "[ . 1 . 2 . 3 .]" 1
80 1 13 SER HB2 1 15 TRP H . . 5.260 4.493 3.492 5.057 . 0 0 "[ . 1 . 2 . 3 .]" 1
81 1 13 SER HB2 1 16 GLU H . . 5.190 4.174 2.754 4.708 . 0 0 "[ . 1 . 2 . 3 .]" 1
82 1 13 SER HB2 1 16 GLU QB . . 4.960 3.411 2.000 4.036 . 0 0 "[ . 1 . 2 . 3 .]" 1
83 1 13 SER HB2 1 16 GLU QG . . 4.510 2.903 1.990 4.365 . 0 0 "[ . 1 . 2 . 3 .]" 1
84 1 13 SER HB3 1 14 LYS H . . 3.740 2.934 2.220 3.474 . 0 0 "[ . 1 . 2 . 3 .]" 1
85 1 13 SER HB3 1 15 TRP H . . 4.470 2.927 2.459 3.638 . 0 0 "[ . 1 . 2 . 3 .]" 1
86 1 13 SER HB3 1 16 GLU H . . 4.870 2.953 2.387 3.969 . 0 0 "[ . 1 . 2 . 3 .]" 1
87 1 13 SER HB3 1 16 GLU QB . . 5.200 3.090 2.124 4.056 . 0 0 "[ . 1 . 2 . 3 .]" 1
88 1 13 SER HB3 1 16 GLU QG . . 4.790 2.849 1.999 4.464 . 0 0 "[ . 1 . 2 . 3 .]" 1
89 1 14 LYS H 1 14 LYS QB . . 3.580 2.257 2.171 2.375 . 0 0 "[ . 1 . 2 . 3 .]" 1
90 1 14 LYS H 1 14 LYS HG2 . . 4.910 4.620 4.505 4.704 . 0 0 "[ . 1 . 2 . 3 .]" 1
91 1 14 LYS H 1 14 LYS HG3 . . 4.610 4.510 4.431 4.593 . 0 0 "[ . 1 . 2 . 3 .]" 1
92 1 14 LYS H 1 15 TRP H . . 3.800 2.798 2.093 3.211 . 0 0 "[ . 1 . 2 . 3 .]" 1
93 1 14 LYS H 1 15 TRP HB2 . . 5.500 5.124 4.295 5.558 0.058 5 0 "[ . 1 . 2 . 3 .]" 1
94 1 14 LYS H 1 15 TRP HD1 . . 5.500 4.387 3.850 4.937 . 0 0 "[ . 1 . 2 . 3 .]" 1
95 1 14 LYS H 1 16 GLU H . . 5.500 4.140 3.577 4.479 . 0 0 "[ . 1 . 2 . 3 .]" 1
96 1 14 LYS H 1 16 GLU HG3 . . 5.270 5.324 4.473 5.836 0.566 33 1 "[ . 1 . 2 . 3 + .]" 1
97 1 14 LYS HA 1 14 LYS QE . . 5.300 3.513 1.991 4.200 . 0 0 "[ . 1 . 2 . 3 .]" 1
98 1 14 LYS HA 1 14 LYS HG2 . . 3.850 3.853 3.785 3.920 0.070 11 0 "[ . 1 . 2 . 3 .]" 1
99 1 14 LYS HA 1 14 LYS HG3 . . 3.850 3.115 2.773 3.348 . 0 0 "[ . 1 . 2 . 3 .]" 1
100 1 14 LYS HA 1 16 GLU H . . 4.500 4.253 3.857 4.544 0.044 26 0 "[ . 1 . 2 . 3 .]" 1
101 1 14 LYS HA 1 18 ILE MD . . 5.140 4.937 4.497 5.227 0.087 13 0 "[ . 1 . 2 . 3 .]" 1
102 1 14 LYS QB 1 15 TRP H . . 3.670 2.519 2.038 2.733 . 0 0 "[ . 1 . 2 . 3 .]" 1
103 1 14 LYS QB 1 15 TRP HA . . 4.640 4.261 3.952 4.470 . 0 0 "[ . 1 . 2 . 3 .]" 1
104 1 14 LYS QB 1 15 TRP HD1 . . 4.330 2.949 2.428 3.476 . 0 0 "[ . 1 . 2 . 3 .]" 1
105 1 14 LYS QB 1 15 TRP HE1 . . 4.690 3.437 3.003 3.966 . 0 0 "[ . 1 . 2 . 3 .]" 1
106 1 14 LYS QB 1 16 GLU H . . 5.500 4.621 4.407 4.780 . 0 0 "[ . 1 . 2 . 3 .]" 1
107 1 14 LYS QB 1 18 ILE MD . . 5.300 4.851 4.358 5.077 . 0 0 "[ . 1 . 2 . 3 .]" 1
108 1 14 LYS QB 1 75 GLN QG . . 4.430 3.780 3.138 4.104 . 0 0 "[ . 1 . 2 . 3 .]" 1
109 1 14 LYS QE 1 15 TRP HH2 . . 5.270 4.736 3.773 5.174 . 0 0 "[ . 1 . 2 . 3 .]" 1
110 1 14 LYS QE 1 15 TRP HZ2 . . 5.460 4.800 3.389 5.348 . 0 0 "[ . 1 . 2 . 3 .]" 1
111 1 14 LYS QE 1 18 ILE MD . . 4.020 3.328 2.224 3.803 . 0 0 "[ . 1 . 2 . 3 .]" 1
112 1 14 LYS HG2 1 15 TRP H . . 4.520 4.489 3.925 4.601 0.081 14 0 "[ . 1 . 2 . 3 .]" 1
113 1 14 LYS HG2 1 15 TRP HA . . 5.130 5.129 4.593 5.212 0.082 2 0 "[ . 1 . 2 . 3 .]" 1
114 1 14 LYS HG2 1 15 TRP HD1 . . 5.370 4.428 3.531 5.335 . 0 0 "[ . 1 . 2 . 3 .]" 1
115 1 14 LYS HG3 1 15 TRP H . . 4.390 3.708 3.229 4.079 . 0 0 "[ . 1 . 2 . 3 .]" 1
116 1 14 LYS HG3 1 15 TRP HA . . 4.940 3.646 3.332 4.013 . 0 0 "[ . 1 . 2 . 3 .]" 1
117 1 14 LYS HG3 1 15 TRP HD1 . . 5.080 4.438 3.701 5.148 0.068 22 0 "[ . 1 . 2 . 3 .]" 1
118 1 14 LYS HG3 1 15 TRP HE1 . . 5.500 4.248 3.564 5.200 . 0 0 "[ . 1 . 2 . 3 .]" 1
119 1 14 LYS HG3 1 15 TRP HE3 . . 5.280 4.481 3.808 4.861 . 0 0 "[ . 1 . 2 . 3 .]" 1
120 1 14 LYS HG3 1 15 TRP HZ2 . . 5.410 4.558 4.081 5.349 . 0 0 "[ . 1 . 2 . 3 .]" 1
121 1 14 LYS HG3 1 15 TRP HZ3 . . 5.500 5.117 4.309 5.572 0.072 26 0 "[ . 1 . 2 . 3 .]" 1
122 1 14 LYS HG3 1 18 ILE MD . . 4.110 3.524 2.961 3.911 . 0 0 "[ . 1 . 2 . 3 .]" 1
123 1 15 TRP H 1 15 TRP HB2 . . 3.300 2.508 2.371 2.694 . 0 0 "[ . 1 . 2 . 3 .]" 1
124 1 15 TRP H 1 15 TRP HD1 . . 3.420 2.832 2.382 3.197 . 0 0 "[ . 1 . 2 . 3 .]" 1
125 1 15 TRP H 1 15 TRP HE1 . . 5.220 4.759 4.259 5.251 0.031 32 0 "[ . 1 . 2 . 3 .]" 1
126 1 15 TRP H 1 16 GLU H . . 3.510 2.612 2.370 2.907 . 0 0 "[ . 1 . 2 . 3 .]" 1
127 1 15 TRP H 1 17 GLU H . . 5.350 5.093 4.590 5.420 0.070 35 0 "[ . 1 . 2 . 3 .]" 1
128 1 15 TRP H 1 18 ILE MD . . 5.500 4.612 4.204 4.904 . 0 0 "[ . 1 . 2 . 3 .]" 1
129 1 15 TRP HA 1 15 TRP HD1 . . 4.480 4.433 4.222 4.545 0.065 15 0 "[ . 1 . 2 . 3 .]" 1
130 1 15 TRP HA 1 15 TRP HE3 . . 3.100 2.818 2.344 3.167 0.067 21 0 "[ . 1 . 2 . 3 .]" 1
131 1 15 TRP HA 1 17 GLU H . . 5.500 4.314 3.225 4.846 . 0 0 "[ . 1 . 2 . 3 .]" 1
132 1 15 TRP HA 1 17 GLU QB . . 5.220 5.167 4.736 5.326 0.106 11 0 "[ . 1 . 2 . 3 .]" 1
133 1 15 TRP HA 1 18 ILE H . . 4.090 3.440 2.802 3.821 . 0 0 "[ . 1 . 2 . 3 .]" 1
134 1 15 TRP HA 1 18 ILE HB . . 3.630 2.828 2.406 3.156 . 0 0 "[ . 1 . 2 . 3 .]" 1
135 1 15 TRP HA 1 18 ILE MD . . 3.390 2.184 2.015 2.573 . 0 0 "[ . 1 . 2 . 3 .]" 1
136 1 15 TRP HA 1 18 ILE HG12 . . 4.910 4.697 4.137 4.979 0.069 15 0 "[ . 1 . 2 . 3 .]" 1
137 1 15 TRP HA 1 18 ILE MG . . 4.310 4.140 3.773 4.400 0.090 3 0 "[ . 1 . 2 . 3 .]" 1
138 1 15 TRP HA 1 19 ALA H . . 4.760 4.249 3.965 4.637 . 0 0 "[ . 1 . 2 . 3 .]" 1
139 1 15 TRP HA 1 51 TYR QE . . 4.940 4.699 4.167 5.038 0.098 14 0 "[ . 1 . 2 . 3 .]" 1
140 1 15 TRP HA 1 68 ILE MD . . 3.840 3.669 3.287 3.907 0.067 13 0 "[ . 1 . 2 . 3 .]" 1
141 1 15 TRP HA 1 68 ILE MG . . 4.480 4.395 3.974 4.587 0.107 23 0 "[ . 1 . 2 . 3 .]" 1
142 1 15 TRP HB2 1 15 TRP HD1 . . 3.200 2.600 2.507 2.733 . 0 0 "[ . 1 . 2 . 3 .]" 1
143 1 15 TRP HB2 1 15 TRP HE1 . . 4.850 4.779 4.707 4.860 0.010 31 0 "[ . 1 . 2 . 3 .]" 1
144 1 15 TRP HB2 1 16 GLU H . . 4.130 3.730 3.362 3.941 . 0 0 "[ . 1 . 2 . 3 .]" 1
145 1 15 TRP HB2 1 18 ILE MD . . 5.300 4.705 4.338 5.090 . 0 0 "[ . 1 . 2 . 3 .]" 1
146 1 15 TRP HB2 1 51 TYR QD . . 5.120 4.564 3.941 5.122 0.002 35 0 "[ . 1 . 2 . 3 .]" 1
147 1 15 TRP HB2 1 51 TYR QE . . 3.540 2.554 2.081 3.427 . 0 0 "[ . 1 . 2 . 3 .]" 1
148 1 15 TRP HB2 1 68 ILE MD . . 3.580 3.484 2.817 3.671 0.091 31 0 "[ . 1 . 2 . 3 .]" 1
149 1 15 TRP HB2 1 68 ILE MG . . 5.190 4.142 3.458 4.910 . 0 0 "[ . 1 . 2 . 3 .]" 1
150 1 15 TRP HD1 1 49 LYS QD . . 4.050 2.679 2.008 4.116 0.066 10 0 "[ . 1 . 2 . 3 .]" 1
151 1 15 TRP HD1 1 49 LYS QE . . 3.690 2.681 1.986 3.665 . 0 0 "[ . 1 . 2 . 3 .]" 1
152 1 15 TRP HD1 1 70 PHE HE1 . . 4.980 4.394 3.768 5.031 0.051 26 0 "[ . 1 . 2 . 3 .]" 1
153 1 15 TRP HE1 1 49 LYS QE . . 4.470 4.108 2.911 4.422 . 0 0 "[ . 1 . 2 . 3 .]" 1
154 1 15 TRP HE1 1 70 PHE HE1 . . 5.280 4.144 3.720 4.780 . 0 0 "[ . 1 . 2 . 3 .]" 1
155 1 15 TRP HE1 1 70 PHE HE2 . . 5.500 3.052 2.662 3.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
156 1 15 TRP HE1 1 70 PHE HZ . . 5.240 3.299 2.829 3.893 . 0 0 "[ . 1 . 2 . 3 .]" 1
157 1 15 TRP HE1 1 75 GLN HE21 . . 5.500 4.746 3.779 5.554 0.054 22 0 "[ . 1 . 2 . 3 .]" 1
158 1 15 TRP HE1 1 75 GLN HE22 . . 5.500 5.523 4.522 5.584 0.084 23 0 "[ . 1 . 2 . 3 .]" 1
159 1 15 TRP HE1 1 75 GLN QG . . 5.480 2.723 2.200 4.238 . 0 0 "[ . 1 . 2 . 3 .]" 1
160 1 15 TRP HE3 1 18 ILE H . . 5.500 5.138 4.679 5.534 0.034 19 0 "[ . 1 . 2 . 3 .]" 1
161 1 15 TRP HE3 1 18 ILE HB . . 3.990 3.119 2.705 3.638 . 0 0 "[ . 1 . 2 . 3 .]" 1
162 1 15 TRP HE3 1 18 ILE MD . . 3.460 2.131 1.977 2.355 . 0 0 "[ . 1 . 2 . 3 .]" 1
163 1 15 TRP HE3 1 18 ILE HG12 . . 5.500 4.608 3.357 5.053 . 0 0 "[ . 1 . 2 . 3 .]" 1
164 1 15 TRP HE3 1 18 ILE HG13 . . 4.800 4.458 4.234 4.623 . 0 0 "[ . 1 . 2 . 3 .]" 1
165 1 15 TRP HE3 1 18 ILE MG . . 4.170 2.957 2.429 3.626 . 0 0 "[ . 1 . 2 . 3 .]" 1
166 1 15 TRP HE3 1 68 ILE MD . . 3.670 2.790 2.394 3.370 . 0 0 "[ . 1 . 2 . 3 .]" 1
167 1 15 TRP HE3 1 68 ILE MG . . 3.560 2.536 2.186 2.844 . 0 0 "[ . 1 . 2 . 3 .]" 1
168 1 15 TRP HE3 1 77 VAL QG . . 4.230 3.865 3.571 4.171 . 0 0 "[ . 1 . 2 . 3 .]" 1
169 1 15 TRP HH2 1 18 ILE MD . . 4.670 4.373 4.000 4.759 0.089 1 0 "[ . 1 . 2 . 3 .]" 1
170 1 15 TRP HH2 1 70 PHE HA . . 5.160 4.875 4.289 5.215 0.055 10 0 "[ . 1 . 2 . 3 .]" 1
171 1 15 TRP HH2 1 70 PHE HB3 . . 4.750 3.558 2.558 4.127 . 0 0 "[ . 1 . 2 . 3 .]" 1
172 1 15 TRP HH2 1 75 GLN HA . . 4.450 3.896 3.305 4.295 . 0 0 "[ . 1 . 2 . 3 .]" 1
173 1 15 TRP HH2 1 75 GLN HB2 . . 5.290 4.662 3.516 5.245 . 0 0 "[ . 1 . 2 . 3 .]" 1
174 1 15 TRP HH2 1 75 GLN HB3 . . 4.000 2.991 1.987 3.646 . 0 0 "[ . 1 . 2 . 3 .]" 1
175 1 15 TRP HH2 1 75 GLN QG . . 4.670 3.948 3.694 4.150 . 0 0 "[ . 1 . 2 . 3 .]" 1
176 1 15 TRP HH2 1 77 VAL H . . 5.290 3.582 2.816 4.313 . 0 0 "[ . 1 . 2 . 3 .]" 1
177 1 15 TRP HH2 1 77 VAL HA . . 5.220 3.521 2.929 4.058 . 0 0 "[ . 1 . 2 . 3 .]" 1
178 1 15 TRP HH2 1 77 VAL QG . . 3.670 2.523 2.077 3.095 . 0 0 "[ . 1 . 2 . 3 .]" 1
179 1 15 TRP HZ2 1 18 ILE MD . . 5.500 5.312 4.825 5.586 0.086 7 0 "[ . 1 . 2 . 3 .]" 1
180 1 15 TRP HZ2 1 75 GLN H . . 5.500 4.852 4.511 5.164 . 0 0 "[ . 1 . 2 . 3 .]" 1
181 1 15 TRP HZ2 1 75 GLN HA . . 4.390 2.770 2.316 3.253 . 0 0 "[ . 1 . 2 . 3 .]" 1
182 1 15 TRP HZ2 1 75 GLN HB2 . . 5.130 3.831 3.663 4.181 . 0 0 "[ . 1 . 2 . 3 .]" 1
183 1 15 TRP HZ2 1 75 GLN HB3 . . 5.170 2.359 2.126 2.971 . 0 0 "[ . 1 . 2 . 3 .]" 1
184 1 15 TRP HZ2 1 75 GLN QG . . 3.690 2.096 1.992 2.668 . 0 0 "[ . 1 . 2 . 3 .]" 1
185 1 15 TRP HZ2 1 77 VAL QG . . 5.230 4.365 3.927 4.729 . 0 0 "[ . 1 . 2 . 3 .]" 1
186 1 15 TRP HZ3 1 18 ILE MD . . 3.770 2.613 2.153 3.177 . 0 0 "[ . 1 . 2 . 3 .]" 1
187 1 15 TRP HZ3 1 68 ILE MG . . 3.570 3.415 2.643 3.670 0.100 12 0 "[ . 1 . 2 . 3 .]" 1
188 1 15 TRP HZ3 1 70 PHE HB3 . . 5.500 4.337 3.386 4.863 . 0 0 "[ . 1 . 2 . 3 .]" 1
189 1 15 TRP HZ3 1 77 VAL H . . 5.340 4.825 4.040 5.424 0.084 5 0 "[ . 1 . 2 . 3 .]" 1
190 1 15 TRP HZ3 1 77 VAL HA . . 5.130 4.400 3.744 4.776 . 0 0 "[ . 1 . 2 . 3 .]" 1
191 1 15 TRP HZ3 1 77 VAL HB . . 5.260 3.704 2.187 5.288 0.028 2 0 "[ . 1 . 2 . 3 .]" 1
192 1 15 TRP HZ3 1 77 VAL QG . . 3.020 2.273 1.995 2.508 . 0 0 "[ . 1 . 2 . 3 .]" 1
193 1 16 GLU H 1 16 GLU QB . . 3.650 2.242 1.969 2.608 . 0 0 "[ . 1 . 2 . 3 .]" 1
194 1 16 GLU H 1 16 GLU QG . . 3.830 2.803 1.901 3.358 . 0 0 "[ . 1 . 2 . 3 .]" 1
195 1 16 GLU H 1 17 GLU H . . 3.390 2.773 2.490 3.033 . 0 0 "[ . 1 . 2 . 3 .]" 1
196 1 16 GLU H 1 51 TYR QE . . 4.940 3.952 2.756 4.829 . 0 0 "[ . 1 . 2 . 3 .]" 1
197 1 16 GLU HA 1 16 GLU QG . . 3.520 2.738 2.105 3.556 0.036 14 0 "[ . 1 . 2 . 3 .]" 1
198 1 16 GLU HA 1 18 ILE H . . 5.070 4.456 3.876 5.078 0.008 1 0 "[ . 1 . 2 . 3 .]" 1
199 1 16 GLU HA 1 19 ALA H . . 4.130 3.661 3.337 4.180 0.050 11 0 "[ . 1 . 2 . 3 .]" 1
200 1 16 GLU HA 1 19 ALA MB . . 3.350 2.935 2.607 3.428 0.078 11 0 "[ . 1 . 2 . 3 .]" 1
201 1 16 GLU HA 1 20 VAL H . . 4.880 4.287 3.746 4.940 0.060 30 0 "[ . 1 . 2 . 3 .]" 1
202 1 16 GLU HA 1 20 VAL MG2 . . 5.500 3.904 3.004 4.439 . 0 0 "[ . 1 . 2 . 3 .]" 1
203 1 16 GLU HA 1 51 TYR QD . . 5.500 3.419 2.521 4.352 . 0 0 "[ . 1 . 2 . 3 .]" 1
204 1 16 GLU HA 1 51 TYR QE . . 4.310 2.945 2.254 3.666 . 0 0 "[ . 1 . 2 . 3 .]" 1
205 1 16 GLU HA 1 68 ILE MD . . 5.490 4.779 4.045 5.191 . 0 0 "[ . 1 . 2 . 3 .]" 1
206 1 16 GLU QB 1 17 GLU H . . 4.030 2.915 2.224 3.565 . 0 0 "[ . 1 . 2 . 3 .]" 1
207 1 16 GLU QB 1 51 TYR QE . . 5.160 3.622 2.332 4.556 . 0 0 "[ . 1 . 2 . 3 .]" 1
208 1 16 GLU QG 1 17 GLU H . . 4.680 3.546 1.736 4.679 . 0 0 "[ . 1 . 2 . 3 .]" 1
209 1 16 GLU QG 1 51 TYR QE . . 4.280 3.193 2.011 4.397 0.117 35 0 "[ . 1 . 2 . 3 .]" 1
210 1 17 GLU H 1 17 GLU QB . . 2.840 2.241 1.872 2.946 0.106 1 0 "[ . 1 . 2 . 3 .]" 1
211 1 17 GLU H 1 17 GLU QG . . 3.730 2.812 1.804 3.389 . 0 0 "[ . 1 . 2 . 3 .]" 1
212 1 17 GLU H 1 20 VAL HB . . 5.400 5.209 4.439 5.478 0.078 11 0 "[ . 1 . 2 . 3 .]" 1
213 1 17 GLU HA 1 17 GLU QG . . 3.390 2.284 1.946 3.114 . 0 0 "[ . 1 . 2 . 3 .]" 1
214 1 17 GLU HA 1 18 ILE HA . . 5.110 4.857 4.685 4.978 . 0 0 "[ . 1 . 2 . 3 .]" 1
215 1 17 GLU HA 1 20 VAL H . . 3.720 3.308 3.076 3.697 . 0 0 "[ . 1 . 2 . 3 .]" 1
216 1 17 GLU HA 1 20 VAL HB . . 3.420 2.620 2.158 3.115 . 0 0 "[ . 1 . 2 . 3 .]" 1
217 1 17 GLU HA 1 20 VAL MG2 . . 3.310 3.118 2.035 3.425 0.115 8 0 "[ . 1 . 2 . 3 .]" 1
218 1 17 GLU QB 1 19 ALA H . . 5.500 4.870 4.637 5.295 . 0 0 "[ . 1 . 2 . 3 .]" 1
219 1 17 GLU QG 1 20 VAL MG2 . . 4.760 4.217 3.505 4.631 . 0 0 "[ . 1 . 2 . 3 .]" 1
220 1 17 GLU QG 1 21 LYS QE . . 4.830 3.875 1.851 4.708 . 0 0 "[ . 1 . 2 . 3 .]" 1
221 1 18 ILE H 1 18 ILE HB . . 2.960 2.469 2.287 2.775 . 0 0 "[ . 1 . 2 . 3 .]" 1
222 1 18 ILE H 1 18 ILE MD . . 3.650 3.357 2.023 3.719 0.069 12 0 "[ . 1 . 2 . 3 .]" 1
223 1 18 ILE H 1 18 ILE HG12 . . 3.770 3.524 3.088 3.834 0.064 1 0 "[ . 1 . 2 . 3 .]" 1
224 1 18 ILE H 1 18 ILE HG13 . . 3.570 2.192 1.866 2.753 . 0 0 "[ . 1 . 2 . 3 .]" 1
225 1 18 ILE H 1 19 ALA H . . 3.430 2.686 2.205 2.875 . 0 0 "[ . 1 . 2 . 3 .]" 1
226 1 18 ILE H 1 19 ALA MB . . 5.230 4.337 3.899 4.545 . 0 0 "[ . 1 . 2 . 3 .]" 1
227 1 18 ILE H 1 20 VAL H . . 5.120 4.168 3.363 4.497 . 0 0 "[ . 1 . 2 . 3 .]" 1
228 1 18 ILE H 1 68 ILE MD . . 4.530 4.443 3.875 4.626 0.096 23 0 "[ . 1 . 2 . 3 .]" 1
229 1 18 ILE HA 1 18 ILE MD . . 4.620 3.899 3.634 4.026 . 0 0 "[ . 1 . 2 . 3 .]" 1
230 1 18 ILE HA 1 18 ILE HG12 . . 3.470 2.651 2.521 3.353 . 0 0 "[ . 1 . 2 . 3 .]" 1
231 1 18 ILE HA 1 18 ILE HG13 . . 3.590 2.903 2.355 3.329 . 0 0 "[ . 1 . 2 . 3 .]" 1
232 1 18 ILE HA 1 18 ILE MG . . 3.070 2.437 2.189 2.542 . 0 0 "[ . 1 . 2 . 3 .]" 1
233 1 18 ILE HA 1 20 VAL H . . 5.420 4.594 3.966 5.070 . 0 0 "[ . 1 . 2 . 3 .]" 1
234 1 18 ILE HA 1 21 LYS H . . 4.120 3.628 3.056 3.964 . 0 0 "[ . 1 . 2 . 3 .]" 1
235 1 18 ILE HA 1 21 LYS QD . . 3.940 2.834 2.163 3.927 . 0 0 "[ . 1 . 2 . 3 .]" 1
236 1 18 ILE HA 1 21 LYS QE . . 5.320 3.839 1.939 5.382 0.062 28 0 "[ . 1 . 2 . 3 .]" 1
237 1 18 ILE HA 1 22 GLU H . . 4.770 4.026 3.646 4.505 . 0 0 "[ . 1 . 2 . 3 .]" 1
238 1 18 ILE HA 1 22 GLU HG3 . . 5.260 5.076 3.478 5.350 0.090 7 0 "[ . 1 . 2 . 3 .]" 1
239 1 18 ILE HA 1 68 ILE MD . . 5.490 4.645 4.196 5.237 . 0 0 "[ . 1 . 2 . 3 .]" 1
240 1 18 ILE HB 1 18 ILE MD . . 3.100 2.398 2.305 2.468 . 0 0 "[ . 1 . 2 . 3 .]" 1
241 1 18 ILE HB 1 19 ALA H . . 3.330 2.653 2.426 2.845 . 0 0 "[ . 1 . 2 . 3 .]" 1
242 1 18 ILE HB 1 19 ALA HA . . 4.520 4.509 4.278 4.602 0.082 32 0 "[ . 1 . 2 . 3 .]" 1
243 1 18 ILE MD 1 18 ILE MG . . 2.870 2.157 2.035 2.963 0.093 1 0 "[ . 1 . 2 . 3 .]" 1
244 1 18 ILE MD 1 19 ALA H . . 4.570 4.534 4.027 4.669 0.099 30 0 "[ . 1 . 2 . 3 .]" 1
245 1 18 ILE MD 1 68 ILE MD . . 4.580 3.594 3.075 3.968 . 0 0 "[ . 1 . 2 . 3 .]" 1
246 1 18 ILE MD 1 68 ILE MG . . 4.870 3.853 3.286 4.265 . 0 0 "[ . 1 . 2 . 3 .]" 1
247 1 18 ILE HG12 1 19 ALA H . . 5.430 5.096 4.950 5.288 . 0 0 "[ . 1 . 2 . 3 .]" 1
248 1 18 ILE HG13 1 19 ALA H . . 4.730 4.356 3.972 4.766 0.036 1 0 "[ . 1 . 2 . 3 .]" 1
249 1 18 ILE MG 1 19 ALA H . . 3.690 3.460 3.201 3.784 0.094 19 0 "[ . 1 . 2 . 3 .]" 1
250 1 18 ILE MG 1 22 GLU H . . 4.790 4.293 3.970 4.834 0.044 18 0 "[ . 1 . 2 . 3 .]" 1
251 1 18 ILE MG 1 22 GLU HG2 . . 4.250 3.606 2.578 4.327 0.077 11 0 "[ . 1 . 2 . 3 .]" 1
252 1 18 ILE MG 1 22 GLU HG3 . . 4.020 3.396 2.507 4.066 0.046 18 0 "[ . 1 . 2 . 3 .]" 1
253 1 19 ALA H 1 19 ALA MB . . 2.970 2.234 2.180 2.278 . 0 0 "[ . 1 . 2 . 3 .]" 1
254 1 19 ALA H 1 51 TYR QD . . 5.500 4.447 3.939 5.188 . 0 0 "[ . 1 . 2 . 3 .]" 1
255 1 19 ALA H 1 66 VAL QG . . 4.420 4.057 3.636 4.308 . 0 0 "[ . 1 . 2 . 3 .]" 1
256 1 19 ALA H 1 68 ILE MD . . 3.710 2.951 2.608 3.326 . 0 0 "[ . 1 . 2 . 3 .]" 1
257 1 19 ALA HA 1 22 GLU H . . 4.620 3.841 3.506 4.296 . 0 0 "[ . 1 . 2 . 3 .]" 1
258 1 19 ALA HA 1 22 GLU QB . . 3.850 3.201 2.569 3.925 0.075 18 0 "[ . 1 . 2 . 3 .]" 1
259 1 19 ALA HA 1 23 ALA H . . 5.500 4.072 3.801 4.554 . 0 0 "[ . 1 . 2 . 3 .]" 1
260 1 19 ALA HA 1 51 TYR QD . . 5.500 4.668 4.264 5.235 . 0 0 "[ . 1 . 2 . 3 .]" 1
261 1 19 ALA HA 1 66 VAL HB . . 4.250 3.877 3.253 4.333 0.083 20 0 "[ . 1 . 2 . 3 .]" 1
262 1 19 ALA HA 1 66 VAL QG . . 2.900 2.022 1.888 2.133 . 0 0 "[ . 1 . 2 . 3 .]" 1
263 1 19 ALA HA 1 68 ILE MD . . 3.690 2.656 2.189 3.427 . 0 0 "[ . 1 . 2 . 3 .]" 1
264 1 19 ALA MB 1 20 VAL H . . 3.720 2.525 2.212 3.150 . 0 0 "[ . 1 . 2 . 3 .]" 1
265 1 19 ALA MB 1 20 VAL HA . . 4.470 3.831 3.698 4.112 . 0 0 "[ . 1 . 2 . 3 .]" 1
266 1 19 ALA MB 1 20 VAL MG2 . . 3.490 3.042 2.562 3.469 . 0 0 "[ . 1 . 2 . 3 .]" 1
267 1 19 ALA MB 1 21 LYS H . . 5.060 4.641 4.314 4.982 . 0 0 "[ . 1 . 2 . 3 .]" 1
268 1 19 ALA MB 1 23 ALA H . . 5.150 4.634 4.444 5.224 0.074 18 0 "[ . 1 . 2 . 3 .]" 1
269 1 19 ALA MB 1 51 TYR H . . 5.300 3.622 2.573 4.433 . 0 0 "[ . 1 . 2 . 3 .]" 1
270 1 19 ALA MB 1 51 TYR HA . . 5.210 4.714 4.288 5.122 . 0 0 "[ . 1 . 2 . 3 .]" 1
271 1 19 ALA MB 1 51 TYR HB2 . . 4.190 2.391 2.060 2.837 . 0 0 "[ . 1 . 2 . 3 .]" 1
272 1 19 ALA MB 1 51 TYR QD . . 3.180 2.264 1.959 2.823 . 0 0 "[ . 1 . 2 . 3 .]" 1
273 1 19 ALA MB 1 53 LEU QD . . 3.260 2.435 2.119 3.033 . 0 0 "[ . 1 . 2 . 3 .]" 1
274 1 19 ALA MB 1 66 VAL HB . . 3.800 2.895 2.271 3.913 0.113 33 0 "[ . 1 . 2 . 3 .]" 1
275 1 19 ALA MB 1 66 VAL QG . . 3.070 2.166 1.903 2.567 . 0 0 "[ . 1 . 2 . 3 .]" 1
276 1 20 VAL H 1 20 VAL HB . . 3.080 2.438 2.135 2.700 . 0 0 "[ . 1 . 2 . 3 .]" 1
277 1 20 VAL H 1 20 VAL MG2 . . 2.860 2.223 1.876 2.658 . 0 0 "[ . 1 . 2 . 3 .]" 1
278 1 20 VAL H 1 21 LYS H . . 3.590 2.764 2.382 3.096 . 0 0 "[ . 1 . 2 . 3 .]" 1
279 1 20 VAL H 1 21 LYS HG3 . . 5.010 4.902 4.429 5.105 0.095 35 0 "[ . 1 . 2 . 3 .]" 1
280 1 20 VAL H 1 23 ALA MB . . 5.080 4.644 4.397 5.003 . 0 0 "[ . 1 . 2 . 3 .]" 1
281 1 20 VAL H 1 51 TYR QD . . 5.500 5.305 4.686 5.600 0.100 18 0 "[ . 1 . 2 . 3 .]" 1
282 1 20 VAL H 1 53 LEU QD . . 4.610 3.681 3.142 4.171 . 0 0 "[ . 1 . 2 . 3 .]" 1
283 1 20 VAL HA 1 20 VAL MG1 . . 2.970 2.508 2.279 2.649 . 0 0 "[ . 1 . 2 . 3 .]" 1
284 1 20 VAL HA 1 20 VAL MG2 . . 2.860 2.427 2.285 2.613 . 0 0 "[ . 1 . 2 . 3 .]" 1
285 1 20 VAL HA 1 22 GLU H . . 5.150 4.670 3.903 5.000 . 0 0 "[ . 1 . 2 . 3 .]" 1
286 1 20 VAL HA 1 22 GLU QB . . 5.500 5.373 4.825 5.621 0.121 3 0 "[ . 1 . 2 . 3 .]" 1
287 1 20 VAL HA 1 23 ALA H . . 4.140 3.585 3.274 3.914 . 0 0 "[ . 1 . 2 . 3 .]" 1
288 1 20 VAL HA 1 23 ALA MB . . 3.280 2.576 2.173 3.029 . 0 0 "[ . 1 . 2 . 3 .]" 1
289 1 20 VAL HA 1 24 LYS H . . 4.970 4.437 3.633 5.039 0.069 18 0 "[ . 1 . 2 . 3 .]" 1
290 1 20 VAL HA 1 53 LEU QD . . 3.220 2.595 2.002 3.200 . 0 0 "[ . 1 . 2 . 3 .]" 1
291 1 20 VAL HB 1 21 LYS H . . 3.470 2.711 2.446 3.073 . 0 0 "[ . 1 . 2 . 3 .]" 1
292 1 20 VAL HB 1 23 ALA MB . . 5.470 5.172 4.807 5.569 0.099 35 0 "[ . 1 . 2 . 3 .]" 1
293 1 20 VAL MG1 1 21 LYS H . . 3.510 3.446 3.204 3.578 0.068 1 0 "[ . 1 . 2 . 3 .]" 1
294 1 20 VAL MG1 1 21 LYS HA . . 3.410 3.435 3.137 3.512 0.102 26 0 "[ . 1 . 2 . 3 .]" 1
295 1 20 VAL MG1 1 21 LYS HG2 . . 5.130 4.610 3.878 5.006 . 0 0 "[ . 1 . 2 . 3 .]" 1
296 1 20 VAL MG1 1 24 LYS QE . . 3.800 2.930 1.887 3.903 0.103 22 0 "[ . 1 . 2 . 3 .]" 1
297 1 20 VAL MG1 1 35 LYS QD . . 5.260 3.393 2.121 5.236 . 0 0 "[ . 1 . 2 . 3 .]" 1
298 1 20 VAL MG2 1 35 LYS QB . . 4.680 2.952 1.876 4.021 . 0 0 "[ . 1 . 2 . 3 .]" 1
299 1 20 VAL MG2 1 35 LYS QD . . 3.530 2.610 1.964 3.617 0.087 15 0 "[ . 1 . 2 . 3 .]" 1
300 1 20 VAL MG2 1 35 LYS QG . . 3.210 2.674 1.978 3.331 0.121 7 0 "[ . 1 . 2 . 3 .]" 1
301 1 21 LYS H 1 21 LYS QD . . 3.810 3.793 3.376 3.918 0.108 2 0 "[ . 1 . 2 . 3 .]" 1
302 1 21 LYS H 1 21 LYS QE . . 5.500 4.078 2.791 5.295 . 0 0 "[ . 1 . 2 . 3 .]" 1
303 1 21 LYS H 1 21 LYS HG2 . . 3.940 3.116 1.781 3.925 . 0 0 "[ . 1 . 2 . 3 .]" 1
304 1 21 LYS H 1 21 LYS HG3 . . 3.620 2.621 2.014 3.226 . 0 0 "[ . 1 . 2 . 3 .]" 1
305 1 21 LYS HA 1 21 LYS QD . . 4.840 4.182 3.949 4.600 . 0 0 "[ . 1 . 2 . 3 .]" 1
306 1 21 LYS HA 1 21 LYS QE . . 5.210 4.587 4.030 5.128 . 0 0 "[ . 1 . 2 . 3 .]" 1
307 1 21 LYS HA 1 21 LYS HG2 . . 3.470 2.866 2.353 3.567 0.097 32 0 "[ . 1 . 2 . 3 .]" 1
308 1 21 LYS HA 1 21 LYS HG3 . . 3.710 3.114 2.626 3.787 0.077 23 0 "[ . 1 . 2 . 3 .]" 1
309 1 21 LYS HA 1 25 LYS H . . 5.340 4.101 3.771 5.408 0.068 18 0 "[ . 1 . 2 . 3 .]" 1
310 1 21 LYS QB 1 21 LYS QE . . 3.870 3.123 1.957 3.744 . 0 0 "[ . 1 . 2 . 3 .]" 1
311 1 21 LYS QD 1 22 GLU H . . 5.290 4.505 3.648 5.211 . 0 0 "[ . 1 . 2 . 3 .]" 1
312 1 21 LYS QE 1 21 LYS HG2 . . 3.670 2.641 2.150 3.212 . 0 0 "[ . 1 . 2 . 3 .]" 1
313 1 21 LYS QE 1 21 LYS HG3 . . 3.750 2.725 2.009 3.545 . 0 0 "[ . 1 . 2 . 3 .]" 1
314 1 22 GLU H 1 22 GLU QB . . 3.090 2.353 2.009 2.564 . 0 0 "[ . 1 . 2 . 3 .]" 1
315 1 22 GLU H 1 22 GLU HG2 . . 3.850 2.638 2.139 3.517 . 0 0 "[ . 1 . 2 . 3 .]" 1
316 1 22 GLU H 1 22 GLU HG3 . . 3.740 3.484 2.607 3.790 0.050 31 0 "[ . 1 . 2 . 3 .]" 1
317 1 22 GLU H 1 23 ALA H . . 3.530 2.754 2.364 2.925 . 0 0 "[ . 1 . 2 . 3 .]" 1
318 1 22 GLU H 1 23 ALA MB . . 4.570 4.388 4.101 4.528 . 0 0 "[ . 1 . 2 . 3 .]" 1
319 1 22 GLU H 1 24 LYS H . . 4.640 4.153 3.810 4.338 . 0 0 "[ . 1 . 2 . 3 .]" 1
320 1 22 GLU H 1 25 LYS H . . 5.500 4.764 4.618 4.894 . 0 0 "[ . 1 . 2 . 3 .]" 1
321 1 22 GLU H 1 82 ILE MD . . 5.090 4.527 4.165 5.187 0.097 3 0 "[ . 1 . 2 . 3 .]" 1
322 1 22 GLU HA 1 22 GLU HG2 . . 4.170 2.723 2.172 4.195 0.025 3 0 "[ . 1 . 2 . 3 .]" 1
323 1 22 GLU HA 1 22 GLU HG3 . . 4.020 3.658 2.981 3.840 . 0 0 "[ . 1 . 2 . 3 .]" 1
324 1 22 GLU HA 1 25 LYS H . . 3.840 3.344 2.682 3.594 . 0 0 "[ . 1 . 2 . 3 .]" 1
325 1 22 GLU HA 1 25 LYS QD . . 3.840 2.976 2.124 3.939 0.099 10 0 "[ . 1 . 2 . 3 .]" 1
326 1 22 GLU HA 1 25 LYS QE . . 4.430 3.359 1.819 4.525 0.095 18 0 "[ . 1 . 2 . 3 .]" 1
327 1 22 GLU HA 1 25 LYS QG . . 4.630 2.196 1.876 3.456 . 0 0 "[ . 1 . 2 . 3 .]" 1
328 1 22 GLU HA 1 26 ARG H . . 4.910 3.627 3.345 4.027 . 0 0 "[ . 1 . 2 . 3 .]" 1
329 1 22 GLU HA 1 82 ILE MD . . 4.950 3.987 3.564 4.216 . 0 0 "[ . 1 . 2 . 3 .]" 1
330 1 22 GLU QB 1 23 ALA H . . 3.430 2.625 2.333 3.499 0.069 3 0 "[ . 1 . 2 . 3 .]" 1
331 1 22 GLU QB 1 23 ALA MB . . 5.480 3.842 3.591 4.833 . 0 0 "[ . 1 . 2 . 3 .]" 1
332 1 22 GLU QB 1 25 LYS H . . 4.870 4.812 4.123 4.957 0.087 14 0 "[ . 1 . 2 . 3 .]" 1
333 1 22 GLU QB 1 26 ARG QD . . 4.680 4.334 3.919 4.796 0.116 8 0 "[ . 1 . 2 . 3 .]" 1
334 1 22 GLU QB 1 82 ILE MD . . 3.560 1.997 1.872 3.565 0.005 3 0 "[ . 1 . 2 . 3 .]" 1
335 1 22 GLU HG2 1 23 ALA H . . 4.900 4.578 3.995 5.034 0.134 28 0 "[ . 1 . 2 . 3 .]" 1
336 1 22 GLU HG2 1 82 ILE MD . . 4.240 4.324 4.032 4.363 0.123 26 0 "[ . 1 . 2 . 3 .]" 1
337 1 22 GLU HG3 1 23 ALA H . . 5.480 4.852 2.408 5.329 . 0 0 "[ . 1 . 2 . 3 .]" 1
338 1 22 GLU HG3 1 82 ILE MD . . 3.940 3.639 3.278 4.271 0.331 28 0 "[ . 1 . 2 . 3 .]" 1
339 1 23 ALA H 1 23 ALA MB . . 2.870 2.211 2.125 2.272 . 0 0 "[ . 1 . 2 . 3 .]" 1
340 1 23 ALA H 1 24 LYS H . . 3.490 2.883 2.751 2.991 . 0 0 "[ . 1 . 2 . 3 .]" 1
341 1 23 ALA H 1 25 LYS H . . 5.190 4.321 3.895 4.511 . 0 0 "[ . 1 . 2 . 3 .]" 1
342 1 23 ALA H 1 25 LYS QG . . 5.380 4.741 4.370 5.291 . 0 0 "[ . 1 . 2 . 3 .]" 1
343 1 23 ALA H 1 26 ARG H . . 5.500 5.061 4.884 5.246 . 0 0 "[ . 1 . 2 . 3 .]" 1
344 1 23 ALA H 1 66 VAL QG . . 4.320 3.242 2.724 3.925 . 0 0 "[ . 1 . 2 . 3 .]" 1
345 1 23 ALA H 1 82 ILE MD . . 4.030 3.418 2.849 3.823 . 0 0 "[ . 1 . 2 . 3 .]" 1
346 1 23 ALA HA 1 26 ARG H . . 4.840 4.117 3.707 4.498 . 0 0 "[ . 1 . 2 . 3 .]" 1
347 1 23 ALA HA 1 27 TYR QD . . 3.550 2.810 2.456 3.239 . 0 0 "[ . 1 . 2 . 3 .]" 1
348 1 23 ALA HA 1 27 TYR QE . . 4.140 2.633 2.032 3.247 . 0 0 "[ . 1 . 2 . 3 .]" 1
349 1 23 ALA HA 1 53 LEU QD . . 5.500 4.337 4.007 5.103 . 0 0 "[ . 1 . 2 . 3 .]" 1
350 1 23 ALA HA 1 66 VAL QG . . 4.800 3.681 3.030 4.366 . 0 0 "[ . 1 . 2 . 3 .]" 1
351 1 23 ALA HA 1 82 ILE MD . . 2.970 2.764 2.134 3.067 0.097 27 0 "[ . 1 . 2 . 3 .]" 1
352 1 23 ALA HA 1 82 ILE MG . . 4.000 3.812 3.412 4.089 0.089 13 0 "[ . 1 . 2 . 3 .]" 1
353 1 23 ALA MB 1 24 LYS H . . 3.240 3.072 2.632 3.326 0.086 10 0 "[ . 1 . 2 . 3 .]" 1
354 1 23 ALA MB 1 25 LYS H . . 4.840 4.787 4.410 4.940 0.100 20 0 "[ . 1 . 2 . 3 .]" 1
355 1 23 ALA MB 1 27 TYR QD . . 4.130 3.929 3.497 4.219 0.089 31 0 "[ . 1 . 2 . 3 .]" 1
356 1 23 ALA MB 1 27 TYR QE . . 4.030 3.762 3.167 4.139 0.109 3 0 "[ . 1 . 2 . 3 .]" 1
357 1 23 ALA MB 1 53 LEU QD . . 3.150 2.178 1.866 2.694 . 0 0 "[ . 1 . 2 . 3 .]" 1
358 1 23 ALA MB 1 55 LEU QD . . 3.220 2.623 2.232 3.021 . 0 0 "[ . 1 . 2 . 3 .]" 1
359 1 23 ALA MB 1 66 VAL QG . . 3.350 2.356 1.968 2.950 . 0 0 "[ . 1 . 2 . 3 .]" 1
360 1 23 ALA MB 1 82 ILE MD . . 3.390 3.245 2.776 3.518 0.128 20 0 "[ . 1 . 2 . 3 .]" 1
361 1 24 LYS H 1 24 LYS QB . . 3.160 2.753 2.360 2.942 . 0 0 "[ . 1 . 2 . 3 .]" 1
362 1 24 LYS H 1 24 LYS HB3 . . 2.980 2.830 2.391 3.056 0.076 4 0 "[ . 1 . 2 . 3 .]" 1
363 1 24 LYS H 1 24 LYS QE . . 5.500 4.274 3.368 5.194 . 0 0 "[ . 1 . 2 . 3 .]" 1
364 1 24 LYS H 1 24 LYS HG2 . . 3.460 2.631 2.209 3.430 . 0 0 "[ . 1 . 2 . 3 .]" 1
365 1 24 LYS H 1 24 LYS HG3 . . 3.760 3.338 2.460 3.822 0.062 9 0 "[ . 1 . 2 . 3 .]" 1
366 1 24 LYS H 1 25 LYS H . . 3.440 2.292 1.985 2.814 . 0 0 "[ . 1 . 2 . 3 .]" 1
367 1 24 LYS H 1 26 ARG H . . 4.860 4.050 3.601 4.405 . 0 0 "[ . 1 . 2 . 3 .]" 1
368 1 24 LYS HA 1 24 LYS QE . . 4.480 4.407 4.201 4.564 0.084 12 0 "[ . 1 . 2 . 3 .]" 1
369 1 24 LYS HA 1 24 LYS HG3 . . 3.530 3.612 3.588 3.621 0.091 5 0 "[ . 1 . 2 . 3 .]" 1
370 1 24 LYS HA 1 32 VAL H . . 3.990 3.998 3.636 4.082 0.092 10 0 "[ . 1 . 2 . 3 .]" 1
371 1 24 LYS HA 1 32 VAL HB . . 3.880 3.346 2.569 3.958 0.078 11 0 "[ . 1 . 2 . 3 .]" 1
372 1 24 LYS QB 1 24 LYS QE . . 3.970 2.212 1.995 2.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
373 1 24 LYS QB 1 24 LYS HG2 . . 2.790 2.330 2.133 2.436 . 0 0 "[ . 1 . 2 . 3 .]" 1
374 1 24 LYS QD 1 25 LYS H . . 5.360 4.377 3.556 4.967 . 0 0 "[ . 1 . 2 . 3 .]" 1
375 1 24 LYS QD 1 32 VAL H . . 5.500 5.165 4.281 5.396 . 0 0 "[ . 1 . 2 . 3 .]" 1
376 1 24 LYS QE 1 24 LYS HG3 . . 3.550 3.260 2.625 3.403 . 0 0 "[ . 1 . 2 . 3 .]" 1
377 1 24 LYS QE 1 32 VAL H . . 5.500 4.535 3.501 5.525 0.025 9 0 "[ . 1 . 2 . 3 .]" 1
378 1 24 LYS QE 1 32 VAL QG . . 5.460 2.871 1.892 4.327 . 0 0 "[ . 1 . 2 . 3 .]" 1
379 1 24 LYS HG3 1 25 LYS HA . . 3.530 3.440 3.023 3.626 0.096 25 0 "[ . 1 . 2 . 3 .]" 1
380 1 25 LYS H 1 25 LYS QB . . 2.830 2.557 2.277 2.895 0.065 13 0 "[ . 1 . 2 . 3 .]" 1
381 1 25 LYS H 1 25 LYS QE . . 5.130 4.738 4.166 5.206 0.076 10 0 "[ . 1 . 2 . 3 .]" 1
382 1 25 LYS H 1 25 LYS QG . . 3.430 2.293 2.013 2.653 . 0 0 "[ . 1 . 2 . 3 .]" 1
383 1 25 LYS H 1 26 ARG H . . 3.270 2.581 2.057 2.850 . 0 0 "[ . 1 . 2 . 3 .]" 1
384 1 25 LYS H 1 26 ARG HB3 . . 5.090 4.896 4.329 5.157 0.067 18 0 "[ . 1 . 2 . 3 .]" 1
385 1 25 LYS H 1 27 TYR H . . 4.790 4.220 4.008 4.455 . 0 0 "[ . 1 . 2 . 3 .]" 1
386 1 25 LYS H 1 82 ILE MD . . 5.500 5.491 4.841 5.607 0.107 23 0 "[ . 1 . 2 . 3 .]" 1
387 1 25 LYS HA 1 25 LYS QB . . 2.690 2.187 2.091 2.434 . 0 0 "[ . 1 . 2 . 3 .]" 1
388 1 25 LYS HA 1 25 LYS QG . . 3.750 3.287 2.373 3.550 . 0 0 "[ . 1 . 2 . 3 .]" 1
389 1 25 LYS QB 1 26 ARG H . . 3.410 3.295 2.384 3.512 0.102 29 0 "[ . 1 . 2 . 3 .]" 1
390 1 25 LYS QB 1 26 ARG HA . . 4.730 4.349 3.614 4.815 0.085 10 0 "[ . 1 . 2 . 3 .]" 1
391 1 25 LYS QB 1 27 TYR H . . 4.690 4.625 4.344 4.786 0.096 9 0 "[ . 1 . 2 . 3 .]" 1
392 1 25 LYS QD 1 26 ARG H . . 4.790 3.437 2.190 4.875 0.085 18 0 "[ . 1 . 2 . 3 .]" 1
393 1 25 LYS QG 1 26 ARG H . . 5.100 2.603 2.021 4.242 . 0 0 "[ . 1 . 2 . 3 .]" 1
394 1 26 ARG H 1 26 ARG HB2 . . 3.300 2.396 2.226 2.541 . 0 0 "[ . 1 . 2 . 3 .]" 1
395 1 26 ARG H 1 26 ARG HB3 . . 3.280 2.582 2.454 2.818 . 0 0 "[ . 1 . 2 . 3 .]" 1
396 1 26 ARG H 1 26 ARG QD . . 4.730 4.240 3.815 4.457 . 0 0 "[ . 1 . 2 . 3 .]" 1
397 1 26 ARG H 1 27 TYR H . . 3.190 2.962 2.821 3.169 . 0 0 "[ . 1 . 2 . 3 .]" 1
398 1 26 ARG H 1 27 TYR HA . . 5.380 5.365 5.188 5.456 0.076 17 0 "[ . 1 . 2 . 3 .]" 1
399 1 26 ARG H 1 27 TYR HB2 . . 5.130 4.575 4.193 4.865 . 0 0 "[ . 1 . 2 . 3 .]" 1
400 1 26 ARG H 1 28 PRO QD . . 5.500 5.173 4.926 5.346 . 0 0 "[ . 1 . 2 . 3 .]" 1
401 1 26 ARG H 1 82 ILE MD . . 5.300 4.556 3.804 4.950 . 0 0 "[ . 1 . 2 . 3 .]" 1
402 1 26 ARG HA 1 26 ARG QD . . 3.640 3.210 2.209 3.733 0.093 32 0 "[ . 1 . 2 . 3 .]" 1
403 1 26 ARG HA 1 26 ARG HG2 . . 3.670 3.509 2.364 3.753 0.083 10 0 "[ . 1 . 2 . 3 .]" 1
404 1 26 ARG HA 1 26 ARG HG3 . . 3.650 2.490 2.204 3.479 . 0 0 "[ . 1 . 2 . 3 .]" 1
405 1 26 ARG HA 1 27 TYR H . . 3.500 3.296 3.039 3.461 . 0 0 "[ . 1 . 2 . 3 .]" 1
406 1 26 ARG HA 1 27 TYR HA . . 5.170 4.632 4.527 4.737 . 0 0 "[ . 1 . 2 . 3 .]" 1
407 1 26 ARG HA 1 28 PRO QD . . 5.120 3.658 3.328 4.046 . 0 0 "[ . 1 . 2 . 3 .]" 1
408 1 26 ARG HB2 1 27 TYR QE . . 4.440 4.300 3.725 4.526 0.086 26 0 "[ . 1 . 2 . 3 .]" 1
409 1 26 ARG HB2 1 82 ILE MD . . 4.960 3.744 2.466 4.508 . 0 0 "[ . 1 . 2 . 3 .]" 1
410 1 26 ARG HB3 1 27 TYR QE . . 3.930 2.811 2.439 3.042 . 0 0 "[ . 1 . 2 . 3 .]" 1
411 1 26 ARG HB3 1 82 ILE MD . . 4.490 3.495 2.415 3.898 . 0 0 "[ . 1 . 2 . 3 .]" 1
412 1 26 ARG HB3 1 82 ILE MG . . 5.350 2.970 2.405 4.134 . 0 0 "[ . 1 . 2 . 3 .]" 1
413 1 26 ARG QD 1 82 ILE MD . . 3.780 3.521 2.053 3.884 0.104 5 0 "[ . 1 . 2 . 3 .]" 1
414 1 26 ARG QD 1 82 ILE HG13 . . 5.500 2.299 1.968 3.207 . 0 0 "[ . 1 . 2 . 3 .]" 1
415 1 26 ARG QD 1 82 ILE MG . . 3.910 2.851 1.986 3.992 0.082 14 0 "[ . 1 . 2 . 3 .]" 1
416 1 26 ARG HG2 1 27 TYR QE . . 3.940 3.664 3.103 4.651 0.711 8 1 "[ . + 1 . 2 . 3 .]" 1
417 1 26 ARG HG3 1 27 TYR H . . 4.900 4.907 4.703 5.761 0.861 8 1 "[ . + 1 . 2 . 3 .]" 1
418 1 27 TYR H 1 27 TYR HB2 . . 3.690 2.699 2.601 2.818 . 0 0 "[ . 1 . 2 . 3 .]" 1
419 1 27 TYR H 1 27 TYR HB3 . . 3.880 3.779 3.701 3.845 . 0 0 "[ . 1 . 2 . 3 .]" 1
420 1 27 TYR H 1 27 TYR QD . . 3.430 3.230 2.876 3.480 0.050 2 0 "[ . 1 . 2 . 3 .]" 1
421 1 27 TYR H 1 27 TYR QE . . 5.340 5.218 4.940 5.397 0.057 6 0 "[ . 1 . 2 . 3 .]" 1
422 1 27 TYR H 1 28 PRO HA . . 5.500 4.265 3.862 4.531 . 0 0 "[ . 1 . 2 . 3 .]" 1
423 1 27 TYR H 1 28 PRO QD . . 4.530 3.037 2.849 3.195 . 0 0 "[ . 1 . 2 . 3 .]" 1
424 1 27 TYR H 1 28 PRO HG3 . . 5.120 5.200 5.184 5.209 0.089 6 0 "[ . 1 . 2 . 3 .]" 1
425 1 27 TYR H 1 29 LEU H . . 5.500 5.284 4.960 5.549 0.049 22 0 "[ . 1 . 2 . 3 .]" 1
426 1 27 TYR H 1 55 LEU QD . . 4.770 4.453 4.189 4.679 . 0 0 "[ . 1 . 2 . 3 .]" 1
427 1 27 TYR HA 1 27 TYR QD . . 3.170 2.824 2.476 3.105 . 0 0 "[ . 1 . 2 . 3 .]" 1
428 1 27 TYR HA 1 27 TYR QE . . 5.200 4.517 4.176 4.853 . 0 0 "[ . 1 . 2 . 3 .]" 1
429 1 27 TYR HA 1 28 PRO QD . . 3.330 2.094 2.043 2.132 . 0 0 "[ . 1 . 2 . 3 .]" 1
430 1 27 TYR HA 1 28 PRO HG2 . . 4.340 4.369 4.207 4.414 0.074 27 0 "[ . 1 . 2 . 3 .]" 1
431 1 27 TYR HA 1 28 PRO HG3 . . 4.580 4.604 4.461 4.659 0.079 13 0 "[ . 1 . 2 . 3 .]" 1
432 1 27 TYR HA 1 29 LEU H . . 4.490 3.357 3.011 3.640 . 0 0 "[ . 1 . 2 . 3 .]" 1
433 1 27 TYR HA 1 30 ALA H . . 5.500 4.260 3.620 5.034 . 0 0 "[ . 1 . 2 . 3 .]" 1
434 1 27 TYR HA 1 30 ALA MB . . 5.360 4.183 3.808 4.517 . 0 0 "[ . 1 . 2 . 3 .]" 1
435 1 27 TYR HB2 1 30 ALA H . . 5.040 4.420 3.910 5.067 0.027 7 0 "[ . 1 . 2 . 3 .]" 1
436 1 27 TYR HB2 1 30 ALA MB . . 4.030 3.568 3.060 4.083 0.053 20 0 "[ . 1 . 2 . 3 .]" 1
437 1 27 TYR HB2 1 55 LEU QD . . 3.620 2.345 2.128 2.533 . 0 0 "[ . 1 . 2 . 3 .]" 1
438 1 27 TYR HB3 1 28 PRO QD . . 4.720 4.060 3.936 4.195 . 0 0 "[ . 1 . 2 . 3 .]" 1
439 1 27 TYR HB3 1 29 LEU H . . 5.100 4.046 3.745 4.450 . 0 0 "[ . 1 . 2 . 3 .]" 1
440 1 27 TYR HB3 1 30 ALA H . . 4.120 3.315 2.811 3.985 . 0 0 "[ . 1 . 2 . 3 .]" 1
441 1 27 TYR HB3 1 30 ALA MB . . 3.160 2.288 2.015 2.592 . 0 0 "[ . 1 . 2 . 3 .]" 1
442 1 27 TYR HB3 1 55 LEU QD . . 3.630 2.499 2.117 3.049 . 0 0 "[ . 1 . 2 . 3 .]" 1
443 1 27 TYR HB3 1 62 PHE HZ . . 4.560 4.119 3.608 4.629 0.069 22 0 "[ . 1 . 2 . 3 .]" 1
444 1 27 TYR QD 1 29 LEU H . . 4.910 4.756 4.337 5.004 0.094 6 0 "[ . 1 . 2 . 3 .]" 1
445 1 27 TYR QD 1 30 ALA MB . . 3.300 3.233 2.612 3.422 0.122 29 0 "[ . 1 . 2 . 3 .]" 1
446 1 27 TYR QD 1 55 LEU QD . . 3.680 2.801 2.490 3.124 . 0 0 "[ . 1 . 2 . 3 .]" 1
447 1 27 TYR QD 1 62 PHE QE . . 3.540 3.252 2.675 3.660 0.120 30 0 "[ . 1 . 2 . 3 .]" 1
448 1 27 TYR QD 1 62 PHE HZ . . 4.370 3.241 2.618 4.343 . 0 0 "[ . 1 . 2 . 3 .]" 1
449 1 27 TYR QD 1 64 VAL MG1 . . 4.360 3.947 3.577 4.466 0.106 33 0 "[ . 1 . 2 . 3 .]" 1
450 1 27 TYR QD 1 64 VAL MG2 . . 4.840 4.108 3.648 4.627 . 0 0 "[ . 1 . 2 . 3 .]" 1
451 1 27 TYR QD 1 82 ILE MD . . 4.570 4.310 3.487 4.666 0.096 5 0 "[ . 1 . 2 . 3 .]" 1
452 1 27 TYR QE 1 55 LEU QD . . 4.100 3.291 2.831 3.712 . 0 0 "[ . 1 . 2 . 3 .]" 1
453 1 27 TYR QE 1 62 PHE QE . . 3.810 2.843 2.217 3.866 0.056 32 0 "[ . 1 . 2 . 3 .]" 1
454 1 27 TYR QE 1 64 VAL MG1 . . 3.460 2.859 2.342 3.534 0.074 22 0 "[ . 1 . 2 . 3 .]" 1
455 1 27 TYR QE 1 64 VAL MG2 . . 3.620 3.163 2.586 3.730 0.110 3 0 "[ . 1 . 2 . 3 .]" 1
456 1 27 TYR QE 1 82 ILE MD . . 4.100 2.920 2.285 3.757 . 0 0 "[ . 1 . 2 . 3 .]" 1
457 1 27 TYR QE 1 82 ILE MG . . 3.560 2.293 2.027 2.919 . 0 0 "[ . 1 . 2 . 3 .]" 1
458 1 27 TYR QE 1 84 GLU HG3 . . 5.230 2.499 2.110 3.298 . 0 0 "[ . 1 . 2 . 3 .]" 1
459 1 28 PRO HB2 1 29 LEU H . . 4.560 3.661 3.237 3.855 . 0 0 "[ . 1 . 2 . 3 .]" 1
460 1 28 PRO HB2 1 29 LEU QD . . 4.670 2.817 2.413 3.234 . 0 0 "[ . 1 . 2 . 3 .]" 1
461 1 28 PRO HB3 1 29 LEU QD . . 4.910 4.116 3.812 4.382 . 0 0 "[ . 1 . 2 . 3 .]" 1
462 1 28 PRO QD 1 29 LEU H . . 4.390 2.545 2.047 3.093 . 0 0 "[ . 1 . 2 . 3 .]" 1
463 1 28 PRO QD 1 29 LEU QD . . 4.770 3.150 2.267 3.682 . 0 0 "[ . 1 . 2 . 3 .]" 1
464 1 28 PRO QD 1 30 ALA H . . 5.190 4.404 3.888 4.918 . 0 0 "[ . 1 . 2 . 3 .]" 1
465 1 28 PRO HG2 1 29 LEU H . . 4.130 2.911 2.442 3.158 . 0 0 "[ . 1 . 2 . 3 .]" 1
466 1 28 PRO HG3 1 29 LEU H . . 4.250 4.243 3.792 4.325 0.075 24 0 "[ . 1 . 2 . 3 .]" 1
467 1 29 LEU H 1 29 LEU HB2 . . 3.550 2.376 2.200 2.697 . 0 0 "[ . 1 . 2 . 3 .]" 1
468 1 29 LEU H 1 29 LEU HB3 . . 3.630 3.587 3.502 3.702 0.072 35 0 "[ . 1 . 2 . 3 .]" 1
469 1 29 LEU H 1 29 LEU QD . . 3.490 2.478 2.171 2.913 . 0 0 "[ . 1 . 2 . 3 .]" 1
470 1 29 LEU H 1 30 ALA H . . 3.040 2.593 2.183 3.091 0.051 7 0 "[ . 1 . 2 . 3 .]" 1
471 1 29 LEU H 1 30 ALA MB . . 4.670 3.984 3.560 4.341 . 0 0 "[ . 1 . 2 . 3 .]" 1
472 1 29 LEU HA 1 29 LEU QD . . 2.590 2.335 1.964 2.635 0.045 11 0 "[ . 1 . 2 . 3 .]" 1
473 1 29 LEU HA 1 29 LEU HG . . 3.660 3.018 2.176 3.740 0.080 30 0 "[ . 1 . 2 . 3 .]" 1
474 1 29 LEU HB2 1 29 LEU QD . . 2.980 2.270 2.130 2.472 . 0 0 "[ . 1 . 2 . 3 .]" 1
475 1 29 LEU HB2 1 30 ALA H . . 4.510 3.598 2.382 4.460 . 0 0 "[ . 1 . 2 . 3 .]" 1
476 1 29 LEU HB3 1 30 ALA H . . 4.420 4.082 3.181 4.493 0.073 8 0 "[ . 1 . 2 . 3 .]" 1
477 1 29 LEU HB3 1 57 GLU QG . . 4.930 2.921 2.195 4.709 . 0 0 "[ . 1 . 2 . 3 .]" 1
478 1 29 LEU QD 1 30 ALA H . . 4.330 4.102 3.708 4.291 . 0 0 "[ . 1 . 2 . 3 .]" 1
479 1 30 ALA H 1 30 ALA MB . . 2.970 2.569 2.115 3.040 0.070 7 0 "[ . 1 . 2 . 3 .]" 1
480 1 30 ALA H 1 31 GLN H . . 4.680 4.394 4.211 4.645 . 0 0 "[ . 1 . 2 . 3 .]" 1
481 1 30 ALA H 1 55 LEU QD . . 4.730 4.075 3.648 4.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
482 1 30 ALA H 1 62 PHE HZ . . 5.500 5.168 4.474 5.563 0.063 35 0 "[ . 1 . 2 . 3 .]" 1
483 1 30 ALA HA 1 31 GLN H . . 3.060 2.507 2.381 2.664 . 0 0 "[ . 1 . 2 . 3 .]" 1
484 1 30 ALA HA 1 56 ARG H . . 5.240 4.364 4.060 4.985 . 0 0 "[ . 1 . 2 . 3 .]" 1
485 1 30 ALA HA 1 57 GLU HB2 . . 3.890 3.267 2.376 4.107 0.217 14 0 "[ . 1 . 2 . 3 .]" 1
486 1 30 ALA MB 1 31 GLN H . . 3.180 2.286 1.813 2.599 . 0 0 "[ . 1 . 2 . 3 .]" 1
487 1 30 ALA MB 1 31 GLN HE21 . . 5.500 4.676 3.582 5.589 0.089 6 0 "[ . 1 . 2 . 3 .]" 1
488 1 30 ALA MB 1 31 GLN QG . . 4.860 4.389 3.890 4.745 . 0 0 "[ . 1 . 2 . 3 .]" 1
489 1 30 ALA MB 1 32 VAL H . . 5.500 5.222 4.703 5.470 . 0 0 "[ . 1 . 2 . 3 .]" 1
490 1 30 ALA MB 1 55 LEU HA . . 5.500 3.932 3.374 4.644 . 0 0 "[ . 1 . 2 . 3 .]" 1
491 1 30 ALA MB 1 55 LEU HB2 . . 3.860 3.489 3.062 3.942 0.082 1 0 "[ . 1 . 2 . 3 .]" 1
492 1 30 ALA MB 1 55 LEU HB3 . . 3.420 2.171 1.983 2.537 . 0 0 "[ . 1 . 2 . 3 .]" 1
493 1 30 ALA MB 1 55 LEU QD . . 3.030 2.141 1.946 2.602 . 0 0 "[ . 1 . 2 . 3 .]" 1
494 1 30 ALA MB 1 56 ARG H . . 3.890 2.823 2.164 3.283 . 0 0 "[ . 1 . 2 . 3 .]" 1
495 1 30 ALA MB 1 57 GLU HA . . 4.240 3.154 2.468 3.782 . 0 0 "[ . 1 . 2 . 3 .]" 1
496 1 30 ALA MB 1 57 GLU HB2 . . 3.290 2.258 2.060 3.486 0.196 14 0 "[ . 1 . 2 . 3 .]" 1
497 1 30 ALA MB 1 57 GLU HB3 . . 4.400 3.594 2.276 4.007 . 0 0 "[ . 1 . 2 . 3 .]" 1
498 1 30 ALA MB 1 57 GLU QG . . 4.440 3.437 2.420 3.965 . 0 0 "[ . 1 . 2 . 3 .]" 1
499 1 30 ALA MB 1 62 PHE QE . . 3.830 2.805 2.357 3.214 . 0 0 "[ . 1 . 2 . 3 .]" 1
500 1 30 ALA MB 1 62 PHE HZ . . 3.550 2.290 2.072 2.790 . 0 0 "[ . 1 . 2 . 3 .]" 1
501 1 31 GLN H 1 31 GLN HB2 . . 3.320 2.816 2.503 3.864 0.544 35 1 "[ . 1 . 2 . 3 +]" 1
502 1 31 GLN H 1 31 GLN QG . . 3.840 3.000 2.165 3.552 . 0 0 "[ . 1 . 2 . 3 .]" 1
503 1 31 GLN H 1 55 LEU HA . . 4.830 4.141 3.902 4.598 . 0 0 "[ . 1 . 2 . 3 .]" 1
504 1 31 GLN H 1 55 LEU HB2 . . 5.500 5.308 4.577 5.581 0.081 7 0 "[ . 1 . 2 . 3 .]" 1
505 1 31 GLN H 1 55 LEU HB3 . . 4.850 3.618 2.854 3.950 . 0 0 "[ . 1 . 2 . 3 .]" 1
506 1 31 GLN H 1 55 LEU QD . . 4.520 2.924 2.613 3.240 . 0 0 "[ . 1 . 2 . 3 .]" 1
507 1 31 GLN H 1 56 ARG H . . 3.720 2.433 2.140 3.007 . 0 0 "[ . 1 . 2 . 3 .]" 1
508 1 31 GLN H 1 56 ARG QG . . 5.280 4.614 3.478 5.349 0.069 19 0 "[ . 1 . 2 . 3 .]" 1
509 1 31 GLN H 1 62 PHE QE . . 5.500 5.246 4.837 5.597 0.097 22 0 "[ . 1 . 2 . 3 .]" 1
510 1 31 GLN H 1 62 PHE HZ . . 5.500 5.400 4.592 5.573 0.073 21 0 "[ . 1 . 2 . 3 .]" 1
511 1 31 GLN HA 1 31 GLN QG . . 3.570 2.792 2.186 3.287 . 0 0 "[ . 1 . 2 . 3 .]" 1
512 1 31 GLN HA 1 32 VAL H . . 2.960 2.290 2.073 2.435 . 0 0 "[ . 1 . 2 . 3 .]" 1
513 1 31 GLN HA 1 55 LEU QD . . 4.690 3.158 2.756 3.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
514 1 31 GLN HB2 1 55 LEU QD . . 4.470 4.455 4.286 4.935 0.465 29 0 "[ . 1 . 2 . 3 .]" 1
515 1 31 GLN HB2 1 56 ARG H . . 4.560 3.881 3.258 5.453 0.893 29 3 "[ . 1 . 2 . -+3 *]" 1
516 1 31 GLN HB3 1 33 LEU QD . . 5.260 3.247 2.247 4.997 . 0 0 "[ . 1 . 2 . 3 .]" 1
517 1 31 GLN HE21 1 32 VAL H . . 5.500 5.484 4.566 5.594 0.094 28 0 "[ . 1 . 2 . 3 .]" 1
518 1 31 GLN HE21 1 33 LEU QD . . 5.500 4.321 2.885 5.515 0.015 8 0 "[ . 1 . 2 . 3 .]" 1
519 1 31 GLN HE21 1 57 GLU HA . . 5.500 4.948 3.342 5.582 0.082 20 0 "[ . 1 . 2 . 3 .]" 1
520 1 31 GLN QG 1 33 LEU QD . . 4.840 3.837 2.068 4.482 . 0 0 "[ . 1 . 2 . 3 .]" 1
521 1 31 GLN QG 1 56 ARG H . . 5.320 4.754 2.519 5.135 . 0 0 "[ . 1 . 2 . 3 .]" 1
522 1 32 VAL H 1 32 VAL HB . . 3.200 2.584 2.205 2.992 . 0 0 "[ . 1 . 2 . 3 .]" 1
523 1 32 VAL H 1 32 VAL QG . . 3.770 2.357 1.888 2.782 . 0 0 "[ . 1 . 2 . 3 .]" 1
524 1 32 VAL H 1 55 LEU QD . . 5.500 3.182 2.750 3.589 . 0 0 "[ . 1 . 2 . 3 .]" 1
525 1 32 VAL HA 1 32 VAL QG . . 3.270 2.186 2.073 2.389 . 0 0 "[ . 1 . 2 . 3 .]" 1
526 1 32 VAL HA 1 33 LEU QD . . 5.490 3.018 2.201 3.746 . 0 0 "[ . 1 . 2 . 3 .]" 1
527 1 32 VAL HA 1 55 LEU HG . . 4.950 3.954 2.008 5.051 0.101 17 0 "[ . 1 . 2 . 3 .]" 1
528 1 32 VAL HB 1 33 LEU H . . 4.390 4.329 4.110 4.474 0.084 26 0 "[ . 1 . 2 . 3 .]" 1
529 1 32 VAL HB 1 33 LEU QD . . 5.230 4.753 4.328 5.172 . 0 0 "[ . 1 . 2 . 3 .]" 1
530 1 32 VAL HB 1 55 LEU QD . . 4.230 2.850 1.847 4.158 . 0 0 "[ . 1 . 2 . 3 .]" 1
531 1 32 VAL QG 1 33 LEU H . . 4.040 2.703 2.327 3.286 . 0 0 "[ . 1 . 2 . 3 .]" 1
532 1 32 VAL QG 1 33 LEU HA . . 4.460 3.613 3.242 3.988 . 0 0 "[ . 1 . 2 . 3 .]" 1
533 1 32 VAL QG 1 34 PHE H . . 3.790 2.439 1.882 3.255 . 0 0 "[ . 1 . 2 . 3 .]" 1
534 1 32 VAL QG 1 55 LEU HA . . 4.250 3.493 3.020 4.199 . 0 0 "[ . 1 . 2 . 3 .]" 1
535 1 32 VAL QG 1 55 LEU QD . . 3.100 2.230 1.803 2.894 . 0 0 "[ . 1 . 2 . 3 .]" 1
536 1 33 LEU H 1 33 LEU HB2 . . 3.680 3.327 2.357 3.765 0.085 16 0 "[ . 1 . 2 . 3 .]" 1
537 1 33 LEU H 1 33 LEU HB3 . . 3.970 3.628 3.375 3.886 . 0 0 "[ . 1 . 2 . 3 .]" 1
538 1 33 LEU H 1 33 LEU QD . . 3.850 2.542 1.646 3.244 . 0 0 "[ . 1 . 2 . 3 .]" 1
539 1 33 LEU H 1 33 LEU HG . . 3.700 2.728 2.183 3.800 0.100 26 0 "[ . 1 . 2 . 3 .]" 1
540 1 33 LEU H 1 34 PHE H . . 3.690 2.259 1.752 2.950 . 0 0 "[ . 1 . 2 . 3 .]" 1
541 1 33 LEU H 1 34 PHE HB2 . . 5.220 3.503 3.025 4.043 . 0 0 "[ . 1 . 2 . 3 .]" 1
542 1 33 LEU H 1 34 PHE HB3 . . 5.500 4.823 4.235 5.434 . 0 0 "[ . 1 . 2 . 3 .]" 1
543 1 33 LEU H 1 34 PHE QD . . 5.290 4.598 4.122 5.373 0.083 3 0 "[ . 1 . 2 . 3 .]" 1
544 1 33 LEU H 1 54 THR H . . 4.280 3.999 3.326 4.369 0.089 26 0 "[ . 1 . 2 . 3 .]" 1
545 1 33 LEU H 1 55 LEU HA . . 3.880 3.456 2.855 3.926 0.046 21 0 "[ . 1 . 2 . 3 .]" 1
546 1 33 LEU HA 1 33 LEU QD . . 3.960 3.145 2.304 3.427 . 0 0 "[ . 1 . 2 . 3 .]" 1
547 1 33 LEU HA 1 33 LEU HG . . 4.180 3.466 2.444 4.172 . 0 0 "[ . 1 . 2 . 3 .]" 1
548 1 33 LEU HA 1 34 PHE QD . . 5.490 5.279 4.743 5.581 0.091 4 0 "[ . 1 . 2 . 3 .]" 1
549 1 33 LEU HB2 1 33 LEU QD . . 2.670 2.139 2.011 2.310 . 0 0 "[ . 1 . 2 . 3 .]" 1
550 1 33 LEU HB2 1 34 PHE H . . 4.420 4.021 2.451 4.475 0.055 6 0 "[ . 1 . 2 . 3 .]" 1
551 1 33 LEU HB2 1 34 PHE HA . . 4.770 4.611 3.580 4.849 0.079 7 0 "[ . 1 . 2 . 3 .]" 1
552 1 33 LEU HB2 1 34 PHE HB2 . . 4.730 4.342 2.791 4.813 0.083 3 0 "[ . 1 . 2 . 3 .]" 1
553 1 33 LEU HB2 1 34 PHE QD . . 5.060 3.689 2.512 4.327 . 0 0 "[ . 1 . 2 . 3 .]" 1
554 1 33 LEU HB3 1 33 LEU QD . . 2.790 2.155 2.061 2.581 . 0 0 "[ . 1 . 2 . 3 .]" 1
555 1 33 LEU HB3 1 34 PHE H . . 5.330 4.564 3.762 4.795 . 0 0 "[ . 1 . 2 . 3 .]" 1
556 1 33 LEU HB3 1 34 PHE QD . . 5.500 4.979 3.438 5.594 0.094 29 0 "[ . 1 . 2 . 3 .]" 1
557 1 33 LEU QD 1 34 PHE H . . 5.170 3.959 2.498 4.603 . 0 0 "[ . 1 . 2 . 3 .]" 1
558 1 33 LEU QD 1 54 THR MG . . 3.370 3.077 2.171 3.465 0.095 20 0 "[ . 1 . 2 . 3 .]" 1
559 1 33 LEU QD 1 55 LEU HA . . 4.990 3.043 2.001 4.263 . 0 0 "[ . 1 . 2 . 3 .]" 1
560 1 33 LEU QD 1 56 ARG H . . 4.700 2.707 2.104 3.575 . 0 0 "[ . 1 . 2 . 3 .]" 1
561 1 33 LEU QD 1 56 ARG HA . . 4.430 3.744 3.258 4.244 . 0 0 "[ . 1 . 2 . 3 .]" 1
562 1 33 LEU QD 1 56 ARG QB . . 4.570 1.886 1.762 2.154 . 0 0 "[ . 1 . 2 . 3 .]" 1
563 1 33 LEU QD 1 56 ARG QD . . 3.860 2.353 1.801 3.542 . 0 0 "[ . 1 . 2 . 3 .]" 1
564 1 33 LEU QD 1 56 ARG QG . . 4.490 3.211 2.055 3.722 . 0 0 "[ . 1 . 2 . 3 .]" 1
565 1 33 LEU QD 1 61 GLU HG2 . . 4.550 3.230 2.503 3.953 . 0 0 "[ . 1 . 2 . 3 .]" 1
566 1 33 LEU QD 1 61 GLU HG3 . . 4.400 3.605 2.522 4.527 0.127 31 0 "[ . 1 . 2 . 3 .]" 1
567 1 33 LEU HG 1 34 PHE H . . 4.930 4.421 3.103 5.028 0.098 5 0 "[ . 1 . 2 . 3 .]" 1
568 1 34 PHE H 1 34 PHE HB2 . . 4.050 2.659 2.016 3.253 . 0 0 "[ . 1 . 2 . 3 .]" 1
569 1 34 PHE H 1 54 THR H . . 4.120 3.490 2.737 4.179 0.059 6 0 "[ . 1 . 2 . 3 .]" 1
570 1 34 PHE HA 1 34 PHE QD . . 3.490 2.891 2.158 3.108 . 0 0 "[ . 1 . 2 . 3 .]" 1
571 1 34 PHE HB2 1 35 LYS H . . 4.440 4.186 3.838 4.497 0.057 33 0 "[ . 1 . 2 . 3 .]" 1
572 1 34 PHE HB2 1 53 LEU QD . . 5.200 4.690 3.872 5.148 . 0 0 "[ . 1 . 2 . 3 .]" 1
573 1 34 PHE HB2 1 54 THR H . . 4.600 2.234 1.716 3.314 . 0 0 "[ . 1 . 2 . 3 .]" 1
574 1 34 PHE HB2 1 54 THR HB . . 4.460 2.476 1.986 3.935 . 0 0 "[ . 1 . 2 . 3 .]" 1
575 1 34 PHE HB2 1 54 THR MG . . 4.310 3.483 2.078 4.387 0.077 25 0 "[ . 1 . 2 . 3 .]" 1
576 1 34 PHE HB3 1 35 LYS H . . 4.400 3.071 2.522 3.690 . 0 0 "[ . 1 . 2 . 3 .]" 1
577 1 34 PHE HB3 1 53 LEU HA . . 5.500 2.634 2.098 3.397 . 0 0 "[ . 1 . 2 . 3 .]" 1
578 1 34 PHE HB3 1 54 THR H . . 4.630 2.342 1.814 3.282 . 0 0 "[ . 1 . 2 . 3 .]" 1
579 1 34 PHE HB3 1 54 THR HB . . 4.240 3.345 2.325 4.316 0.076 29 0 "[ . 1 . 2 . 3 .]" 1
580 1 34 PHE QD 1 35 LYS H . . 4.120 2.674 1.787 3.592 . 0 0 "[ . 1 . 2 . 3 .]" 1
581 1 34 PHE QD 1 36 GLN QB . . 5.120 3.116 2.149 4.124 . 0 0 "[ . 1 . 2 . 3 .]" 1
582 1 34 PHE QD 1 36 GLN QG . . 5.010 3.954 2.051 5.121 0.111 22 0 "[ . 1 . 2 . 3 .]" 1
583 1 34 PHE QD 1 53 LEU HA . . 5.500 4.150 2.276 5.021 . 0 0 "[ . 1 . 2 . 3 .]" 1
584 1 34 PHE QD 1 54 THR H . . 4.530 3.929 3.257 4.576 0.046 33 0 "[ . 1 . 2 . 3 .]" 1
585 1 34 PHE QD 1 54 THR HB . . 4.670 2.866 2.090 4.268 . 0 0 "[ . 1 . 2 . 3 .]" 1
586 1 34 PHE QD 1 54 THR MG . . 3.450 3.251 2.125 3.579 0.129 16 0 "[ . 1 . 2 . 3 .]" 1
587 1 34 PHE QE 1 36 GLN QB . . 5.050 3.890 2.335 4.968 . 0 0 "[ . 1 . 2 . 3 .]" 1
588 1 34 PHE QE 1 54 THR HB . . 4.940 4.405 3.740 5.029 0.089 31 0 "[ . 1 . 2 . 3 .]" 1
589 1 34 PHE QE 1 54 THR MG . . 4.280 4.034 3.498 4.394 0.114 11 0 "[ . 1 . 2 . 3 .]" 1
590 1 35 LYS H 1 35 LYS QG . . 4.290 3.242 2.443 4.222 . 0 0 "[ . 1 . 2 . 3 .]" 1
591 1 35 LYS H 1 36 GLN H . . 5.500 3.543 2.646 4.156 . 0 0 "[ . 1 . 2 . 3 .]" 1
592 1 35 LYS H 1 36 GLN QB . . 5.500 3.904 3.121 4.904 . 0 0 "[ . 1 . 2 . 3 .]" 1
593 1 35 LYS H 1 53 LEU QD . . 5.500 4.120 3.411 4.746 . 0 0 "[ . 1 . 2 . 3 .]" 1
594 1 35 LYS HA 1 53 LEU HB3 . . 4.590 4.231 3.725 4.655 0.065 29 0 "[ . 1 . 2 . 3 .]" 1
595 1 35 LYS HA 1 53 LEU QD . . 4.600 2.241 1.841 3.036 . 0 0 "[ . 1 . 2 . 3 .]" 1
596 1 35 LYS QB 1 36 GLN H . . 4.030 3.788 3.169 4.121 0.091 15 0 "[ . 1 . 2 . 3 .]" 1
597 1 35 LYS QB 1 53 LEU QD . . 3.510 3.182 2.042 3.580 0.070 35 0 "[ . 1 . 2 . 3 .]" 1
598 1 35 LYS QD 1 53 LEU QD . . 4.380 4.024 2.110 4.450 0.070 8 0 "[ . 1 . 2 . 3 .]" 1
599 1 35 LYS QG 1 53 LEU QD . . 3.610 2.988 2.039 3.703 0.093 24 0 "[ . 1 . 2 . 3 .]" 1
600 1 36 GLN H 1 36 GLN QG . . 4.160 3.689 2.439 4.240 0.080 12 0 "[ . 1 . 2 . 3 .]" 1
601 1 36 GLN H 1 37 LYS H . . 5.500 4.425 4.203 4.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
602 1 36 GLN H 1 37 LYS HA . . 5.190 5.013 4.609 5.265 0.075 3 0 "[ . 1 . 2 . 3 .]" 1
603 1 36 GLN H 1 51 TYR QD . . 5.230 4.341 3.119 5.298 0.068 17 0 "[ . 1 . 2 . 3 .]" 1
604 1 36 GLN H 1 52 HIS H . . 4.260 3.541 2.928 4.325 0.065 32 0 "[ . 1 . 2 . 3 .]" 1
605 1 36 GLN H 1 53 LEU HA . . 5.500 3.445 2.765 4.212 . 0 0 "[ . 1 . 2 . 3 .]" 1
606 1 36 GLN H 1 53 LEU HB3 . . 5.390 5.131 4.566 5.468 0.078 32 0 "[ . 1 . 2 . 3 .]" 1
607 1 36 GLN H 1 53 LEU QD . . 5.500 2.979 1.793 4.200 . 0 0 "[ . 1 . 2 . 3 .]" 1
608 1 36 GLN H 1 53 LEU HG . . 5.500 4.518 2.647 5.589 0.089 4 0 "[ . 1 . 2 . 3 .]" 1
609 1 36 GLN QB 1 37 LYS H . . 4.310 3.003 2.164 3.805 . 0 0 "[ . 1 . 2 . 3 .]" 1
610 1 36 GLN QB 1 52 HIS QB . . 4.770 3.394 2.125 4.592 . 0 0 "[ . 1 . 2 . 3 .]" 1
611 1 36 GLN QG 1 37 LYS H . . 4.070 2.826 1.864 4.156 0.086 10 0 "[ . 1 . 2 . 3 .]" 1
612 1 36 GLN QG 1 52 HIS H . . 5.500 4.887 2.634 5.603 0.103 7 0 "[ . 1 . 2 . 3 .]" 1
613 1 37 LYS H 1 37 LYS HB3 . . 4.120 3.055 2.372 3.908 . 0 0 "[ . 1 . 2 . 3 .]" 1
614 1 37 LYS H 1 51 TYR QD . . 5.410 4.244 2.968 5.179 . 0 0 "[ . 1 . 2 . 3 .]" 1
615 1 37 LYS HA 1 38 VAL HA . . 4.760 4.544 4.441 4.687 . 0 0 "[ . 1 . 2 . 3 .]" 1
616 1 37 LYS HA 1 51 TYR QD . . 5.210 2.624 2.107 3.072 . 0 0 "[ . 1 . 2 . 3 .]" 1
617 1 37 LYS HA 1 51 TYR QE . . 5.500 3.793 3.066 4.719 . 0 0 "[ . 1 . 2 . 3 .]" 1
618 1 38 VAL H 1 51 TYR HA . . 4.020 3.427 2.487 4.092 0.072 3 0 "[ . 1 . 2 . 3 .]" 1
619 1 38 VAL H 1 51 TYR QD . . 4.810 4.563 3.429 4.891 0.081 9 0 "[ . 1 . 2 . 3 .]" 1
620 1 38 VAL H 1 52 HIS H . . 5.110 4.651 3.293 5.177 0.067 11 0 "[ . 1 . 2 . 3 .]" 1
621 1 38 VAL HB 1 51 TYR HA . . 5.500 4.742 2.452 5.568 0.068 16 0 "[ . 1 . 2 . 3 .]" 1
622 1 38 VAL QG 1 52 HIS H . . 5.300 3.097 2.203 4.190 . 0 0 "[ . 1 . 2 . 3 .]" 1
623 1 38 VAL QG 1 52 HIS QB . . 4.370 2.223 1.807 3.158 . 0 0 "[ . 1 . 2 . 3 .]" 1
624 1 38 VAL QG 1 52 HIS HD1 . . 5.500 4.626 2.753 5.421 . 0 0 "[ . 1 . 2 . 3 .]" 1
625 1 38 VAL QG 1 65 PHE QE . . 4.180 3.034 2.057 4.140 . 0 0 "[ . 1 . 2 . 3 .]" 1
626 1 39 TRP HA 1 39 TRP HD1 . . 3.980 2.879 2.208 4.064 0.084 19 0 "[ . 1 . 2 . 3 .]" 1
627 1 39 TRP HA 1 40 ASP HA . . 5.420 4.540 4.459 4.676 . 0 0 "[ . 1 . 2 . 3 .]" 1
628 1 39 TRP HB2 1 39 TRP HD1 . . 3.840 2.900 2.576 3.808 . 0 0 "[ . 1 . 2 . 3 .]" 1
629 1 39 TRP HB3 1 39 TRP HZ3 . . 5.410 5.043 4.847 6.347 0.937 21 2 "[ . 1 . -2+ . 3 .]" 1
630 1 39 TRP HD1 1 40 ASP H . . 5.500 3.747 2.685 5.077 . 0 0 "[ . 1 . 2 . 3 .]" 1
631 1 39 TRP HE1 1 41 ARG QB . . 4.740 3.857 3.184 4.441 . 0 0 "[ . 1 . 2 . 3 .]" 1
632 1 39 TRP HE1 1 41 ARG QD . . 5.500 5.123 4.125 5.397 . 0 0 "[ . 1 . 2 . 3 .]" 1
633 1 39 TRP HE1 1 41 ARG QG . . 5.130 4.074 2.703 5.200 0.070 23 0 "[ . 1 . 2 . 3 .]" 1
634 1 39 TRP HE3 1 41 ARG H . . 5.500 4.509 2.626 5.456 . 0 0 "[ . 1 . 2 . 3 .]" 1
635 1 39 TRP HE3 1 48 VAL HB . . 4.960 4.490 3.276 5.031 0.071 3 0 "[ . 1 . 2 . 3 .]" 1
636 1 39 TRP HH2 1 41 ARG QB . . 5.500 3.595 2.467 5.108 . 0 0 "[ . 1 . 2 . 3 .]" 1
637 1 39 TRP HH2 1 41 ARG QD . . 5.060 2.953 2.086 4.731 . 0 0 "[ . 1 . 2 . 3 .]" 1
638 1 39 TRP HH2 1 41 ARG QG . . 5.100 3.560 2.191 4.445 . 0 0 "[ . 1 . 2 . 3 .]" 1
639 1 39 TRP HZ2 1 41 ARG QB . . 5.500 3.445 2.833 4.481 . 0 0 "[ . 1 . 2 . 3 .]" 1
640 1 39 TRP HZ2 1 41 ARG QD . . 5.200 3.310 2.280 4.420 . 0 0 "[ . 1 . 2 . 3 .]" 1
641 1 39 TRP HZ2 1 41 ARG QG . . 4.670 3.021 2.059 4.365 . 0 0 "[ . 1 . 2 . 3 .]" 1
642 1 39 TRP HZ3 1 41 ARG QG . . 4.940 4.482 3.245 5.030 0.090 33 0 "[ . 1 . 2 . 3 .]" 1
643 1 39 TRP HZ3 1 48 VAL HB . . 4.270 3.481 2.074 4.335 0.065 5 0 "[ . 1 . 2 . 3 .]" 1
644 1 39 TRP HZ3 1 48 VAL QG . . 4.370 2.693 2.084 4.141 . 0 0 "[ . 1 . 2 . 3 .]" 1
645 1 40 ASP HA 1 41 ARG QB . . 5.070 4.216 3.485 4.908 . 0 0 "[ . 1 . 2 . 3 .]" 1
646 1 40 ASP HA 1 49 LYS QG . . 4.780 3.718 1.975 4.733 . 0 0 "[ . 1 . 2 . 3 .]" 1
647 1 40 ASP HB2 1 41 ARG H . . 4.470 3.983 2.431 4.716 0.246 21 0 "[ . 1 . 2 . 3 .]" 1
648 1 40 ASP HB3 1 41 ARG H . . 4.820 4.211 2.719 4.722 . 0 0 "[ . 1 . 2 . 3 .]" 1
649 1 41 ARG H 1 41 ARG QG . . 4.670 3.755 2.396 4.405 . 0 0 "[ . 1 . 2 . 3 .]" 1
650 1 41 ARG H 1 42 LYS H . . 5.070 4.425 3.924 4.714 . 0 0 "[ . 1 . 2 . 3 .]" 1
651 1 41 ARG H 1 48 VAL H . . 4.850 3.911 3.078 4.928 0.078 21 0 "[ . 1 . 2 . 3 .]" 1
652 1 41 ARG HA 1 41 ARG QD . . 4.540 3.674 2.220 4.271 . 0 0 "[ . 1 . 2 . 3 .]" 1
653 1 41 ARG HA 1 41 ARG QG . . 3.560 2.721 2.130 3.529 . 0 0 "[ . 1 . 2 . 3 .]" 1
654 1 41 ARG HA 1 42 LYS H . . 2.930 2.481 2.229 2.740 . 0 0 "[ . 1 . 2 . 3 .]" 1
655 1 41 ARG QB 1 42 LYS H . . 4.840 3.080 1.993 3.982 . 0 0 "[ . 1 . 2 . 3 .]" 1
656 1 41 ARG QB 1 42 LYS HA . . 5.020 4.252 3.809 4.803 . 0 0 "[ . 1 . 2 . 3 .]" 1
657 1 41 ARG QB 1 48 VAL H . . 5.480 4.625 3.966 5.342 . 0 0 "[ . 1 . 2 . 3 .]" 1
658 1 41 ARG QD 1 42 LYS H . . 3.560 2.757 1.843 3.509 . 0 0 "[ . 1 . 2 . 3 .]" 1
659 1 41 ARG QD 1 42 LYS HA . . 3.790 3.580 2.555 3.800 0.010 34 0 "[ . 1 . 2 . 3 .]" 1
660 1 41 ARG QD 1 48 VAL QG . . 5.000 3.575 1.940 4.629 . 0 0 "[ . 1 . 2 . 3 .]" 1
661 1 41 ARG QG 1 42 LYS H . . 3.940 2.764 1.834 3.996 0.056 13 0 "[ . 1 . 2 . 3 .]" 1
662 1 42 LYS H 1 42 LYS HB3 . . 3.730 3.227 2.487 3.737 0.007 26 0 "[ . 1 . 2 . 3 .]" 1
663 1 42 LYS H 1 42 LYS QG . . 4.100 3.532 2.626 4.200 0.100 3 0 "[ . 1 . 2 . 3 .]" 1
664 1 42 LYS H 1 43 ARG H . . 5.250 4.379 4.222 4.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
665 1 42 LYS H 1 47 ALA MB . . 5.500 5.246 4.767 5.604 0.104 9 0 "[ . 1 . 2 . 3 .]" 1
666 1 42 LYS HA 1 42 LYS QD . . 3.920 3.914 3.670 4.018 0.098 30 0 "[ . 1 . 2 . 3 .]" 1
667 1 42 LYS HA 1 42 LYS QG . . 3.840 2.853 2.117 3.559 . 0 0 "[ . 1 . 2 . 3 .]" 1
668 1 42 LYS HA 1 43 ARG H . . 3.420 2.421 2.171 2.656 . 0 0 "[ . 1 . 2 . 3 .]" 1
669 1 42 LYS HB2 1 42 LYS QE . . 4.570 3.533 2.205 4.219 . 0 0 "[ . 1 . 2 . 3 .]" 1
670 1 42 LYS HB2 1 43 ARG H . . 3.620 3.163 1.927 4.016 0.396 32 0 "[ . 1 . 2 . 3 .]" 1
671 1 42 LYS HB2 1 47 ALA MB . . 4.630 3.277 2.235 4.481 . 0 0 "[ . 1 . 2 . 3 .]" 1
672 1 42 LYS HB3 1 42 LYS QE . . 4.990 3.114 1.878 4.241 . 0 0 "[ . 1 . 2 . 3 .]" 1
673 1 42 LYS HB3 1 43 ARG H . . 3.930 3.448 2.485 4.003 0.073 11 0 "[ . 1 . 2 . 3 .]" 1
674 1 42 LYS HB3 1 47 ALA MB . . 4.650 3.530 2.248 4.717 0.067 15 0 "[ . 1 . 2 . 3 .]" 1
675 1 42 LYS QE 1 43 ARG H . . 5.500 4.712 3.505 5.591 0.091 19 0 "[ . 1 . 2 . 3 .]" 1
676 1 42 LYS QE 1 47 ALA MB . . 4.980 3.707 1.944 5.101 0.121 5 0 "[ . 1 . 2 . 3 .]" 1
677 1 42 LYS QG 1 43 ARG H . . 3.790 2.796 1.956 3.866 0.076 20 0 "[ . 1 . 2 . 3 .]" 1
678 1 42 LYS QG 1 43 ARG HA . . 4.860 4.427 3.724 4.950 0.090 13 0 "[ . 1 . 2 . 3 .]" 1
679 1 42 LYS QG 1 46 GLU H . . 5.500 4.683 3.286 5.583 0.083 13 0 "[ . 1 . 2 . 3 .]" 1
680 1 42 LYS QG 1 47 ALA MB . . 3.860 2.931 1.966 3.972 0.112 22 0 "[ . 1 . 2 . 3 .]" 1
681 1 43 ARG H 1 43 ARG QB . . 3.810 2.529 2.074 2.846 . 0 0 "[ . 1 . 2 . 3 .]" 1
682 1 43 ARG H 1 43 ARG QD . . 5.500 3.928 2.544 4.949 . 0 0 "[ . 1 . 2 . 3 .]" 1
683 1 43 ARG H 1 43 ARG QG . . 3.760 3.438 2.756 3.872 0.112 19 0 "[ . 1 . 2 . 3 .]" 1
684 1 43 ARG H 1 44 LYS H . . 4.490 4.295 4.157 4.429 . 0 0 "[ . 1 . 2 . 3 .]" 1
685 1 43 ARG H 1 44 LYS HA . . 5.500 5.093 4.712 5.390 . 0 0 "[ . 1 . 2 . 3 .]" 1
686 1 43 ARG H 1 46 GLU H . . 4.500 3.286 2.867 3.854 . 0 0 "[ . 1 . 2 . 3 .]" 1
687 1 43 ARG H 1 47 ALA MB . . 5.040 3.662 2.956 4.220 . 0 0 "[ . 1 . 2 . 3 .]" 1
688 1 43 ARG H 1 48 VAL QG . . 5.500 4.701 3.536 5.574 0.074 31 0 "[ . 1 . 2 . 3 .]" 1
689 1 43 ARG HA 1 43 ARG QD . . 3.260 2.952 2.083 3.370 0.110 6 0 "[ . 1 . 2 . 3 .]" 1
690 1 43 ARG HA 1 43 ARG QG . . 3.070 2.555 2.057 3.170 0.100 29 0 "[ . 1 . 2 . 3 .]" 1
691 1 43 ARG HA 1 44 LYS H . . 3.220 2.794 2.425 3.040 . 0 0 "[ . 1 . 2 . 3 .]" 1
692 1 43 ARG HA 1 44 LYS HA . . 4.830 4.430 4.221 4.769 . 0 0 "[ . 1 . 2 . 3 .]" 1
693 1 43 ARG QB 1 43 ARG QD . . 3.240 2.286 2.021 2.726 . 0 0 "[ . 1 . 2 . 3 .]" 1
694 1 43 ARG QB 1 44 LYS H . . 3.950 2.176 1.827 3.519 . 0 0 "[ . 1 . 2 . 3 .]" 1
695 1 43 ARG QB 1 46 GLU H . . 3.800 2.672 1.936 3.185 . 0 0 "[ . 1 . 2 . 3 .]" 1
696 1 43 ARG QB 1 46 GLU HA . . 4.970 4.290 3.984 4.889 . 0 0 "[ . 1 . 2 . 3 .]" 1
697 1 43 ARG QD 1 48 VAL QG . . 4.990 4.062 2.148 5.116 0.126 21 0 "[ . 1 . 2 . 3 .]" 1
698 1 43 ARG QG 1 44 LYS H . . 4.260 3.635 1.773 4.290 0.030 2 0 "[ . 1 . 2 . 3 .]" 1
699 1 44 LYS H 1 44 LYS HB2 . . 3.110 2.386 2.072 2.770 . 0 0 "[ . 1 . 2 . 3 .]" 1
700 1 44 LYS H 1 44 LYS QD . . 4.050 3.162 1.802 4.159 0.109 5 0 "[ . 1 . 2 . 3 .]" 1
701 1 44 LYS H 1 46 GLU H . . 5.180 4.004 3.435 4.612 . 0 0 "[ . 1 . 2 . 3 .]" 1
702 1 44 LYS HA 1 45 ASP H . . 3.560 3.570 3.465 3.631 0.071 13 0 "[ . 1 . 2 . 3 .]" 1
703 1 44 LYS HA 1 46 GLU H . . 5.040 4.624 4.199 5.067 0.027 31 0 "[ . 1 . 2 . 3 .]" 1
704 1 44 LYS HB2 1 45 ASP H . . 3.230 2.700 2.083 3.935 0.705 5 1 "[ + 1 . 2 . 3 .]" 1
705 1 45 ASP H 1 45 ASP HB2 . . 3.590 3.142 2.326 3.680 0.090 34 0 "[ . 1 . 2 . 3 .]" 1
706 1 45 ASP H 1 45 ASP HB3 . . 3.710 3.347 2.421 3.798 0.088 13 0 "[ . 1 . 2 . 3 .]" 1
707 1 45 ASP H 1 46 GLU H . . 3.230 2.574 2.176 3.299 0.069 13 0 "[ . 1 . 2 . 3 .]" 1
708 1 45 ASP HA 1 45 ASP HB3 . . 3.010 2.462 2.136 3.033 0.023 8 0 "[ . 1 . 2 . 3 .]" 1
709 1 45 ASP HA 1 72 PRO QG . . 3.890 2.750 2.235 3.555 . 0 0 "[ . 1 . 2 . 3 .]" 1
710 1 45 ASP HB2 1 46 GLU H . . 4.450 4.291 3.591 4.660 0.210 19 0 "[ . 1 . 2 . 3 .]" 1
711 1 45 ASP HB2 1 72 PRO QD . . 5.290 4.708 3.778 5.378 0.088 19 0 "[ . 1 . 2 . 3 .]" 1
712 1 45 ASP HB2 1 73 TYR QE . . 4.640 3.738 2.321 4.717 0.077 33 0 "[ . 1 . 2 . 3 .]" 1
713 1 45 ASP HB3 1 46 GLU H . . 4.600 4.522 4.310 4.665 0.065 17 0 "[ . 1 . 2 . 3 .]" 1
714 1 45 ASP HB3 1 73 TYR QD . . 5.500 4.955 3.648 6.110 0.610 8 2 "[ . + 1 . -2 . 3 .]" 1
715 1 46 GLU H 1 46 GLU QB . . 3.340 2.890 2.678 3.203 . 0 0 "[ . 1 . 2 . 3 .]" 1
716 1 46 GLU H 1 47 ALA H . . 4.800 4.277 4.118 4.413 . 0 0 "[ . 1 . 2 . 3 .]" 1
717 1 46 GLU H 1 47 ALA MB . . 5.500 4.316 4.020 4.626 . 0 0 "[ . 1 . 2 . 3 .]" 1
718 1 46 GLU H 1 72 PRO QB . . 4.620 4.516 3.808 4.714 0.094 14 0 "[ . 1 . 2 . 3 .]" 1
719 1 46 GLU H 1 72 PRO QD . . 4.790 2.949 2.169 3.391 . 0 0 "[ . 1 . 2 . 3 .]" 1
720 1 46 GLU HA 1 46 GLU QG . . 3.230 2.218 2.038 2.421 . 0 0 "[ . 1 . 2 . 3 .]" 1
721 1 46 GLU HA 1 47 ALA H . . 3.060 2.485 2.346 2.691 . 0 0 "[ . 1 . 2 . 3 .]" 1
722 1 46 GLU HA 1 47 ALA MB . . 4.950 3.850 3.673 4.008 . 0 0 "[ . 1 . 2 . 3 .]" 1
723 1 46 GLU HA 1 70 PHE H . . 5.330 4.840 4.539 5.237 . 0 0 "[ . 1 . 2 . 3 .]" 1
724 1 46 GLU HA 1 71 ASP HA . . 3.530 2.431 2.184 2.728 . 0 0 "[ . 1 . 2 . 3 .]" 1
725 1 46 GLU HA 1 72 PRO QD . . 3.450 2.289 1.923 2.689 . 0 0 "[ . 1 . 2 . 3 .]" 1
726 1 46 GLU HA 1 72 PRO QG . . 4.990 3.946 3.393 4.336 . 0 0 "[ . 1 . 2 . 3 .]" 1
727 1 46 GLU QB 1 46 GLU QG . . 2.400 2.107 2.084 2.124 . 0 0 "[ . 1 . 2 . 3 .]" 1
728 1 46 GLU QB 1 47 ALA H . . 3.050 2.986 2.552 3.142 0.092 3 0 "[ . 1 . 2 . 3 .]" 1
729 1 46 GLU QB 1 47 ALA MB . . 5.100 4.485 4.291 4.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
730 1 46 GLU QB 1 70 PHE H . . 5.000 5.010 4.613 5.098 0.098 18 0 "[ . 1 . 2 . 3 .]" 1
731 1 46 GLU QB 1 78 ASN HD21 . . 4.870 4.293 3.709 4.731 . 0 0 "[ . 1 . 2 . 3 .]" 1
732 1 46 GLU QB 1 78 ASN HD22 . . 4.980 4.764 4.340 5.079 0.099 8 0 "[ . 1 . 2 . 3 .]" 1
733 1 46 GLU QG 1 47 ALA H . . 3.330 2.332 1.681 3.120 . 0 0 "[ . 1 . 2 . 3 .]" 1
734 1 46 GLU QG 1 48 VAL QG . . 3.830 3.768 3.121 3.971 0.141 3 0 "[ . 1 . 2 . 3 .]" 1
735 1 46 GLU QG 1 69 SER QB . . 4.300 3.453 2.718 4.226 . 0 0 "[ . 1 . 2 . 3 .]" 1
736 1 46 GLU QG 1 70 PHE H . . 4.230 3.430 2.754 4.269 0.039 8 0 "[ . 1 . 2 . 3 .]" 1
737 1 46 GLU QG 1 71 ASP HA . . 5.210 3.417 2.503 4.011 . 0 0 "[ . 1 . 2 . 3 .]" 1
738 1 46 GLU QG 1 72 PRO QD . . 4.730 3.862 3.291 4.262 . 0 0 "[ . 1 . 2 . 3 .]" 1
739 1 46 GLU QG 1 78 ASN HB2 . . 4.490 3.870 3.225 4.321 . 0 0 "[ . 1 . 2 . 3 .]" 1
740 1 46 GLU QG 1 78 ASN HD21 . . 4.340 2.287 1.891 2.712 . 0 0 "[ . 1 . 2 . 3 .]" 1
741 1 46 GLU QG 1 78 ASN HD22 . . 4.880 2.901 2.272 3.580 . 0 0 "[ . 1 . 2 . 3 .]" 1
742 1 47 ALA H 1 47 ALA MB . . 3.580 2.614 2.513 2.771 . 0 0 "[ . 1 . 2 . 3 .]" 1
743 1 47 ALA H 1 48 VAL H . . 4.420 4.350 4.184 4.445 0.025 26 0 "[ . 1 . 2 . 3 .]" 1
744 1 47 ALA H 1 48 VAL HA . . 5.500 4.721 4.514 4.938 . 0 0 "[ . 1 . 2 . 3 .]" 1
745 1 47 ALA H 1 48 VAL QG . . 5.500 3.692 3.353 4.330 . 0 0 "[ . 1 . 2 . 3 .]" 1
746 1 47 ALA H 1 69 SER HA . . 5.060 4.461 4.047 4.881 . 0 0 "[ . 1 . 2 . 3 .]" 1
747 1 47 ALA H 1 70 PHE H . . 3.970 2.906 2.683 3.117 . 0 0 "[ . 1 . 2 . 3 .]" 1
748 1 47 ALA H 1 70 PHE HA . . 5.500 4.782 4.607 4.857 . 0 0 "[ . 1 . 2 . 3 .]" 1
749 1 47 ALA H 1 71 ASP HA . . 4.790 3.482 3.079 3.973 . 0 0 "[ . 1 . 2 . 3 .]" 1
750 1 47 ALA H 1 72 PRO QD . . 3.880 3.363 3.042 3.651 . 0 0 "[ . 1 . 2 . 3 .]" 1
751 1 47 ALA HA 1 48 VAL H . . 3.230 2.346 2.211 2.548 . 0 0 "[ . 1 . 2 . 3 .]" 1
752 1 47 ALA HA 1 70 PHE HE1 . . 4.710 4.771 4.655 4.792 0.082 21 0 "[ . 1 . 2 . 3 .]" 1
753 1 47 ALA HA 1 70 PHE HZ . . 5.500 5.130 4.905 5.504 0.004 19 0 "[ . 1 . 2 . 3 .]" 1
754 1 47 ALA MB 1 48 VAL H . . 3.740 2.680 2.321 3.106 . 0 0 "[ . 1 . 2 . 3 .]" 1
755 1 47 ALA MB 1 48 VAL HA . . 4.950 4.074 3.850 4.317 . 0 0 "[ . 1 . 2 . 3 .]" 1
756 1 47 ALA MB 1 69 SER HA . . 5.500 5.107 4.714 5.558 0.058 14 0 "[ . 1 . 2 . 3 .]" 1
757 1 47 ALA MB 1 70 PHE H . . 4.730 3.633 3.245 3.970 . 0 0 "[ . 1 . 2 . 3 .]" 1
758 1 47 ALA MB 1 70 PHE QD . . 3.840 3.176 2.933 3.417 . 0 0 "[ . 1 . 2 . 3 .]" 1
759 1 47 ALA MB 1 70 PHE HE1 . . 3.760 2.965 2.619 3.186 . 0 0 "[ . 1 . 2 . 3 .]" 1
760 1 47 ALA MB 1 70 PHE HE2 . . 4.160 3.023 2.839 3.492 . 0 0 "[ . 1 . 2 . 3 .]" 1
761 1 47 ALA MB 1 70 PHE HZ . . 5.460 2.573 2.452 2.763 . 0 0 "[ . 1 . 2 . 3 .]" 1
762 1 47 ALA MB 1 71 ASP HA . . 5.410 3.858 3.385 4.290 . 0 0 "[ . 1 . 2 . 3 .]" 1
763 1 47 ALA MB 1 72 PRO HA . . 4.840 3.452 3.099 3.913 . 0 0 "[ . 1 . 2 . 3 .]" 1
764 1 47 ALA MB 1 72 PRO QB . . 3.820 2.803 2.177 3.461 . 0 0 "[ . 1 . 2 . 3 .]" 1
765 1 47 ALA MB 1 72 PRO QD . . 4.370 2.876 2.415 3.241 . 0 0 "[ . 1 . 2 . 3 .]" 1
766 1 47 ALA MB 1 73 TYR H . . 5.500 5.507 5.086 5.602 0.102 27 0 "[ . 1 . 2 . 3 .]" 1
767 1 48 VAL H 1 48 VAL HB . . 3.840 3.326 2.587 3.877 0.037 33 0 "[ . 1 . 2 . 3 .]" 1
768 1 48 VAL H 1 48 VAL QG . . 3.420 2.581 2.235 3.132 . 0 0 "[ . 1 . 2 . 3 .]" 1
769 1 48 VAL HA 1 48 VAL QG . . 3.290 2.220 2.080 2.434 . 0 0 "[ . 1 . 2 . 3 .]" 1
770 1 48 VAL HA 1 49 LYS H . . 3.190 2.194 2.042 2.497 . 0 0 "[ . 1 . 2 . 3 .]" 1
771 1 48 VAL HA 1 49 LYS QD . . 5.500 5.388 4.100 5.604 0.104 23 0 "[ . 1 . 2 . 3 .]" 1
772 1 48 VAL HA 1 70 PHE HE1 . . 5.110 3.057 2.575 3.662 . 0 0 "[ . 1 . 2 . 3 .]" 1
773 1 48 VAL QG 1 49 LYS H . . 3.960 3.140 2.068 3.825 . 0 0 "[ . 1 . 2 . 3 .]" 1
774 1 48 VAL QG 1 69 SER H . . 5.090 4.379 3.309 5.193 0.103 34 0 "[ . 1 . 2 . 3 .]" 1
775 1 48 VAL QG 1 69 SER HA . . 3.600 2.455 2.011 3.623 0.023 3 0 "[ . 1 . 2 . 3 .]" 1
776 1 49 LYS H 1 49 LYS QD . . 5.010 4.480 3.705 4.903 . 0 0 "[ . 1 . 2 . 3 .]" 1
777 1 49 LYS H 1 49 LYS QG . . 4.850 3.499 2.235 4.289 . 0 0 "[ . 1 . 2 . 3 .]" 1
778 1 49 LYS H 1 50 GLN HA . . 4.930 4.360 3.952 4.970 0.040 19 0 "[ . 1 . 2 . 3 .]" 1
779 1 49 LYS H 1 50 GLN QG . . 4.010 3.550 2.569 4.003 . 0 0 "[ . 1 . 2 . 3 .]" 1
780 1 49 LYS H 1 70 PHE QD . . 4.310 3.434 2.363 4.300 . 0 0 "[ . 1 . 2 . 3 .]" 1
781 1 49 LYS H 1 70 PHE HE1 . . 5.150 2.886 2.240 3.476 . 0 0 "[ . 1 . 2 . 3 .]" 1
782 1 49 LYS QD 1 70 PHE HE1 . . 3.850 2.989 2.090 3.828 . 0 0 "[ . 1 . 2 . 3 .]" 1
783 1 49 LYS QD 1 70 PHE HE2 . . 4.420 4.259 3.746 4.519 0.099 31 0 "[ . 1 . 2 . 3 .]" 1
784 1 49 LYS QG 1 70 PHE HE1 . . 4.840 2.804 1.969 4.248 . 0 0 "[ . 1 . 2 . 3 .]" 1
785 1 50 GLN H 1 50 GLN QG . . 4.860 2.990 1.997 3.866 . 0 0 "[ . 1 . 2 . 3 .]" 1
786 1 50 GLN H 1 51 TYR H . . 5.420 4.447 4.203 4.638 . 0 0 "[ . 1 . 2 . 3 .]" 1
787 1 50 GLN HB2 1 50 GLN HE21 . . 4.410 3.569 2.019 4.480 0.070 16 0 "[ . 1 . 2 . 3 .]" 1
788 1 50 GLN QG 1 51 TYR H . . 4.520 3.813 3.523 4.128 . 0 0 "[ . 1 . 2 . 3 .]" 1
789 1 50 GLN QG 1 68 ILE HB . . 4.210 3.652 2.107 4.209 . 0 0 "[ . 1 . 2 . 3 .]" 1
790 1 51 TYR H 1 51 TYR HB3 . . 4.080 3.803 3.560 3.991 . 0 0 "[ . 1 . 2 . 3 .]" 1
791 1 51 TYR H 1 51 TYR QD . . 3.610 3.015 2.760 3.293 . 0 0 "[ . 1 . 2 . 3 .]" 1
792 1 51 TYR H 1 51 TYR QE . . 4.970 4.975 4.711 5.070 0.100 5 0 "[ . 1 . 2 . 3 .]" 1
793 1 51 TYR H 1 66 VAL HB . . 4.810 3.199 2.354 4.891 0.081 32 0 "[ . 1 . 2 . 3 .]" 1
794 1 51 TYR H 1 66 VAL QG . . 5.170 3.413 2.118 4.145 . 0 0 "[ . 1 . 2 . 3 .]" 1
795 1 51 TYR HA 1 51 TYR QD . . 3.580 2.983 2.657 3.322 . 0 0 "[ . 1 . 2 . 3 .]" 1
796 1 51 TYR HA 1 51 TYR QE . . 4.910 4.591 4.292 4.930 0.020 35 0 "[ . 1 . 2 . 3 .]" 1
797 1 51 TYR HA 1 52 HIS H . . 3.170 2.423 2.243 2.692 . 0 0 "[ . 1 . 2 . 3 .]" 1
798 1 51 TYR HB2 1 52 HIS H . . 4.280 3.675 3.239 4.088 . 0 0 "[ . 1 . 2 . 3 .]" 1
799 1 51 TYR HB2 1 53 LEU QD . . 3.760 2.551 2.054 2.926 . 0 0 "[ . 1 . 2 . 3 .]" 1
800 1 51 TYR HB2 1 66 VAL HB . . 4.660 3.708 2.196 4.737 0.077 33 0 "[ . 1 . 2 . 3 .]" 1
801 1 51 TYR HB3 1 52 HIS H . . 5.270 2.547 2.190 3.177 . 0 0 "[ . 1 . 2 . 3 .]" 1
802 1 51 TYR HB3 1 53 LEU QD . . 4.040 2.671 2.117 3.684 . 0 0 "[ . 1 . 2 . 3 .]" 1
803 1 51 TYR QD 1 52 HIS H . . 4.240 3.846 3.216 4.299 0.059 14 0 "[ . 1 . 2 . 3 .]" 1
804 1 51 TYR QD 1 53 LEU QD . . 4.170 3.672 3.153 4.129 . 0 0 "[ . 1 . 2 . 3 .]" 1
805 1 51 TYR QD 1 66 VAL QG . . 4.590 3.777 2.635 4.384 . 0 0 "[ . 1 . 2 . 3 .]" 1
806 1 52 HIS H 1 52 HIS QB . . 3.670 2.458 2.150 2.651 . 0 0 "[ . 1 . 2 . 3 .]" 1
807 1 52 HIS H 1 53 LEU H . . 5.500 4.191 3.772 4.542 . 0 0 "[ . 1 . 2 . 3 .]" 1
808 1 52 HIS H 1 53 LEU QD . . 4.620 3.249 2.423 4.231 . 0 0 "[ . 1 . 2 . 3 .]" 1
809 1 52 HIS H 1 65 PHE HA . . 5.500 5.221 4.738 5.584 0.084 3 0 "[ . 1 . 2 . 3 .]" 1
810 1 52 HIS H 1 65 PHE QD . . 5.500 4.979 4.279 5.583 0.083 2 0 "[ . 1 . 2 . 3 .]" 1
811 1 52 HIS HA 1 53 LEU H . . 3.170 2.257 2.145 2.435 . 0 0 "[ . 1 . 2 . 3 .]" 1
812 1 52 HIS HA 1 65 PHE HA . . 3.810 2.750 2.302 3.458 . 0 0 "[ . 1 . 2 . 3 .]" 1
813 1 52 HIS HA 1 65 PHE QD . . 4.270 3.310 2.277 4.024 . 0 0 "[ . 1 . 2 . 3 .]" 1
814 1 52 HIS QB 1 65 PHE QD . . 4.450 2.831 2.339 3.587 . 0 0 "[ . 1 . 2 . 3 .]" 1
815 1 52 HIS QB 1 65 PHE QE . . 5.430 2.691 2.093 3.279 . 0 0 "[ . 1 . 2 . 3 .]" 1
816 1 52 HIS HD1 1 63 GLY HA2 . . 5.500 4.625 3.183 6.009 0.509 28 1 "[ . 1 . 2 . + 3 .]" 1
817 1 52 HIS HD1 1 65 PHE QD . . 5.500 3.890 2.626 5.593 0.093 17 0 "[ . 1 . 2 . 3 .]" 1
818 1 52 HIS HE1 1 63 GLY HA2 . . 4.370 3.514 2.539 4.631 0.261 22 0 "[ . 1 . 2 . 3 .]" 1
819 1 52 HIS HE1 1 63 GLY HA3 . . 4.620 2.553 1.997 3.925 . 0 0 "[ . 1 . 2 . 3 .]" 1
820 1 53 LEU H 1 53 LEU HB2 . . 4.150 2.700 2.324 3.056 . 0 0 "[ . 1 . 2 . 3 .]" 1
821 1 53 LEU H 1 53 LEU HB3 . . 4.030 3.747 3.541 3.949 . 0 0 "[ . 1 . 2 . 3 .]" 1
822 1 53 LEU H 1 53 LEU QD . . 4.000 2.549 2.256 3.237 . 0 0 "[ . 1 . 2 . 3 .]" 1
823 1 53 LEU H 1 53 LEU HG . . 4.030 3.984 3.233 4.124 0.094 34 0 "[ . 1 . 2 . 3 .]" 1
824 1 53 LEU H 1 54 THR H . . 4.630 4.401 4.028 4.671 0.041 33 0 "[ . 1 . 2 . 3 .]" 1
825 1 53 LEU H 1 55 LEU QD . . 5.500 4.799 4.103 5.230 . 0 0 "[ . 1 . 2 . 3 .]" 1
826 1 53 LEU H 1 65 PHE HA . . 4.220 3.786 3.085 4.270 0.050 15 0 "[ . 1 . 2 . 3 .]" 1
827 1 53 LEU H 1 65 PHE QD . . 5.500 5.053 4.150 5.581 0.081 23 0 "[ . 1 . 2 . 3 .]" 1
828 1 53 LEU HA 1 53 LEU QD . . 4.000 2.688 2.194 3.243 . 0 0 "[ . 1 . 2 . 3 .]" 1
829 1 53 LEU HA 1 53 LEU HG . . 4.110 3.298 2.261 3.952 . 0 0 "[ . 1 . 2 . 3 .]" 1
830 1 53 LEU HA 1 54 THR H . . 3.120 2.471 2.142 2.833 . 0 0 "[ . 1 . 2 . 3 .]" 1
831 1 53 LEU HA 1 54 THR HB . . 4.870 4.559 4.037 4.953 0.083 22 0 "[ . 1 . 2 . 3 .]" 1
832 1 53 LEU HB2 1 53 LEU QD . . 2.570 2.242 2.141 2.410 . 0 0 "[ . 1 . 2 . 3 .]" 1
833 1 53 LEU HB2 1 54 THR H . . 4.130 3.651 2.841 4.210 0.080 19 0 "[ . 1 . 2 . 3 .]" 1
834 1 53 LEU HB2 1 55 LEU QD . . 4.600 3.359 2.656 3.867 . 0 0 "[ . 1 . 2 . 3 .]" 1
835 1 53 LEU HB3 1 54 THR H . . 3.770 2.710 2.178 3.688 . 0 0 "[ . 1 . 2 . 3 .]" 1
836 1 53 LEU HB3 1 55 LEU QD . . 4.420 3.805 3.064 4.364 . 0 0 "[ . 1 . 2 . 3 .]" 1
837 1 53 LEU QD 1 54 THR H . . 4.290 3.909 3.607 4.151 . 0 0 "[ . 1 . 2 . 3 .]" 1
838 1 53 LEU QD 1 55 LEU QD . . 4.570 3.903 3.167 4.340 . 0 0 "[ . 1 . 2 . 3 .]" 1
839 1 53 LEU QD 1 66 VAL HB . . 3.700 3.385 2.855 3.749 0.049 27 0 "[ . 1 . 2 . 3 .]" 1
840 1 53 LEU QD 1 66 VAL QG . . 3.070 2.013 1.872 2.557 . 0 0 "[ . 1 . 2 . 3 .]" 1
841 1 54 THR H 1 54 THR HB . . 3.640 2.671 2.216 3.247 . 0 0 "[ . 1 . 2 . 3 .]" 1
842 1 54 THR H 1 54 THR MG . . 3.870 3.620 2.599 3.956 0.086 8 0 "[ . 1 . 2 . 3 .]" 1
843 1 54 THR HA 1 54 THR MG . . 3.090 2.633 2.302 3.192 0.102 11 0 "[ . 1 . 2 . 3 .]" 1
844 1 54 THR HA 1 55 LEU H . . 3.220 2.123 1.919 2.324 . 0 0 "[ . 1 . 2 . 3 .]" 1
845 1 54 THR HA 1 55 LEU HB2 . . 5.050 4.395 4.177 4.726 . 0 0 "[ . 1 . 2 . 3 .]" 1
846 1 54 THR HA 1 55 LEU QD . . 4.560 3.662 3.117 4.288 . 0 0 "[ . 1 . 2 . 3 .]" 1
847 1 54 THR HA 1 62 PHE H . . 5.440 4.349 3.925 4.907 . 0 0 "[ . 1 . 2 . 3 .]" 1
848 1 54 THR HA 1 63 GLY HA2 . . 4.200 2.167 2.014 2.641 . 0 0 "[ . 1 . 2 . 3 .]" 1
849 1 54 THR HA 1 63 GLY HA3 . . 3.860 3.798 2.757 3.953 0.093 1 0 "[ . 1 . 2 . 3 .]" 1
850 1 54 THR HB 1 55 LEU H . . 4.230 4.217 4.019 4.319 0.089 9 0 "[ . 1 . 2 . 3 .]" 1
851 1 54 THR MG 1 55 LEU H . . 3.240 2.979 2.567 3.329 0.089 13 0 "[ . 1 . 2 . 3 .]" 1
852 1 54 THR MG 1 55 LEU HA . . 4.510 3.990 3.406 4.436 . 0 0 "[ . 1 . 2 . 3 .]" 1
853 1 54 THR MG 1 55 LEU HB2 . . 5.060 4.731 4.379 5.143 0.083 32 0 "[ . 1 . 2 . 3 .]" 1
854 1 54 THR MG 1 61 GLU HA . . 4.630 3.859 3.116 4.638 0.008 33 0 "[ . 1 . 2 . 3 .]" 1
855 1 54 THR MG 1 61 GLU HG2 . . 4.200 2.634 2.031 4.010 . 0 0 "[ . 1 . 2 . 3 .]" 1
856 1 54 THR MG 1 61 GLU HG3 . . 4.630 3.823 2.719 4.310 . 0 0 "[ . 1 . 2 . 3 .]" 1
857 1 54 THR MG 1 62 PHE H . . 4.660 3.036 2.469 3.939 . 0 0 "[ . 1 . 2 . 3 .]" 1
858 1 54 THR MG 1 62 PHE QD . . 5.500 5.073 4.467 5.634 0.134 11 0 "[ . 1 . 2 . 3 .]" 1
859 1 54 THR MG 1 63 GLY H . . 5.500 4.550 3.330 5.594 0.094 3 0 "[ . 1 . 2 . 3 .]" 1
860 1 54 THR MG 1 63 GLY HA2 . . 5.500 3.524 2.508 4.439 . 0 0 "[ . 1 . 2 . 3 .]" 1
861 1 54 THR MG 1 63 GLY HA3 . . 5.500 4.471 3.449 5.571 0.071 13 0 "[ . 1 . 2 . 3 .]" 1
862 1 55 LEU H 1 55 LEU HB2 . . 3.700 2.408 2.209 2.672 . 0 0 "[ . 1 . 2 . 3 .]" 1
863 1 55 LEU H 1 55 LEU HB3 . . 3.900 3.618 3.492 3.779 . 0 0 "[ . 1 . 2 . 3 .]" 1
864 1 55 LEU H 1 55 LEU QD . . 3.400 2.777 2.404 3.285 . 0 0 "[ . 1 . 2 . 3 .]" 1
865 1 55 LEU H 1 62 PHE QB . . 5.500 4.903 4.639 5.442 . 0 0 "[ . 1 . 2 . 3 .]" 1
866 1 55 LEU H 1 62 PHE QD . . 5.500 4.227 3.827 4.949 . 0 0 "[ . 1 . 2 . 3 .]" 1
867 1 55 LEU H 1 63 GLY HA2 . . 4.700 3.266 2.062 3.650 . 0 0 "[ . 1 . 2 . 3 .]" 1
868 1 55 LEU H 1 63 GLY HA3 . . 5.500 4.913 3.724 5.221 . 0 0 "[ . 1 . 2 . 3 .]" 1
869 1 55 LEU H 1 64 VAL H . . 3.910 3.983 3.643 4.003 0.093 33 0 "[ . 1 . 2 . 3 .]" 1
870 1 55 LEU HA 1 55 LEU QD . . 3.140 2.436 1.971 2.975 . 0 0 "[ . 1 . 2 . 3 .]" 1
871 1 55 LEU HA 1 55 LEU HG . . 4.110 3.113 2.092 3.805 . 0 0 "[ . 1 . 2 . 3 .]" 1
872 1 55 LEU HA 1 56 ARG H . . 3.240 2.324 2.192 2.502 . 0 0 "[ . 1 . 2 . 3 .]" 1
873 1 55 LEU HA 1 56 ARG HA . . 5.290 4.528 4.417 4.629 . 0 0 "[ . 1 . 2 . 3 .]" 1
874 1 55 LEU HB2 1 56 ARG H . . 4.210 3.892 3.721 4.102 . 0 0 "[ . 1 . 2 . 3 .]" 1
875 1 55 LEU HB2 1 56 ARG HA . . 5.460 4.887 4.368 5.126 . 0 0 "[ . 1 . 2 . 3 .]" 1
876 1 55 LEU HB2 1 62 PHE H . . 4.710 4.004 3.568 4.671 . 0 0 "[ . 1 . 2 . 3 .]" 1
877 1 55 LEU HB2 1 62 PHE QD . . 4.870 3.533 3.067 3.955 . 0 0 "[ . 1 . 2 . 3 .]" 1
878 1 55 LEU HB2 1 62 PHE QE . . 4.390 3.034 2.770 3.745 . 0 0 "[ . 1 . 2 . 3 .]" 1
879 1 55 LEU HB2 1 62 PHE HZ . . 5.400 3.400 2.745 4.510 . 0 0 "[ . 1 . 2 . 3 .]" 1
880 1 55 LEU HB3 1 55 LEU QD . . 2.820 2.266 2.071 2.527 . 0 0 "[ . 1 . 2 . 3 .]" 1
881 1 55 LEU HB3 1 56 ARG H . . 3.830 2.592 2.338 2.900 . 0 0 "[ . 1 . 2 . 3 .]" 1
882 1 55 LEU HB3 1 56 ARG HA . . 4.910 4.158 3.781 4.411 . 0 0 "[ . 1 . 2 . 3 .]" 1
883 1 55 LEU HB3 1 62 PHE H . . 5.470 4.727 4.319 5.525 0.055 6 0 "[ . 1 . 2 . 3 .]" 1
884 1 55 LEU HB3 1 62 PHE QE . . 3.770 3.336 2.812 3.872 0.102 22 0 "[ . 1 . 2 . 3 .]" 1
885 1 55 LEU HB3 1 62 PHE HZ . . 4.700 3.076 2.656 3.838 . 0 0 "[ . 1 . 2 . 3 .]" 1
886 1 55 LEU QD 1 56 ARG H . . 4.250 3.086 2.751 3.507 . 0 0 "[ . 1 . 2 . 3 .]" 1
887 1 55 LEU QD 1 62 PHE QD . . 4.230 3.960 3.420 4.169 . 0 0 "[ . 1 . 2 . 3 .]" 1
888 1 55 LEU QD 1 62 PHE QE . . 3.830 3.190 2.354 3.639 . 0 0 "[ . 1 . 2 . 3 .]" 1
889 1 55 LEU QD 1 62 PHE HZ . . 4.540 3.590 2.884 3.953 . 0 0 "[ . 1 . 2 . 3 .]" 1
890 1 55 LEU QD 1 64 VAL H . . 4.120 3.630 3.245 4.128 0.008 11 0 "[ . 1 . 2 . 3 .]" 1
891 1 55 LEU QD 1 64 VAL HB . . 4.330 3.737 3.388 4.132 . 0 0 "[ . 1 . 2 . 3 .]" 1
892 1 55 LEU QD 1 64 VAL MG1 . . 3.430 2.125 1.901 2.931 . 0 0 "[ . 1 . 2 . 3 .]" 1
893 1 55 LEU QD 1 64 VAL MG2 . . 3.000 1.884 1.822 1.963 . 0 0 "[ . 1 . 2 . 3 .]" 1
894 1 55 LEU HG 1 56 ARG H . . 4.620 4.329 3.737 4.692 0.072 20 0 "[ . 1 . 2 . 3 .]" 1
895 1 56 ARG H 1 56 ARG QG . . 4.110 4.001 2.853 4.177 0.067 4 0 "[ . 1 . 2 . 3 .]" 1
896 1 56 ARG H 1 57 GLU H . . 4.680 4.221 3.910 4.427 . 0 0 "[ . 1 . 2 . 3 .]" 1
897 1 56 ARG H 1 62 PHE QE . . 5.370 4.618 3.994 5.263 . 0 0 "[ . 1 . 2 . 3 .]" 1
898 1 56 ARG H 1 62 PHE HZ . . 5.500 5.183 4.505 5.583 0.083 22 0 "[ . 1 . 2 . 3 .]" 1
899 1 56 ARG HA 1 56 ARG QD . . 5.080 3.852 2.181 4.310 . 0 0 "[ . 1 . 2 . 3 .]" 1
900 1 56 ARG HA 1 56 ARG QG . . 3.600 2.543 2.190 3.352 . 0 0 "[ . 1 . 2 . 3 .]" 1
901 1 56 ARG HA 1 57 GLU H . . 3.070 2.188 2.017 2.271 . 0 0 "[ . 1 . 2 . 3 .]" 1
902 1 56 ARG HA 1 57 GLU HB2 . . 5.500 4.786 4.417 5.771 0.271 14 0 "[ . 1 . 2 . 3 .]" 1
903 1 56 ARG HA 1 58 GLY H . . 5.500 5.420 3.716 5.586 0.086 17 0 "[ . 1 . 2 . 3 .]" 1
904 1 56 ARG HA 1 60 LYS H . . 5.050 4.748 4.207 5.124 0.074 14 0 "[ . 1 . 2 . 3 .]" 1
905 1 56 ARG HA 1 61 GLU HA . . 3.380 2.303 1.987 2.664 . 0 0 "[ . 1 . 2 . 3 .]" 1
906 1 56 ARG HA 1 61 GLU QB . . 4.360 4.120 3.727 4.441 0.081 10 0 "[ . 1 . 2 . 3 .]" 1
907 1 56 ARG HA 1 61 GLU HG2 . . 4.440 3.410 2.447 4.519 0.079 16 0 "[ . 1 . 2 . 3 .]" 1
908 1 56 ARG HA 1 61 GLU HG3 . . 4.330 2.947 2.229 3.771 . 0 0 "[ . 1 . 2 . 3 .]" 1
909 1 56 ARG HA 1 62 PHE QD . . 4.380 3.931 3.169 4.500 0.120 9 0 "[ . 1 . 2 . 3 .]" 1
910 1 56 ARG HA 1 62 PHE QE . . 5.250 3.835 2.795 4.729 . 0 0 "[ . 1 . 2 . 3 .]" 1
911 1 56 ARG QB 1 57 GLU H . . 4.800 3.750 2.897 4.027 . 0 0 "[ . 1 . 2 . 3 .]" 1
912 1 56 ARG QB 1 61 GLU HG3 . . 2.890 2.735 2.062 3.642 0.752 23 3 "[ . * 1 . 2 + . 3- .]" 1
913 1 56 ARG QD 1 61 GLU HG2 . . 4.870 3.817 2.683 4.957 0.087 32 0 "[ . 1 . 2 . 3 .]" 1
914 1 56 ARG QG 1 57 GLU H . . 3.870 2.986 2.461 3.705 . 0 0 "[ . 1 . 2 . 3 .]" 1
915 1 56 ARG QG 1 58 GLY H . . 4.660 3.608 2.215 4.343 . 0 0 "[ . 1 . 2 . 3 .]" 1
916 1 56 ARG QG 1 59 SER HA . . 5.000 4.406 3.575 5.079 0.079 8 0 "[ . 1 . 2 . 3 .]" 1
917 1 56 ARG QG 1 60 LYS H . . 5.060 3.877 3.043 5.025 . 0 0 "[ . 1 . 2 . 3 .]" 1
918 1 56 ARG QG 1 61 GLU HA . . 4.440 3.753 3.181 4.532 0.092 32 0 "[ . 1 . 2 . 3 .]" 1
919 1 56 ARG QG 1 61 GLU HG3 . . 4.490 2.772 2.122 4.270 . 0 0 "[ . 1 . 2 . 3 .]" 1
920 1 57 GLU H 1 57 GLU HB2 . . 3.860 3.190 2.872 3.768 . 0 0 "[ . 1 . 2 . 3 .]" 1
921 1 57 GLU H 1 60 LYS H . . 4.270 3.332 2.965 3.819 . 0 0 "[ . 1 . 2 . 3 .]" 1
922 1 57 GLU H 1 60 LYS HB3 . . 4.210 3.482 2.993 3.827 . 0 0 "[ . 1 . 2 . 3 .]" 1
923 1 57 GLU H 1 60 LYS HG2 . . 5.270 4.126 3.103 4.955 . 0 0 "[ . 1 . 2 . 3 .]" 1
924 1 57 GLU H 1 62 PHE QD . . 3.890 3.778 3.297 3.983 0.093 33 0 "[ . 1 . 2 . 3 .]" 1
925 1 57 GLU H 1 62 PHE QE . . 4.160 3.011 2.186 3.678 . 0 0 "[ . 1 . 2 . 3 .]" 1
926 1 57 GLU HA 1 57 GLU QG . . 3.510 2.567 2.251 3.147 . 0 0 "[ . 1 . 2 . 3 .]" 1
927 1 57 GLU HA 1 58 GLY H . . 3.030 2.224 2.038 3.115 0.085 14 0 "[ . 1 . 2 . 3 .]" 1
928 1 57 GLU HA 1 62 PHE QE . . 4.430 4.226 3.509 4.540 0.110 8 0 "[ . 1 . 2 . 3 .]" 1
929 1 57 GLU HB2 1 62 PHE QD . . 5.500 4.677 4.093 5.642 0.142 14 0 "[ . 1 . 2 . 3 .]" 1
930 1 57 GLU HB2 1 62 PHE QE . . 3.600 2.526 2.129 3.833 0.233 14 0 "[ . 1 . 2 . 3 .]" 1
931 1 57 GLU HB3 1 58 GLY H . . 4.490 4.441 4.140 4.595 0.105 26 0 "[ . 1 . 2 . 3 .]" 1
932 1 57 GLU HB3 1 62 PHE QE . . 3.750 2.546 2.210 3.004 . 0 0 "[ . 1 . 2 . 3 .]" 1
933 1 57 GLU HB3 1 62 PHE HZ . . 4.940 4.419 3.371 4.990 0.050 27 0 "[ . 1 . 2 . 3 .]" 1
934 1 57 GLU QG 1 58 GLY HA2 . . 5.500 4.640 3.962 5.236 . 0 0 "[ . 1 . 2 . 3 .]" 1
935 1 57 GLU QG 1 62 PHE QE . . 4.580 4.051 2.224 4.377 . 0 0 "[ . 1 . 2 . 3 .]" 1
936 1 58 GLY H 1 59 SER H . . 4.240 4.197 3.729 4.316 0.076 27 0 "[ . 1 . 2 . 3 .]" 1
937 1 58 GLY H 1 60 LYS H . . 5.500 4.600 3.721 4.823 . 0 0 "[ . 1 . 2 . 3 .]" 1
938 1 58 GLY HA2 1 59 SER H . . 3.430 3.455 3.339 3.507 0.077 17 0 "[ . 1 . 2 . 3 .]" 1
939 1 58 GLY HA2 1 60 LYS H . . 4.830 4.786 4.380 4.909 0.079 25 0 "[ . 1 . 2 . 3 .]" 1
940 1 58 GLY HA3 1 59 SER H . . 3.070 2.240 2.120 2.388 . 0 0 "[ . 1 . 2 . 3 .]" 1
941 1 58 GLY HA3 1 59 SER HA . . 5.500 4.467 4.356 4.581 . 0 0 "[ . 1 . 2 . 3 .]" 1
942 1 58 GLY HA3 1 60 LYS H . . 4.150 3.962 3.683 4.214 0.064 30 0 "[ . 1 . 2 . 3 .]" 1
943 1 59 SER H 1 60 LYS H . . 3.320 2.372 1.723 2.994 . 0 0 "[ . 1 . 2 . 3 .]" 1
944 1 59 SER H 1 60 LYS HB2 . . 4.960 4.496 3.908 5.019 0.059 26 0 "[ . 1 . 2 . 3 .]" 1
945 1 59 SER H 1 60 LYS HB3 . . 4.790 4.181 3.549 4.692 . 0 0 "[ . 1 . 2 . 3 .]" 1
946 1 59 SER HB2 1 60 LYS H . . 4.860 4.174 3.458 4.572 . 0 0 "[ . 1 . 2 . 3 .]" 1
947 1 59 SER HB3 1 60 LYS H . . 5.070 4.382 3.620 4.782 . 0 0 "[ . 1 . 2 . 3 .]" 1
948 1 60 LYS H 1 60 LYS HB2 . . 3.270 3.104 2.763 3.341 0.071 11 0 "[ . 1 . 2 . 3 .]" 1
949 1 60 LYS H 1 60 LYS HB3 . . 3.280 2.493 2.117 2.773 . 0 0 "[ . 1 . 2 . 3 .]" 1
950 1 60 LYS H 1 60 LYS QE . . 5.500 4.760 4.199 5.600 0.100 25 0 "[ . 1 . 2 . 3 .]" 1
951 1 60 LYS H 1 60 LYS HG2 . . 4.610 4.320 3.928 4.606 . 0 0 "[ . 1 . 2 . 3 .]" 1
952 1 60 LYS H 1 60 LYS HG3 . . 4.550 4.550 4.227 4.675 0.125 30 0 "[ . 1 . 2 . 3 .]" 1
953 1 60 LYS H 1 61 GLU H . . 4.560 4.451 4.195 4.622 0.062 9 0 "[ . 1 . 2 . 3 .]" 1
954 1 60 LYS HA 1 60 LYS HG3 . . 3.770 2.577 2.368 3.199 . 0 0 "[ . 1 . 2 . 3 .]" 1
955 1 60 LYS HA 1 61 GLU H . . 2.770 2.294 2.109 2.493 . 0 0 "[ . 1 . 2 . 3 .]" 1
956 1 60 LYS HA 1 61 GLU HA . . 4.860 4.518 4.455 4.615 . 0 0 "[ . 1 . 2 . 3 .]" 1
957 1 60 LYS HB2 1 60 LYS HG2 . . 2.810 2.940 2.610 3.051 0.241 15 0 "[ . 1 . 2 . 3 .]" 1
958 1 60 LYS HB2 1 61 GLU H . . 3.900 3.928 3.684 3.981 0.081 10 0 "[ . 1 . 2 . 3 .]" 1
959 1 60 LYS HB3 1 60 LYS QE . . 4.290 2.675 2.136 4.086 . 0 0 "[ . 1 . 2 . 3 .]" 1
960 1 60 LYS HB3 1 61 GLU H . . 4.020 3.965 3.652 4.101 0.081 25 0 "[ . 1 . 2 . 3 .]" 1
961 1 60 LYS HB3 1 62 PHE QD . . 4.260 3.869 3.168 4.333 0.073 18 0 "[ . 1 . 2 . 3 .]" 1
962 1 60 LYS QE 1 62 PHE QB . . 5.500 3.780 1.850 4.955 . 0 0 "[ . 1 . 2 . 3 .]" 1
963 1 60 LYS QE 1 62 PHE QD . . 4.760 3.374 2.280 4.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
964 1 60 LYS QE 1 62 PHE QE . . 4.930 3.979 2.391 5.038 0.108 26 0 "[ . 1 . 2 . 3 .]" 1
965 1 60 LYS HG2 1 61 GLU H . . 4.490 3.042 2.527 4.288 . 0 0 "[ . 1 . 2 . 3 .]" 1
966 1 60 LYS HG2 1 62 PHE HA . . 5.460 4.954 4.535 5.530 0.070 25 0 "[ . 1 . 2 . 3 .]" 1
967 1 60 LYS HG2 1 62 PHE QB . . 4.470 3.278 2.830 3.901 . 0 0 "[ . 1 . 2 . 3 .]" 1
968 1 60 LYS HG2 1 62 PHE QD . . 3.560 2.282 2.029 3.102 . 0 0 "[ . 1 . 2 . 3 .]" 1
969 1 60 LYS HG2 1 62 PHE QE . . 5.200 3.848 3.244 4.377 . 0 0 "[ . 1 . 2 . 3 .]" 1
970 1 60 LYS HG3 1 61 GLU H . . 4.260 2.188 1.795 2.784 . 0 0 "[ . 1 . 2 . 3 .]" 1
971 1 60 LYS HG3 1 62 PHE HA . . 5.100 5.032 4.402 5.519 0.419 10 0 "[ . 1 . 2 . 3 .]" 1
972 1 60 LYS HG3 1 62 PHE QD . . 4.260 3.596 2.220 3.930 . 0 0 "[ . 1 . 2 . 3 .]" 1
973 1 60 LYS HG3 1 62 PHE QE . . 5.500 5.387 4.138 5.589 0.089 17 0 "[ . 1 . 2 . 3 .]" 1
974 1 61 GLU H 1 61 GLU QB . . 3.000 2.623 2.401 2.799 . 0 0 "[ . 1 . 2 . 3 .]" 1
975 1 61 GLU H 1 62 PHE H . . 4.470 4.289 4.154 4.441 . 0 0 "[ . 1 . 2 . 3 .]" 1
976 1 61 GLU H 1 62 PHE QB . . 5.200 4.525 4.024 4.881 . 0 0 "[ . 1 . 2 . 3 .]" 1
977 1 61 GLU H 1 62 PHE QD . . 5.250 4.032 3.566 4.414 . 0 0 "[ . 1 . 2 . 3 .]" 1
978 1 61 GLU HA 1 61 GLU HG2 . . 3.790 2.707 2.168 3.494 . 0 0 "[ . 1 . 2 . 3 .]" 1
979 1 61 GLU HA 1 61 GLU HG3 . . 3.830 2.448 2.123 2.941 . 0 0 "[ . 1 . 2 . 3 .]" 1
980 1 61 GLU HA 1 62 PHE H . . 2.930 2.267 2.102 2.455 . 0 0 "[ . 1 . 2 . 3 .]" 1
981 1 61 GLU HA 1 62 PHE HA . . 5.200 4.533 4.432 4.651 . 0 0 "[ . 1 . 2 . 3 .]" 1
982 1 61 GLU HA 1 62 PHE QD . . 3.640 3.091 2.512 3.661 0.021 10 0 "[ . 1 . 2 . 3 .]" 1
983 1 61 GLU HA 1 62 PHE QE . . 5.500 4.374 3.674 4.957 . 0 0 "[ . 1 . 2 . 3 .]" 1
984 1 61 GLU QB 1 62 PHE H . . 3.680 3.022 2.514 3.772 0.092 28 0 "[ . 1 . 2 . 3 .]" 1
985 1 61 GLU QB 1 62 PHE HA . . 5.070 4.140 3.831 4.702 . 0 0 "[ . 1 . 2 . 3 .]" 1
986 1 61 GLU HG2 1 62 PHE H . . 4.480 3.580 2.604 4.510 0.030 33 0 "[ . 1 . 2 . 3 .]" 1
987 1 61 GLU HG3 1 62 PHE H . . 3.930 4.142 3.081 4.558 0.628 22 14 "[ *- .* * * * * *2 +* * *3* *.]" 1
988 1 62 PHE H 1 62 PHE QD . . 3.270 2.932 2.569 3.319 0.049 33 0 "[ . 1 . 2 . 3 .]" 1
989 1 62 PHE H 1 62 PHE QE . . 5.050 4.429 4.174 4.768 . 0 0 "[ . 1 . 2 . 3 .]" 1
990 1 62 PHE HA 1 62 PHE QD . . 3.700 3.764 3.728 3.797 0.097 23 0 "[ . 1 . 2 . 3 .]" 1
991 1 62 PHE HA 1 63 GLY H . . 3.200 2.332 2.099 2.828 . 0 0 "[ . 1 . 2 . 3 .]" 1
992 1 62 PHE HA 1 63 GLY HA2 . . 4.550 4.439 4.358 4.585 0.035 6 0 "[ . 1 . 2 . 3 .]" 1
993 1 62 PHE HA 1 85 GLU QG . . 5.500 4.893 3.536 5.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
994 1 62 PHE HA 1 87 GLN QE . . 5.500 4.390 3.193 5.282 . 0 0 "[ . 1 . 2 . 3 .]" 1
995 1 62 PHE QB 1 63 GLY H . . 3.590 2.811 2.129 3.401 . 0 0 "[ . 1 . 2 . 3 .]" 1
996 1 62 PHE QB 1 87 GLN QE . . 5.500 3.990 3.004 4.751 . 0 0 "[ . 1 . 2 . 3 .]" 1
997 1 62 PHE QD 1 63 GLY H . . 4.670 4.048 3.184 4.729 0.059 19 0 "[ . 1 . 2 . 3 .]" 1
998 1 62 PHE QD 1 63 GLY HA2 . . 5.500 4.707 4.102 5.321 . 0 0 "[ . 1 . 2 . 3 .]" 1
999 1 62 PHE QD 1 64 VAL MG1 . . 3.520 2.428 1.971 3.211 . 0 0 "[ . 1 . 2 . 3 .]" 1
1000 1 62 PHE QD 1 84 GLU HA . . 4.750 4.463 3.778 4.831 0.081 13 0 "[ . 1 . 2 . 3 .]" 1
1001 1 62 PHE QD 1 84 GLU QB . . 4.880 4.659 3.552 4.995 0.115 18 0 "[ . 1 . 2 . 3 .]" 1
1002 1 62 PHE QD 1 84 GLU HG2 . . 4.290 2.868 2.425 4.038 . 0 0 "[ . 1 . 2 . 3 .]" 1
1003 1 62 PHE QD 1 84 GLU HG3 . . 3.960 3.567 2.833 4.383 0.423 7 0 "[ . 1 . 2 . 3 .]" 1
1004 1 62 PHE QD 1 85 GLU H . . 4.730 3.754 3.090 4.487 . 0 0 "[ . 1 . 2 . 3 .]" 1
1005 1 62 PHE QE 1 64 VAL MG1 . . 3.580 2.630 2.135 3.671 0.091 13 0 "[ . 1 . 2 . 3 .]" 1
1006 1 62 PHE QE 1 84 GLU QB . . 5.240 4.761 3.793 5.317 0.077 13 0 "[ . 1 . 2 . 3 .]" 1
1007 1 62 PHE QE 1 84 GLU HG2 . . 4.880 3.480 2.317 4.116 . 0 0 "[ . 1 . 2 . 3 .]" 1
1008 1 62 PHE QE 1 84 GLU HG3 . . 5.390 3.172 2.422 4.278 . 0 0 "[ . 1 . 2 . 3 .]" 1
1009 1 63 GLY H 1 85 GLU HB2 . . 5.140 4.089 2.945 5.291 0.151 7 0 "[ . 1 . 2 . 3 .]" 1
1010 1 63 GLY H 1 85 GLU HB3 . . 5.390 3.091 2.173 4.421 . 0 0 "[ . 1 . 2 . 3 .]" 1
1011 1 63 GLY H 1 87 GLN QE . . 5.500 4.515 3.679 5.320 . 0 0 "[ . 1 . 2 . 3 .]" 1
1012 1 63 GLY HA2 1 64 VAL H . . 3.520 2.250 2.049 2.455 . 0 0 "[ . 1 . 2 . 3 .]" 1
1013 1 63 GLY HA2 1 64 VAL MG2 . . 5.500 3.931 3.507 4.387 . 0 0 "[ . 1 . 2 . 3 .]" 1
1014 1 63 GLY HA2 1 85 GLU H . . 5.500 5.430 5.039 5.920 0.420 7 0 "[ . 1 . 2 . 3 .]" 1
1015 1 63 GLY HA3 1 64 VAL H . . 3.320 3.098 2.662 3.381 0.061 19 0 "[ . 1 . 2 . 3 .]" 1
1016 1 63 GLY HA3 1 64 VAL MG2 . . 5.500 4.936 4.455 5.305 . 0 0 "[ . 1 . 2 . 3 .]" 1
1017 1 63 GLY HA3 1 85 GLU HB2 . . 5.450 4.128 2.973 5.323 . 0 0 "[ . 1 . 2 . 3 .]" 1
1018 1 64 VAL H 1 64 VAL HB . . 3.770 3.813 3.543 3.861 0.091 28 0 "[ . 1 . 2 . 3 .]" 1
1019 1 64 VAL H 1 64 VAL MG2 . . 3.310 2.306 2.027 2.593 . 0 0 "[ . 1 . 2 . 3 .]" 1
1020 1 64 VAL H 1 65 PHE H . . 5.220 4.475 4.221 4.594 . 0 0 "[ . 1 . 2 . 3 .]" 1
1021 1 64 VAL HA 1 64 VAL MG1 . . 3.200 2.403 2.187 2.643 . 0 0 "[ . 1 . 2 . 3 .]" 1
1022 1 64 VAL HA 1 64 VAL MG2 . . 3.590 3.246 3.207 3.269 . 0 0 "[ . 1 . 2 . 3 .]" 1
1023 1 64 VAL HA 1 65 PHE H . . 3.160 2.327 2.070 2.563 . 0 0 "[ . 1 . 2 . 3 .]" 1
1024 1 64 VAL HA 1 65 PHE QB . . 5.150 4.322 4.116 4.544 . 0 0 "[ . 1 . 2 . 3 .]" 1
1025 1 64 VAL HA 1 65 PHE QD . . 4.930 3.595 2.831 4.230 . 0 0 "[ . 1 . 2 . 3 .]" 1
1026 1 64 VAL HA 1 65 PHE QE . . 5.500 4.770 3.893 5.474 . 0 0 "[ . 1 . 2 . 3 .]" 1
1027 1 64 VAL HA 1 85 GLU H . . 3.620 2.853 2.592 3.228 . 0 0 "[ . 1 . 2 . 3 .]" 1
1028 1 64 VAL HB 1 65 PHE H . . 3.370 2.641 2.153 3.393 0.023 2 0 "[ . 1 . 2 . 3 .]" 1
1029 1 64 VAL HB 1 65 PHE HA . . 5.430 4.723 4.258 5.078 . 0 0 "[ . 1 . 2 . 3 .]" 1
1030 1 64 VAL HB 1 83 LEU H . . 4.330 3.970 3.570 4.390 0.060 33 0 "[ . 1 . 2 . 3 .]" 1
1031 1 64 VAL HB 1 84 GLU HA . . 4.270 2.932 2.051 3.623 . 0 0 "[ . 1 . 2 . 3 .]" 1
1032 1 64 VAL MG1 1 65 PHE H . . 4.290 3.818 3.425 4.073 . 0 0 "[ . 1 . 2 . 3 .]" 1
1033 1 64 VAL MG1 1 84 GLU HA . . 3.060 2.250 1.956 2.714 . 0 0 "[ . 1 . 2 . 3 .]" 1
1034 1 64 VAL MG1 1 84 GLU QB . . 4.120 3.307 2.608 3.836 . 0 0 "[ . 1 . 2 . 3 .]" 1
1035 1 64 VAL MG1 1 84 GLU HG2 . . 4.100 2.470 2.230 3.043 . 0 0 "[ . 1 . 2 . 3 .]" 1
1036 1 64 VAL MG1 1 84 GLU HG3 . . 4.080 2.192 1.968 2.858 . 0 0 "[ . 1 . 2 . 3 .]" 1
1037 1 64 VAL MG1 1 85 GLU H . . 3.570 2.823 2.080 3.354 . 0 0 "[ . 1 . 2 . 3 .]" 1
1038 1 64 VAL MG2 1 65 PHE H . . 4.080 3.498 2.888 4.119 0.039 2 0 "[ . 1 . 2 . 3 .]" 1
1039 1 64 VAL MG2 1 84 GLU HG2 . . 5.010 5.095 5.043 5.118 0.108 9 0 "[ . 1 . 2 . 3 .]" 1
1040 1 64 VAL MG2 1 84 GLU HG3 . . 4.970 4.427 3.841 5.059 0.089 21 0 "[ . 1 . 2 . 3 .]" 1
1041 1 64 VAL MG2 1 85 GLU H . . 5.500 5.123 4.648 5.549 0.049 5 0 "[ . 1 . 2 . 3 .]" 1
1042 1 65 PHE H 1 65 PHE QB . . 3.860 2.577 2.320 2.790 . 0 0 "[ . 1 . 2 . 3 .]" 1
1043 1 65 PHE H 1 65 PHE QD . . 3.960 3.049 2.609 3.553 . 0 0 "[ . 1 . 2 . 3 .]" 1
1044 1 65 PHE H 1 83 LEU H . . 3.930 3.326 2.856 4.001 0.071 16 0 "[ . 1 . 2 . 3 .]" 1
1045 1 65 PHE H 1 83 LEU QB . . 3.750 2.773 2.366 3.151 . 0 0 "[ . 1 . 2 . 3 .]" 1
1046 1 65 PHE H 1 83 LEU QD . . 4.760 3.180 2.566 3.830 . 0 0 "[ . 1 . 2 . 3 .]" 1
1047 1 65 PHE H 1 83 LEU HG . . 4.880 4.854 4.511 4.962 0.082 3 0 "[ . 1 . 2 . 3 .]" 1
1048 1 65 PHE H 1 84 GLU HA . . 4.590 3.383 2.974 4.011 . 0 0 "[ . 1 . 2 . 3 .]" 1
1049 1 65 PHE H 1 85 GLU H . . 4.540 4.588 4.428 4.622 0.082 8 0 "[ . 1 . 2 . 3 .]" 1
1050 1 65 PHE HA 1 65 PHE QD . . 3.800 2.769 2.302 3.138 . 0 0 "[ . 1 . 2 . 3 .]" 1
1051 1 65 PHE HA 1 66 VAL H . . 3.120 2.322 2.119 2.590 . 0 0 "[ . 1 . 2 . 3 .]" 1
1052 1 65 PHE HA 1 66 VAL HA . . 5.500 4.508 4.403 4.587 . 0 0 "[ . 1 . 2 . 3 .]" 1
1053 1 65 PHE HA 1 66 VAL QG . . 4.130 3.383 2.783 4.004 . 0 0 "[ . 1 . 2 . 3 .]" 1
1054 1 65 PHE QB 1 66 VAL H . . 4.510 2.931 2.072 3.835 . 0 0 "[ . 1 . 2 . 3 .]" 1
1055 1 65 PHE QB 1 83 LEU H . . 4.540 3.988 3.511 4.365 . 0 0 "[ . 1 . 2 . 3 .]" 1
1056 1 65 PHE QB 1 83 LEU QB . . 3.690 2.058 1.932 2.186 . 0 0 "[ . 1 . 2 . 3 .]" 1
1057 1 65 PHE QB 1 83 LEU QD . . 4.130 2.449 2.081 2.777 . 0 0 "[ . 1 . 2 . 3 .]" 1
1058 1 65 PHE QB 1 83 LEU HG . . 4.260 3.614 2.602 4.248 . 0 0 "[ . 1 . 2 . 3 .]" 1
1059 1 65 PHE QD 1 66 VAL H . . 4.850 3.998 3.394 4.619 . 0 0 "[ . 1 . 2 . 3 .]" 1
1060 1 65 PHE QD 1 83 LEU H . . 5.500 5.461 5.109 5.593 0.093 10 0 "[ . 1 . 2 . 3 .]" 1
1061 1 65 PHE QD 1 83 LEU QB . . 4.050 3.410 2.647 3.572 . 0 0 "[ . 1 . 2 . 3 .]" 1
1062 1 65 PHE QD 1 83 LEU QD . . 4.650 2.109 1.925 2.362 . 0 0 "[ . 1 . 2 . 3 .]" 1
1063 1 65 PHE QD 1 83 LEU HG . . 4.680 4.181 3.506 4.709 0.029 31 0 "[ . 1 . 2 . 3 .]" 1
1064 1 65 PHE QD 1 84 GLU HA . . 4.780 4.607 3.785 4.875 0.095 16 0 "[ . 1 . 2 . 3 .]" 1
1065 1 65 PHE QD 1 85 GLU H . . 5.280 4.590 3.742 5.329 0.049 2 0 "[ . 1 . 2 . 3 .]" 1
1066 1 65 PHE QD 1 85 GLU HA . . 4.880 4.662 3.571 4.971 0.091 34 0 "[ . 1 . 2 . 3 .]" 1
1067 1 65 PHE QE 1 85 GLU QG . . 5.210 4.388 3.216 5.087 . 0 0 "[ . 1 . 2 . 3 .]" 1
1068 1 66 VAL H 1 66 VAL HB . . 3.530 2.669 2.185 3.550 0.020 25 0 "[ . 1 . 2 . 3 .]" 1
1069 1 66 VAL H 1 66 VAL QG . . 3.480 2.473 1.725 2.928 . 0 0 "[ . 1 . 2 . 3 .]" 1
1070 1 66 VAL HA 1 66 VAL QG . . 2.990 2.170 2.052 2.383 . 0 0 "[ . 1 . 2 . 3 .]" 1
1071 1 66 VAL HA 1 67 THR H . . 3.220 2.255 2.114 2.520 . 0 0 "[ . 1 . 2 . 3 .]" 1
1072 1 66 VAL HA 1 67 THR HB . . 4.810 4.583 4.053 4.877 0.067 15 0 "[ . 1 . 2 . 3 .]" 1
1073 1 66 VAL HA 1 83 LEU H . . 5.030 3.405 2.890 4.016 . 0 0 "[ . 1 . 2 . 3 .]" 1
1074 1 66 VAL HB 1 67 THR H . . 5.450 4.200 3.837 4.466 . 0 0 "[ . 1 . 2 . 3 .]" 1
1075 1 66 VAL QG 1 67 THR H . . 3.250 2.640 2.174 3.233 . 0 0 "[ . 1 . 2 . 3 .]" 1
1076 1 66 VAL QG 1 81 ALA H . . 4.730 4.061 3.350 4.605 . 0 0 "[ . 1 . 2 . 3 .]" 1
1077 1 66 VAL QG 1 83 LEU H . . 4.900 4.104 3.537 4.729 . 0 0 "[ . 1 . 2 . 3 .]" 1
1078 1 67 THR H 1 67 THR HB . . 3.910 2.593 2.241 3.058 . 0 0 "[ . 1 . 2 . 3 .]" 1
1079 1 67 THR H 1 80 ILE MG . . 4.250 3.972 3.455 4.335 0.085 15 0 "[ . 1 . 2 . 3 .]" 1
1080 1 67 THR H 1 81 ALA H . . 3.970 3.208 2.817 3.811 . 0 0 "[ . 1 . 2 . 3 .]" 1
1081 1 67 THR H 1 81 ALA MB . . 4.060 3.918 3.558 4.137 0.077 3 0 "[ . 1 . 2 . 3 .]" 1
1082 1 67 THR H 1 82 ILE H . . 5.500 4.649 4.381 4.959 . 0 0 "[ . 1 . 2 . 3 .]" 1
1083 1 67 THR H 1 82 ILE HA . . 4.450 3.032 2.602 3.545 . 0 0 "[ . 1 . 2 . 3 .]" 1
1084 1 67 THR H 1 82 ILE MD . . 5.030 3.714 3.197 5.120 0.090 14 0 "[ . 1 . 2 . 3 .]" 1
1085 1 67 THR H 1 82 ILE HG12 . . 5.050 4.432 3.455 5.107 0.057 10 0 "[ . 1 . 2 . 3 .]" 1
1086 1 67 THR HB 1 68 ILE H . . 5.060 4.342 3.945 4.559 . 0 0 "[ . 1 . 2 . 3 .]" 1
1087 1 67 THR HB 1 81 ALA H . . 4.170 2.718 2.134 4.231 0.061 14 0 "[ . 1 . 2 . 3 .]" 1
1088 1 67 THR HB 1 81 ALA MB . . 3.190 2.276 2.073 3.297 0.107 14 0 "[ . 1 . 2 . 3 .]" 1
1089 1 67 THR HB 1 82 ILE H . . 5.500 4.516 3.810 5.575 0.075 22 0 "[ . 1 . 2 . 3 .]" 1
1090 1 67 THR MG 1 81 ALA H . . 4.210 3.411 1.938 4.263 0.053 11 0 "[ . 1 . 2 . 3 .]" 1
1091 1 68 ILE H 1 68 ILE HB . . 3.490 2.672 2.309 2.938 . 0 0 "[ . 1 . 2 . 3 .]" 1
1092 1 68 ILE H 1 68 ILE QG . . 3.960 2.977 2.328 3.316 . 0 0 "[ . 1 . 2 . 3 .]" 1
1093 1 68 ILE H 1 68 ILE MG . . 3.910 3.866 3.732 3.956 0.046 14 0 "[ . 1 . 2 . 3 .]" 1
1094 1 68 ILE H 1 69 SER H . . 4.380 4.066 3.762 4.441 0.061 23 0 "[ . 1 . 2 . 3 .]" 1
1095 1 68 ILE HA 1 68 ILE MD . . 4.150 3.916 3.821 3.997 . 0 0 "[ . 1 . 2 . 3 .]" 1
1096 1 68 ILE HA 1 68 ILE QG . . 3.900 2.478 2.343 2.626 . 0 0 "[ . 1 . 2 . 3 .]" 1
1097 1 68 ILE HA 1 68 ILE MG . . 3.150 2.439 2.261 2.559 . 0 0 "[ . 1 . 2 . 3 .]" 1
1098 1 68 ILE HA 1 69 SER H . . 3.140 2.205 2.125 2.283 . 0 0 "[ . 1 . 2 . 3 .]" 1
1099 1 68 ILE HA 1 69 SER QB . . 4.880 4.455 4.201 4.724 . 0 0 "[ . 1 . 2 . 3 .]" 1
1100 1 68 ILE HA 1 80 ILE HA . . 3.690 2.526 2.295 2.779 . 0 0 "[ . 1 . 2 . 3 .]" 1
1101 1 68 ILE HA 1 80 ILE MD . . 4.170 4.080 1.872 4.281 0.111 3 0 "[ . 1 . 2 . 3 .]" 1
1102 1 68 ILE HA 1 80 ILE HG12 . . 4.510 2.788 2.329 4.417 . 0 0 "[ . 1 . 2 . 3 .]" 1
1103 1 68 ILE HA 1 80 ILE HG13 . . 5.070 4.119 3.557 4.603 . 0 0 "[ . 1 . 2 . 3 .]" 1
1104 1 68 ILE HA 1 80 ILE MG . . 4.300 3.298 2.573 3.953 . 0 0 "[ . 1 . 2 . 3 .]" 1
1105 1 68 ILE HA 1 81 ALA H . . 4.580 3.896 3.610 4.121 . 0 0 "[ . 1 . 2 . 3 .]" 1
1106 1 68 ILE HB 1 68 ILE MD . . 3.230 2.421 2.265 2.597 . 0 0 "[ . 1 . 2 . 3 .]" 1
1107 1 68 ILE HB 1 69 SER H . . 4.420 4.370 4.169 4.486 0.066 19 0 "[ . 1 . 2 . 3 .]" 1
1108 1 68 ILE HB 1 70 PHE QD . . 5.120 4.204 3.706 4.454 . 0 0 "[ . 1 . 2 . 3 .]" 1
1109 1 68 ILE QG 1 69 SER H . . 4.420 4.345 4.153 4.491 0.071 20 0 "[ . 1 . 2 . 3 .]" 1
1110 1 68 ILE QG 1 80 ILE HA . . 4.550 3.676 3.231 4.246 . 0 0 "[ . 1 . 2 . 3 .]" 1
1111 1 68 ILE MG 1 69 SER H . . 3.300 3.058 2.636 3.391 0.091 34 0 "[ . 1 . 2 . 3 .]" 1
1112 1 68 ILE MG 1 69 SER HA . . 4.480 3.882 3.461 4.198 . 0 0 "[ . 1 . 2 . 3 .]" 1
1113 1 68 ILE MG 1 70 PHE H . . 5.320 4.133 3.749 4.554 . 0 0 "[ . 1 . 2 . 3 .]" 1
1114 1 68 ILE MG 1 70 PHE HA . . 5.110 4.438 4.005 4.901 . 0 0 "[ . 1 . 2 . 3 .]" 1
1115 1 68 ILE MG 1 70 PHE HB3 . . 4.400 2.761 2.237 3.452 . 0 0 "[ . 1 . 2 . 3 .]" 1
1116 1 68 ILE MG 1 70 PHE QD . . 3.250 2.737 2.348 3.316 0.066 31 0 "[ . 1 . 2 . 3 .]" 1
1117 1 68 ILE MG 1 79 LYS H . . 5.310 4.712 4.374 5.241 . 0 0 "[ . 1 . 2 . 3 .]" 1
1118 1 68 ILE MG 1 80 ILE HA . . 4.200 4.110 3.785 4.301 0.101 29 0 "[ . 1 . 2 . 3 .]" 1
1119 1 68 ILE MG 1 80 ILE MD . . 4.530 3.157 2.037 3.635 . 0 0 "[ . 1 . 2 . 3 .]" 1
1120 1 69 SER H 1 69 SER QB . . 3.420 2.512 2.187 2.792 . 0 0 "[ . 1 . 2 . 3 .]" 1
1121 1 69 SER H 1 70 PHE QD . . 5.500 4.736 4.168 5.305 . 0 0 "[ . 1 . 2 . 3 .]" 1
1122 1 69 SER H 1 77 VAL QG . . 4.790 3.525 2.959 4.273 . 0 0 "[ . 1 . 2 . 3 .]" 1
1123 1 69 SER H 1 78 ASN H . . 5.020 4.334 3.965 4.709 . 0 0 "[ . 1 . 2 . 3 .]" 1
1124 1 69 SER H 1 79 LYS H . . 3.930 3.124 2.823 3.399 . 0 0 "[ . 1 . 2 . 3 .]" 1
1125 1 69 SER H 1 80 ILE HA . . 4.540 3.317 3.033 3.643 . 0 0 "[ . 1 . 2 . 3 .]" 1
1126 1 69 SER HA 1 70 PHE H . . 3.200 2.253 2.185 2.380 . 0 0 "[ . 1 . 2 . 3 .]" 1
1127 1 69 SER HA 1 70 PHE QD . . 3.970 3.379 2.970 3.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
1128 1 69 SER HA 1 70 PHE HE1 . . 5.500 5.083 4.371 5.565 0.065 34 0 "[ . 1 . 2 . 3 .]" 1
1129 1 69 SER HA 1 79 LYS H . . 5.500 4.709 4.508 4.922 . 0 0 "[ . 1 . 2 . 3 .]" 1
1130 1 69 SER QB 1 70 PHE H . . 3.980 3.311 2.898 3.793 . 0 0 "[ . 1 . 2 . 3 .]" 1
1131 1 69 SER QB 1 70 PHE HA . . 4.850 4.196 3.917 4.486 . 0 0 "[ . 1 . 2 . 3 .]" 1
1132 1 69 SER QB 1 77 VAL QG . . 4.760 4.325 3.817 4.746 . 0 0 "[ . 1 . 2 . 3 .]" 1
1133 1 69 SER QB 1 78 ASN H . . 4.610 3.710 3.371 4.004 . 0 0 "[ . 1 . 2 . 3 .]" 1
1134 1 69 SER QB 1 78 ASN HB2 . . 3.890 2.615 2.380 2.912 . 0 0 "[ . 1 . 2 . 3 .]" 1
1135 1 69 SER QB 1 78 ASN HB3 . . 4.020 3.742 3.188 4.103 0.083 16 0 "[ . 1 . 2 . 3 .]" 1
1136 1 69 SER QB 1 78 ASN HD21 . . 5.200 3.609 3.293 3.804 . 0 0 "[ . 1 . 2 . 3 .]" 1
1137 1 69 SER QB 1 78 ASN HD22 . . 5.130 5.131 4.828 5.223 0.093 13 0 "[ . 1 . 2 . 3 .]" 1
1138 1 69 SER QB 1 79 LYS H . . 3.430 2.495 2.111 2.937 . 0 0 "[ . 1 . 2 . 3 .]" 1
1139 1 69 SER QB 1 79 LYS QB . . 3.220 2.748 2.257 3.320 0.100 31 0 "[ . 1 . 2 . 3 .]" 1
1140 1 69 SER QB 1 79 LYS QG . . 4.670 4.210 2.149 4.777 0.107 29 0 "[ . 1 . 2 . 3 .]" 1
1141 1 69 SER QB 1 80 ILE H . . 5.500 5.261 4.881 5.573 0.073 18 0 "[ . 1 . 2 . 3 .]" 1
1142 1 70 PHE H 1 70 PHE QD . . 3.540 2.596 2.379 2.841 . 0 0 "[ . 1 . 2 . 3 .]" 1
1143 1 70 PHE H 1 70 PHE HE1 . . 5.500 4.379 4.108 4.650 . 0 0 "[ . 1 . 2 . 3 .]" 1
1144 1 70 PHE H 1 71 ASP H . . 5.140 4.355 4.245 4.441 . 0 0 "[ . 1 . 2 . 3 .]" 1
1145 1 70 PHE H 1 77 VAL HA . . 5.500 4.864 4.553 5.259 . 0 0 "[ . 1 . 2 . 3 .]" 1
1146 1 70 PHE H 1 78 ASN H . . 5.500 4.305 4.043 4.517 . 0 0 "[ . 1 . 2 . 3 .]" 1
1147 1 70 PHE H 1 78 ASN HD21 . . 5.500 3.722 2.965 4.389 . 0 0 "[ . 1 . 2 . 3 .]" 1
1148 1 70 PHE H 1 78 ASN HD22 . . 5.500 4.929 3.953 5.555 0.055 24 0 "[ . 1 . 2 . 3 .]" 1
1149 1 70 PHE HA 1 70 PHE QD . . 3.680 3.746 3.714 3.759 0.079 6 0 "[ . 1 . 2 . 3 .]" 1
1150 1 70 PHE HA 1 71 ASP H . . 3.300 2.464 2.223 2.711 . 0 0 "[ . 1 . 2 . 3 .]" 1
1151 1 70 PHE HA 1 71 ASP HB2 . . 4.640 4.194 3.648 5.562 0.922 9 3 "[ . +1 . 2 * 3 - .]" 1
1152 1 70 PHE HA 1 76 LYS H . . 5.500 4.894 4.465 5.420 . 0 0 "[ . 1 . 2 . 3 .]" 1
1153 1 70 PHE HA 1 77 VAL H . . 5.500 4.760 4.508 5.021 . 0 0 "[ . 1 . 2 . 3 .]" 1
1154 1 70 PHE HA 1 77 VAL HA . . 3.420 2.315 2.000 2.828 . 0 0 "[ . 1 . 2 . 3 .]" 1
1155 1 70 PHE HA 1 77 VAL QG . . 4.320 3.627 3.087 4.039 . 0 0 "[ . 1 . 2 . 3 .]" 1
1156 1 70 PHE HA 1 78 ASN H . . 3.410 2.112 1.863 2.431 . 0 0 "[ . 1 . 2 . 3 .]" 1
1157 1 70 PHE HA 1 78 ASN HB2 . . 4.530 3.362 2.823 3.781 . 0 0 "[ . 1 . 2 . 3 .]" 1
1158 1 70 PHE HA 1 78 ASN HD21 . . 5.260 3.147 2.537 3.673 . 0 0 "[ . 1 . 2 . 3 .]" 1
1159 1 70 PHE HA 1 78 ASN HD22 . . 5.230 3.675 3.116 4.223 . 0 0 "[ . 1 . 2 . 3 .]" 1
1160 1 70 PHE HA 1 79 LYS H . . 4.410 4.080 3.805 4.389 . 0 0 "[ . 1 . 2 . 3 .]" 1
1161 1 70 PHE HB2 1 71 ASP H . . 3.840 2.343 1.988 2.712 . 0 0 "[ . 1 . 2 . 3 .]" 1
1162 1 70 PHE HB2 1 75 GLN HA . . 5.270 3.101 2.497 3.538 . 0 0 "[ . 1 . 2 . 3 .]" 1
1163 1 70 PHE HB2 1 77 VAL HA . . 3.800 2.793 2.480 3.299 . 0 0 "[ . 1 . 2 . 3 .]" 1
1164 1 70 PHE HB2 1 78 ASN H . . 4.400 4.059 3.808 4.335 . 0 0 "[ . 1 . 2 . 3 .]" 1
1165 1 70 PHE HB3 1 71 ASP H . . 3.910 3.755 3.505 3.962 0.052 7 0 "[ . 1 . 2 . 3 .]" 1
1166 1 70 PHE HB3 1 77 VAL H . . 5.500 5.166 4.633 5.545 0.045 35 0 "[ . 1 . 2 . 3 .]" 1
1167 1 70 PHE HB3 1 77 VAL HA . . 3.870 2.738 2.433 2.918 . 0 0 "[ . 1 . 2 . 3 .]" 1
1168 1 70 PHE HB3 1 77 VAL HB . . 5.500 4.422 3.002 5.597 0.097 2 0 "[ . 1 . 2 . 3 .]" 1
1169 1 70 PHE HB3 1 78 ASN H . . 3.860 3.749 3.325 3.931 0.071 6 0 "[ . 1 . 2 . 3 .]" 1
1170 1 70 PHE QD 1 71 ASP H . . 3.820 2.930 2.330 3.627 . 0 0 "[ . 1 . 2 . 3 .]" 1
1171 1 70 PHE QD 1 71 ASP HA . . 5.050 4.388 4.076 4.686 . 0 0 "[ . 1 . 2 . 3 .]" 1
1172 1 70 PHE QD 1 71 ASP HB2 . . 5.500 4.954 4.379 5.551 0.051 33 0 "[ . 1 . 2 . 3 .]" 1
1173 1 70 PHE QD 1 72 PRO QD . . 5.500 4.805 4.474 5.014 . 0 0 "[ . 1 . 2 . 3 .]" 1
1174 1 70 PHE QD 1 74 SER H . . 5.500 5.491 5.023 5.594 0.094 34 0 "[ . 1 . 2 . 3 .]" 1
1175 1 70 PHE QD 1 75 GLN H . . 4.000 3.786 3.260 4.081 0.081 33 0 "[ . 1 . 2 . 3 .]" 1
1176 1 70 PHE QD 1 75 GLN HA . . 3.320 2.268 2.060 2.539 . 0 0 "[ . 1 . 2 . 3 .]" 1
1177 1 70 PHE QD 1 75 GLN QG . . 4.780 2.343 2.143 4.101 . 0 0 "[ . 1 . 2 . 3 .]" 1
1178 1 70 PHE QD 1 76 LYS H . . 4.770 4.203 3.408 4.705 . 0 0 "[ . 1 . 2 . 3 .]" 1
1179 1 70 PHE QD 1 77 VAL HA . . 4.720 4.602 4.397 4.789 0.069 22 0 "[ . 1 . 2 . 3 .]" 1
1180 1 70 PHE QD 1 78 ASN H . . 5.500 5.208 4.865 5.379 . 0 0 "[ . 1 . 2 . 3 .]" 1
1181 1 70 PHE HE2 1 72 PRO HA . . 4.590 3.402 2.896 3.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
1182 1 70 PHE HE2 1 72 PRO QB . . 4.770 4.557 4.125 4.854 0.084 11 0 "[ . 1 . 2 . 3 .]" 1
1183 1 71 ASP H 1 71 ASP HB2 . . 3.450 2.523 2.095 3.745 0.295 25 0 "[ . 1 . 2 . 3 .]" 1
1184 1 71 ASP H 1 76 LYS H . . 4.340 2.862 2.518 3.395 . 0 0 "[ . 1 . 2 . 3 .]" 1
1185 1 71 ASP H 1 77 VAL HA . . 4.320 3.705 3.186 4.256 . 0 0 "[ . 1 . 2 . 3 .]" 1
1186 1 71 ASP H 1 77 VAL QG . . 5.500 4.797 4.462 5.047 . 0 0 "[ . 1 . 2 . 3 .]" 1
1187 1 71 ASP H 1 78 ASN H . . 4.590 4.183 3.613 4.639 0.049 31 0 "[ . 1 . 2 . 3 .]" 1
1188 1 71 ASP H 1 78 ASN HD21 . . 5.360 3.999 3.555 4.714 . 0 0 "[ . 1 . 2 . 3 .]" 1
1189 1 71 ASP H 1 78 ASN HD22 . . 5.500 3.504 2.949 4.198 . 0 0 "[ . 1 . 2 . 3 .]" 1
1190 1 71 ASP HA 1 72 PRO QB . . 4.990 4.601 4.345 4.810 . 0 0 "[ . 1 . 2 . 3 .]" 1
1191 1 71 ASP HA 1 72 PRO QD . . 3.150 2.118 2.020 2.215 . 0 0 "[ . 1 . 2 . 3 .]" 1
1192 1 71 ASP HA 1 72 PRO QG . . 4.570 4.060 3.980 4.155 . 0 0 "[ . 1 . 2 . 3 .]" 1
1193 1 71 ASP HA 1 73 TYR H . . 5.010 3.935 3.696 4.183 . 0 0 "[ . 1 . 2 . 3 .]" 1
1194 1 71 ASP HA 1 73 TYR QD . . 4.900 4.493 3.589 4.978 0.078 24 0 "[ . 1 . 2 . 3 .]" 1
1195 1 71 ASP HA 1 74 SER H . . 5.500 5.418 5.073 5.588 0.088 7 0 "[ . 1 . 2 . 3 .]" 1
1196 1 71 ASP HA 1 75 GLN H . . 5.500 5.275 4.940 5.573 0.073 7 0 "[ . 1 . 2 . 3 .]" 1
1197 1 71 ASP HA 1 76 LYS H . . 5.500 4.767 4.509 5.133 . 0 0 "[ . 1 . 2 . 3 .]" 1
1198 1 71 ASP HA 1 78 ASN HD21 . . 5.210 3.642 2.808 4.562 . 0 0 "[ . 1 . 2 . 3 .]" 1
1199 1 71 ASP HA 1 78 ASN HD22 . . 5.500 2.904 2.298 4.014 . 0 0 "[ . 1 . 2 . 3 .]" 1
1200 1 71 ASP HB2 1 72 PRO QD . . 4.790 3.880 2.127 4.275 . 0 0 "[ . 1 . 2 . 3 .]" 1
1201 1 71 ASP HB2 1 75 GLN HA . . 5.500 4.635 3.513 5.483 . 0 0 "[ . 1 . 2 . 3 .]" 1
1202 1 71 ASP HB2 1 76 LYS H . . 3.620 3.059 1.868 4.092 0.472 25 0 "[ . 1 . 2 . 3 .]" 1
1203 1 71 ASP HB3 1 72 PRO QD . . 5.140 3.586 2.726 4.137 . 0 0 "[ . 1 . 2 . 3 .]" 1
1204 1 71 ASP HB3 1 73 TYR H . . 4.930 3.237 2.151 4.540 . 0 0 "[ . 1 . 2 . 3 .]" 1
1205 1 71 ASP HB3 1 73 TYR QD . . 4.980 4.068 2.077 5.326 0.346 33 0 "[ . 1 . 2 . 3 .]" 1
1206 1 71 ASP HB3 1 74 SER H . . 4.820 3.347 2.467 4.885 0.065 33 0 "[ . 1 . 2 . 3 .]" 1
1207 1 71 ASP HB3 1 75 GLN H . . 4.590 3.705 3.010 4.885 0.295 9 0 "[ . 1 . 2 . 3 .]" 1
1208 1 71 ASP HB3 1 76 LYS H . . 4.010 2.631 1.812 3.833 . 0 0 "[ . 1 . 2 . 3 .]" 1
1209 1 71 ASP HB3 1 76 LYS QB . . 3.980 2.998 2.170 4.039 0.059 35 0 "[ . 1 . 2 . 3 .]" 1
1210 1 72 PRO HA 1 73 TYR HA . . 5.120 4.925 4.783 5.048 . 0 0 "[ . 1 . 2 . 3 .]" 1
1211 1 72 PRO HA 1 75 GLN H . . 5.500 3.881 3.524 4.254 . 0 0 "[ . 1 . 2 . 3 .]" 1
1212 1 72 PRO HA 1 75 GLN HE21 . . 5.430 3.152 2.348 4.490 . 0 0 "[ . 1 . 2 . 3 .]" 1
1213 1 72 PRO HA 1 75 GLN HE22 . . 5.500 3.807 2.230 4.756 . 0 0 "[ . 1 . 2 . 3 .]" 1
1214 1 72 PRO QB 1 73 TYR H . . 4.320 3.553 3.235 3.886 . 0 0 "[ . 1 . 2 . 3 .]" 1
1215 1 72 PRO QB 1 73 TYR QD . . 5.200 4.263 3.555 4.885 . 0 0 "[ . 1 . 2 . 3 .]" 1
1216 1 72 PRO QB 1 74 SER H . . 5.500 5.460 5.227 5.585 0.085 32 0 "[ . 1 . 2 . 3 .]" 1
1217 1 72 PRO QB 1 75 GLN HE21 . . 5.500 4.783 4.217 5.574 0.074 31 0 "[ . 1 . 2 . 3 .]" 1
1218 1 72 PRO QB 1 75 GLN HE22 . . 5.500 5.071 3.790 5.617 0.117 8 0 "[ . 1 . 2 . 3 .]" 1
1219 1 72 PRO QD 1 73 TYR H . . 3.920 2.674 2.465 3.067 . 0 0 "[ . 1 . 2 . 3 .]" 1
1220 1 72 PRO QD 1 73 TYR QD . . 4.070 2.736 2.199 4.022 . 0 0 "[ . 1 . 2 . 3 .]" 1
1221 1 72 PRO QD 1 73 TYR QE . . 4.390 3.818 2.583 4.465 0.075 4 0 "[ . 1 . 2 . 3 .]" 1
1222 1 72 PRO QD 1 74 SER H . . 5.340 5.003 4.629 5.350 0.010 19 0 "[ . 1 . 2 . 3 .]" 1
1223 1 72 PRO QG 1 73 TYR H . . 3.770 2.704 2.204 3.350 . 0 0 "[ . 1 . 2 . 3 .]" 1
1224 1 72 PRO QG 1 73 TYR QB . . 4.990 4.438 4.144 4.919 . 0 0 "[ . 1 . 2 . 3 .]" 1
1225 1 72 PRO QG 1 73 TYR QD . . 3.760 2.606 2.175 3.480 . 0 0 "[ . 1 . 2 . 3 .]" 1
1226 1 72 PRO QG 1 73 TYR QE . . 3.840 3.465 2.950 3.963 0.123 17 0 "[ . 1 . 2 . 3 .]" 1
1227 1 73 TYR H 1 73 TYR QB . . 3.020 2.408 2.193 2.720 . 0 0 "[ . 1 . 2 . 3 .]" 1
1228 1 73 TYR H 1 73 TYR QD . . 3.370 2.133 1.775 3.188 . 0 0 "[ . 1 . 2 . 3 .]" 1
1229 1 73 TYR H 1 73 TYR QE . . 4.720 4.339 3.791 4.794 0.074 33 0 "[ . 1 . 2 . 3 .]" 1
1230 1 73 TYR H 1 75 GLN H . . 4.410 3.925 3.370 4.322 . 0 0 "[ . 1 . 2 . 3 .]" 1
1231 1 73 TYR HA 1 73 TYR QD . . 3.110 3.024 2.258 3.209 0.099 34 0 "[ . 1 . 2 . 3 .]" 1
1232 1 73 TYR QB 1 74 SER H . . 3.280 2.368 2.041 2.548 . 0 0 "[ . 1 . 2 . 3 .]" 1
1233 1 73 TYR QB 1 74 SER HA . . 4.790 4.287 4.056 4.483 . 0 0 "[ . 1 . 2 . 3 .]" 1
1234 1 73 TYR QB 1 75 GLN H . . 4.700 4.157 3.767 4.496 . 0 0 "[ . 1 . 2 . 3 .]" 1
1235 1 73 TYR QD 1 74 SER H . . 5.200 4.268 3.611 4.490 . 0 0 "[ . 1 . 2 . 3 .]" 1
1236 1 74 SER H 1 74 SER HB2 . . 3.760 3.057 2.616 3.834 0.074 23 0 "[ . 1 . 2 . 3 .]" 1
1237 1 74 SER H 1 74 SER HB3 . . 3.830 3.171 2.687 3.765 . 0 0 "[ . 1 . 2 . 3 .]" 1
1238 1 74 SER H 1 75 GLN H . . 3.270 2.080 1.774 2.385 . 0 0 "[ . 1 . 2 . 3 .]" 1
1239 1 74 SER H 1 75 GLN HA . . 4.350 4.082 3.889 4.316 . 0 0 "[ . 1 . 2 . 3 .]" 1
1240 1 74 SER H 1 76 LYS H . . 4.540 3.322 2.967 3.723 . 0 0 "[ . 1 . 2 . 3 .]" 1
1241 1 74 SER H 1 76 LYS QB . . 5.460 4.449 3.484 5.039 . 0 0 "[ . 1 . 2 . 3 .]" 1
1242 1 74 SER HB2 1 75 GLN H . . 4.690 4.433 3.767 4.674 . 0 0 "[ . 1 . 2 . 3 .]" 1
1243 1 74 SER HB3 1 76 LYS QG . . 5.100 3.964 2.840 4.839 . 0 0 "[ . 1 . 2 . 3 .]" 1
1244 1 75 GLN H 1 75 GLN HE21 . . 5.500 2.812 1.958 5.213 . 0 0 "[ . 1 . 2 . 3 .]" 1
1245 1 75 GLN H 1 75 GLN HE22 . . 5.500 3.858 2.891 5.087 . 0 0 "[ . 1 . 2 . 3 .]" 1
1246 1 75 GLN H 1 75 GLN QG . . 3.760 3.418 3.112 3.695 . 0 0 "[ . 1 . 2 . 3 .]" 1
1247 1 75 GLN H 1 76 LYS H . . 3.470 2.857 2.476 3.167 . 0 0 "[ . 1 . 2 . 3 .]" 1
1248 1 75 GLN H 1 76 LYS QB . . 4.900 4.755 4.181 4.990 0.090 35 0 "[ . 1 . 2 . 3 .]" 1
1249 1 75 GLN HA 1 75 GLN QG . . 3.210 2.323 2.061 3.077 . 0 0 "[ . 1 . 2 . 3 .]" 1
1250 1 75 GLN HA 1 76 LYS QB . . 5.420 4.576 4.377 4.978 . 0 0 "[ . 1 . 2 . 3 .]" 1
1251 1 75 GLN HA 1 77 VAL H . . 5.170 5.229 5.052 5.265 0.095 35 0 "[ . 1 . 2 . 3 .]" 1
1252 1 75 GLN HB2 1 76 LYS H . . 5.410 4.619 4.391 4.755 . 0 0 "[ . 1 . 2 . 3 .]" 1
1253 1 75 GLN HB3 1 76 LYS H . . 4.640 4.439 4.266 4.549 . 0 0 "[ . 1 . 2 . 3 .]" 1
1254 1 75 GLN QG 1 76 LYS H . . 5.430 4.662 4.315 5.076 . 0 0 "[ . 1 . 2 . 3 .]" 1
1255 1 76 LYS H 1 76 LYS QB . . 2.940 2.306 2.018 2.760 . 0 0 "[ . 1 . 2 . 3 .]" 1
1256 1 76 LYS H 1 76 LYS QD . . 4.790 4.323 2.790 4.850 0.060 27 0 "[ . 1 . 2 . 3 .]" 1
1257 1 76 LYS H 1 76 LYS QG . . 4.310 3.306 2.193 3.991 . 0 0 "[ . 1 . 2 . 3 .]" 1
1258 1 76 LYS H 1 77 VAL H . . 4.550 4.369 4.139 4.499 . 0 0 "[ . 1 . 2 . 3 .]" 1
1259 1 76 LYS H 1 78 ASN HD22 . . 5.200 5.281 5.259 5.293 0.093 8 0 "[ . 1 . 2 . 3 .]" 1
1260 1 76 LYS HA 1 76 LYS QD . . 4.280 3.358 2.400 4.299 0.019 35 0 "[ . 1 . 2 . 3 .]" 1
1261 1 76 LYS HA 1 76 LYS QG . . 3.770 2.273 2.046 3.374 . 0 0 "[ . 1 . 2 . 3 .]" 1
1262 1 76 LYS HA 1 77 VAL H . . 2.850 2.185 2.072 2.360 . 0 0 "[ . 1 . 2 . 3 .]" 1
1263 1 76 LYS HA 1 77 VAL QG . . 3.680 3.589 3.228 3.715 0.035 31 0 "[ . 1 . 2 . 3 .]" 1
1264 1 76 LYS QB 1 77 VAL H . . 3.810 3.290 2.778 3.876 0.066 25 0 "[ . 1 . 2 . 3 .]" 1
1265 1 76 LYS QD 1 77 VAL H . . 4.590 4.323 3.226 4.679 0.089 20 0 "[ . 1 . 2 . 3 .]" 1
1266 1 76 LYS QD 1 77 VAL QG . . 5.500 5.060 4.004 5.395 . 0 0 "[ . 1 . 2 . 3 .]" 1
1267 1 76 LYS QG 1 77 VAL H . . 4.120 3.940 3.487 4.063 . 0 0 "[ . 1 . 2 . 3 .]" 1
1268 1 77 VAL H 1 77 VAL HB . . 2.900 2.747 2.325 2.984 0.084 7 0 "[ . 1 . 2 . 3 .]" 1
1269 1 77 VAL H 1 77 VAL QG . . 2.910 1.986 1.804 2.284 . 0 0 "[ . 1 . 2 . 3 .]" 1
1270 1 77 VAL H 1 78 ASN H . . 4.880 4.453 4.281 4.610 . 0 0 "[ . 1 . 2 . 3 .]" 1
1271 1 77 VAL HA 1 78 ASN H . . 3.180 2.152 2.044 2.246 . 0 0 "[ . 1 . 2 . 3 .]" 1
1272 1 77 VAL HA 1 78 ASN HA . . 4.960 4.418 4.293 4.515 . 0 0 "[ . 1 . 2 . 3 .]" 1
1273 1 77 VAL HA 1 79 LYS H . . 4.090 4.040 3.801 4.167 0.077 30 0 "[ . 1 . 2 . 3 .]" 1
1274 1 77 VAL HB 1 78 ASN H . . 4.770 4.120 3.876 4.392 . 0 0 "[ . 1 . 2 . 3 .]" 1
1275 1 77 VAL HB 1 79 LYS H . . 5.470 5.233 4.784 5.423 . 0 0 "[ . 1 . 2 . 3 .]" 1
1276 1 77 VAL QG 1 78 ASN H . . 3.250 2.791 2.351 3.190 . 0 0 "[ . 1 . 2 . 3 .]" 1
1277 1 77 VAL QG 1 79 LYS H . . 3.260 2.904 2.628 3.106 . 0 0 "[ . 1 . 2 . 3 .]" 1
1278 1 77 VAL QG 1 79 LYS HA . . 4.060 3.464 2.943 4.055 . 0 0 "[ . 1 . 2 . 3 .]" 1
1279 1 77 VAL QG 1 79 LYS QB . . 4.690 4.459 4.212 4.721 0.031 22 0 "[ . 1 . 2 . 3 .]" 1
1280 1 77 VAL QG 1 80 ILE H . . 4.400 4.139 3.702 4.434 0.034 23 0 "[ . 1 . 2 . 3 .]" 1
1281 1 77 VAL QG 1 80 ILE MD . . 2.400 2.126 1.929 2.381 . 0 0 "[ . 1 . 2 . 3 .]" 1
1282 1 77 VAL QG 1 80 ILE HG13 . . 3.090 2.260 2.026 2.990 . 0 0 "[ . 1 . 2 . 3 .]" 1
1283 1 78 ASN H 1 78 ASN HB2 . . 3.680 2.435 2.327 2.545 . 0 0 "[ . 1 . 2 . 3 .]" 1
1284 1 78 ASN H 1 78 ASN HB3 . . 3.730 3.626 3.558 3.708 . 0 0 "[ . 1 . 2 . 3 .]" 1
1285 1 78 ASN H 1 78 ASN HD21 . . 5.500 3.628 2.770 4.379 . 0 0 "[ . 1 . 2 . 3 .]" 1
1286 1 78 ASN H 1 78 ASN HD22 . . 5.460 4.309 3.715 4.885 . 0 0 "[ . 1 . 2 . 3 .]" 1
1287 1 78 ASN H 1 79 LYS H . . 3.230 2.344 2.121 2.557 . 0 0 "[ . 1 . 2 . 3 .]" 1
1288 1 78 ASN H 1 79 LYS QB . . 4.770 4.787 4.585 4.853 0.083 31 0 "[ . 1 . 2 . 3 .]" 1
1289 1 78 ASN HA 1 78 ASN HD22 . . 5.500 4.479 4.141 4.657 . 0 0 "[ . 1 . 2 . 3 .]" 1
1290 1 78 ASN HB2 1 78 ASN HD22 . . 3.690 3.569 3.494 3.657 . 0 0 "[ . 1 . 2 . 3 .]" 1
1291 1 78 ASN HB2 1 79 LYS H . . 3.580 2.584 2.197 2.805 . 0 0 "[ . 1 . 2 . 3 .]" 1
1292 1 78 ASN HB2 1 79 LYS QB . . 4.440 3.847 3.317 4.424 . 0 0 "[ . 1 . 2 . 3 .]" 1
1293 1 78 ASN HB2 1 79 LYS QG . . 5.360 4.803 3.934 5.451 0.091 5 0 "[ . 1 . 2 . 3 .]" 1
1294 1 78 ASN HB3 1 78 ASN HD22 . . 3.880 3.926 3.770 3.977 0.097 16 0 "[ . 1 . 2 . 3 .]" 1
1295 1 78 ASN HB3 1 79 LYS H . . 3.550 3.523 3.263 3.632 0.082 34 0 "[ . 1 . 2 . 3 .]" 1
1296 1 78 ASN HB3 1 79 LYS QB . . 4.510 3.874 3.277 4.547 0.037 35 0 "[ . 1 . 2 . 3 .]" 1
1297 1 78 ASN HB3 1 79 LYS QG . . 5.140 4.338 3.376 5.244 0.104 21 0 "[ . 1 . 2 . 3 .]" 1
1298 1 78 ASN HD21 1 79 LYS H . . 5.500 4.723 4.002 5.145 . 0 0 "[ . 1 . 2 . 3 .]" 1
1299 1 79 LYS H 1 79 LYS QB . . 3.400 2.807 2.598 3.102 . 0 0 "[ . 1 . 2 . 3 .]" 1
1300 1 79 LYS H 1 79 LYS QG . . 4.440 3.827 2.920 4.262 . 0 0 "[ . 1 . 2 . 3 .]" 1
1301 1 79 LYS H 1 80 ILE H . . 4.760 4.350 4.177 4.454 . 0 0 "[ . 1 . 2 . 3 .]" 1
1302 1 79 LYS HA 1 79 LYS QG . . 3.290 2.406 2.118 3.365 0.075 31 0 "[ . 1 . 2 . 3 .]" 1
1303 1 79 LYS HA 1 80 ILE H . . 3.060 2.377 2.128 2.531 . 0 0 "[ . 1 . 2 . 3 .]" 1
1304 1 79 LYS HA 1 80 ILE HG12 . . 5.500 4.935 3.798 5.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
1305 1 79 LYS QB 1 80 ILE H . . 3.430 2.739 2.271 3.529 0.099 21 0 "[ . 1 . 2 . 3 .]" 1
1306 1 79 LYS QG 1 80 ILE H . . 3.790 3.283 2.025 3.887 0.097 9 0 "[ . 1 . 2 . 3 .]" 1
1307 1 80 ILE H 1 80 ILE HB . . 3.260 2.784 2.477 2.919 . 0 0 "[ . 1 . 2 . 3 .]" 1
1308 1 80 ILE H 1 80 ILE MD . . 4.300 4.329 3.867 4.396 0.096 13 0 "[ . 1 . 2 . 3 .]" 1
1309 1 80 ILE H 1 80 ILE HG12 . . 4.240 4.056 3.088 4.298 0.058 21 0 "[ . 1 . 2 . 3 .]" 1
1310 1 80 ILE H 1 80 ILE HG13 . . 3.940 3.243 2.870 4.314 0.374 20 0 "[ . 1 . 2 . 3 .]" 1
1311 1 80 ILE H 1 80 ILE MG . . 4.030 3.908 3.759 4.013 . 0 0 "[ . 1 . 2 . 3 .]" 1
1312 1 80 ILE H 1 81 ALA H . . 4.860 4.277 4.103 4.369 . 0 0 "[ . 1 . 2 . 3 .]" 1
1313 1 80 ILE HA 1 80 ILE HG12 . . 3.820 2.577 2.386 3.266 . 0 0 "[ . 1 . 2 . 3 .]" 1
1314 1 80 ILE HA 1 80 ILE HG13 . . 3.840 3.163 2.889 3.782 . 0 0 "[ . 1 . 2 . 3 .]" 1
1315 1 80 ILE HA 1 80 ILE MG . . 3.020 2.473 2.359 2.622 . 0 0 "[ . 1 . 2 . 3 .]" 1
1316 1 80 ILE HA 1 81 ALA H . . 2.940 2.286 2.177 2.374 . 0 0 "[ . 1 . 2 . 3 .]" 1
1317 1 80 ILE HB 1 81 ALA H . . 4.470 4.035 3.798 4.312 . 0 0 "[ . 1 . 2 . 3 .]" 1
1318 1 80 ILE HG12 1 80 ILE MG . . 2.590 2.506 2.318 3.222 0.632 20 2 "[ . 1 . + . -3 .]" 1
1319 1 80 ILE HG12 1 81 ALA H . . 5.010 4.430 4.007 5.147 0.137 29 0 "[ . 1 . 2 . 3 .]" 1
1320 1 80 ILE MG 1 81 ALA H . . 3.210 2.424 2.201 2.835 . 0 0 "[ . 1 . 2 . 3 .]" 1
1321 1 80 ILE MG 1 81 ALA HA . . 5.080 3.287 2.978 3.597 . 0 0 "[ . 1 . 2 . 3 .]" 1
1322 1 80 ILE MG 1 82 ILE H . . 5.370 4.779 3.071 5.197 . 0 0 "[ . 1 . 2 . 3 .]" 1
1323 1 81 ALA H 1 81 ALA MB . . 3.120 2.770 2.503 2.916 . 0 0 "[ . 1 . 2 . 3 .]" 1
1324 1 81 ALA H 1 82 ILE H . . 4.690 4.312 3.620 4.388 . 0 0 "[ . 1 . 2 . 3 .]" 1
1325 1 81 ALA H 1 82 ILE HG12 . . 4.600 4.464 4.150 4.675 0.075 18 0 "[ . 1 . 2 . 3 .]" 1
1326 1 81 ALA HA 1 82 ILE H . . 2.920 2.566 2.085 2.689 . 0 0 "[ . 1 . 2 . 3 .]" 1
1327 1 81 ALA HA 1 82 ILE HB . . 4.630 4.319 3.915 4.707 0.077 14 0 "[ . 1 . 2 . 3 .]" 1
1328 1 81 ALA HA 1 82 ILE HG12 . . 4.870 3.723 3.365 4.827 . 0 0 "[ . 1 . 2 . 3 .]" 1
1329 1 81 ALA MB 1 82 ILE H . . 3.320 2.261 1.997 3.396 0.076 31 0 "[ . 1 . 2 . 3 .]" 1
1330 1 82 ILE H 1 82 ILE HB . . 3.250 2.536 2.147 2.808 . 0 0 "[ . 1 . 2 . 3 .]" 1
1331 1 82 ILE H 1 82 ILE MD . . 4.240 4.234 3.820 4.334 0.094 3 0 "[ . 1 . 2 . 3 .]" 1
1332 1 82 ILE H 1 82 ILE HG12 . . 3.950 3.287 2.529 3.916 . 0 0 "[ . 1 . 2 . 3 .]" 1
1333 1 82 ILE H 1 82 ILE HG13 . . 4.270 4.183 3.024 4.350 0.080 26 0 "[ . 1 . 2 . 3 .]" 1
1334 1 82 ILE H 1 82 ILE MG . . 4.210 3.761 3.641 3.963 . 0 0 "[ . 1 . 2 . 3 .]" 1
1335 1 82 ILE H 1 83 LEU H . . 5.050 4.405 4.149 4.587 . 0 0 "[ . 1 . 2 . 3 .]" 1
1336 1 82 ILE HA 1 82 ILE MD . . 3.810 2.259 2.046 3.864 0.054 14 0 "[ . 1 . 2 . 3 .]" 1
1337 1 82 ILE HA 1 82 ILE HG12 . . 3.640 2.790 2.390 3.045 . 0 0 "[ . 1 . 2 . 3 .]" 1
1338 1 82 ILE HA 1 82 ILE HG13 . . 3.630 3.674 3.150 3.719 0.089 5 0 "[ . 1 . 2 . 3 .]" 1
1339 1 82 ILE HA 1 82 ILE MG . . 3.110 2.592 2.379 2.753 . 0 0 "[ . 1 . 2 . 3 .]" 1
1340 1 82 ILE HA 1 83 LEU H . . 3.030 2.369 2.176 2.571 . 0 0 "[ . 1 . 2 . 3 .]" 1
1341 1 82 ILE HA 1 83 LEU QB . . 5.460 3.904 3.673 4.174 . 0 0 "[ . 1 . 2 . 3 .]" 1
1342 1 82 ILE HB 1 82 ILE MD . . 3.630 3.235 2.467 3.315 . 0 0 "[ . 1 . 2 . 3 .]" 1
1343 1 82 ILE HB 1 82 ILE HG13 . . 2.910 2.362 2.290 2.423 . 0 0 "[ . 1 . 2 . 3 .]" 1
1344 1 82 ILE HB 1 83 LEU H . . 4.450 4.098 3.567 4.497 0.047 28 0 "[ . 1 . 2 . 3 .]" 1
1345 1 82 ILE MD 1 83 LEU H . . 4.610 3.492 3.076 4.660 0.050 14 0 "[ . 1 . 2 . 3 .]" 1
1346 1 82 ILE HG12 1 82 ILE MG . . 3.210 3.199 2.537 3.266 0.056 19 0 "[ . 1 . 2 . 3 .]" 1
1347 1 82 ILE MG 1 83 LEU H . . 3.310 2.366 1.932 3.067 . 0 0 "[ . 1 . 2 . 3 .]" 1
1348 1 82 ILE MG 1 84 GLU H . . 5.010 4.568 3.821 5.084 0.074 31 0 "[ . 1 . 2 . 3 .]" 1
1349 1 83 LEU H 1 83 LEU QB . . 3.600 2.503 2.300 2.739 . 0 0 "[ . 1 . 2 . 3 .]" 1
1350 1 83 LEU H 1 83 LEU QD . . 4.310 3.826 3.605 4.009 . 0 0 "[ . 1 . 2 . 3 .]" 1
1351 1 83 LEU HA 1 83 LEU QD . . 3.670 2.362 2.040 3.092 . 0 0 "[ . 1 . 2 . 3 .]" 1
1352 1 83 LEU HA 1 83 LEU HG . . 3.800 3.276 2.341 3.859 0.059 29 0 "[ . 1 . 2 . 3 .]" 1
1353 1 83 LEU HA 1 84 GLU H . . 2.890 2.376 2.086 2.722 . 0 0 "[ . 1 . 2 . 3 .]" 1
1354 1 83 LEU HA 1 84 GLU QB . . 4.230 4.001 3.734 4.316 0.086 33 0 "[ . 1 . 2 . 3 .]" 1
1355 1 83 LEU QB 1 83 LEU QD . . 2.650 2.012 1.870 2.125 . 0 0 "[ . 1 . 2 . 3 .]" 1
1356 1 83 LEU QB 1 84 GLU H . . 4.070 3.479 3.031 3.729 . 0 0 "[ . 1 . 2 . 3 .]" 1
1357 1 83 LEU QB 1 84 GLU HA . . 5.500 4.403 3.892 4.727 . 0 0 "[ . 1 . 2 . 3 .]" 1
1358 1 83 LEU QD 1 84 GLU H . . 3.430 2.309 1.800 3.161 . 0 0 "[ . 1 . 2 . 3 .]" 1
1359 1 83 LEU QD 1 84 GLU HA . . 4.170 3.536 2.990 4.147 . 0 0 "[ . 1 . 2 . 3 .]" 1
1360 1 84 GLU H 1 84 GLU QB . . 3.010 2.554 2.312 2.725 . 0 0 "[ . 1 . 2 . 3 .]" 1
1361 1 84 GLU H 1 85 GLU H . . 4.700 4.337 4.215 4.542 . 0 0 "[ . 1 . 2 . 3 .]" 1
1362 1 84 GLU H 1 86 TYR QE . . 5.500 4.794 4.170 5.564 0.064 1 0 "[ . 1 . 2 . 3 .]" 1
1363 1 84 GLU HA 1 84 GLU HG2 . . 3.410 2.654 2.461 3.343 . 0 0 "[ . 1 . 2 . 3 .]" 1
1364 1 84 GLU HA 1 84 GLU HG3 . . 3.430 2.669 2.180 3.475 0.045 21 0 "[ . 1 . 2 . 3 .]" 1
1365 1 84 GLU HA 1 85 GLU H . . 3.180 2.244 2.063 2.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
1366 1 84 GLU HA 1 85 GLU HB3 . . 5.360 4.610 4.116 4.900 . 0 0 "[ . 1 . 2 . 3 .]" 1
1367 1 84 GLU QB 1 85 GLU H . . 3.430 3.403 2.534 3.533 0.103 24 0 "[ . 1 . 2 . 3 .]" 1
1368 1 84 GLU QB 1 86 TYR QD . . 4.240 3.505 2.822 4.315 0.075 21 0 "[ . 1 . 2 . 3 .]" 1
1369 1 84 GLU HG2 1 85 GLU H . . 4.060 2.738 2.144 4.157 0.097 19 0 "[ . 1 . 2 . 3 .]" 1
1370 1 84 GLU HG3 1 85 GLU H . . 4.070 3.822 3.504 4.142 0.072 7 0 "[ . 1 . 2 . 3 .]" 1
1371 1 85 GLU H 1 85 GLU HB2 . . 3.420 2.737 2.460 3.679 0.259 25 0 "[ . 1 . 2 . 3 .]" 1
1372 1 85 GLU H 1 85 GLU HB3 . . 3.640 2.435 2.227 2.613 . 0 0 "[ . 1 . 2 . 3 .]" 1
1373 1 85 GLU HA 1 85 GLU QG . . 3.900 2.687 2.303 3.292 . 0 0 "[ . 1 . 2 . 3 .]" 1
1374 1 85 GLU HA 1 86 TYR H . . 3.140 2.332 2.161 2.467 . 0 0 "[ . 1 . 2 . 3 .]" 1
1375 1 85 GLU HA 1 86 TYR QD . . 4.790 3.707 3.073 4.886 0.096 10 0 "[ . 1 . 2 . 3 .]" 1
1376 1 85 GLU HB2 1 86 TYR H . . 4.400 4.046 2.745 4.456 0.056 10 0 "[ . 1 . 2 . 3 .]" 1
1377 1 85 GLU QG 1 86 TYR H . . 3.840 2.468 1.933 3.344 . 0 0 "[ . 1 . 2 . 3 .]" 1
1378 1 86 TYR H 1 86 TYR HB3 . . 3.560 3.499 3.215 3.636 0.076 26 0 "[ . 1 . 2 . 3 .]" 1
1379 1 86 TYR H 1 86 TYR QD . . 3.660 3.216 2.728 3.595 . 0 0 "[ . 1 . 2 . 3 .]" 1
1380 1 86 TYR H 1 86 TYR QE . . 5.180 4.488 3.953 5.277 0.097 10 0 "[ . 1 . 2 . 3 .]" 1
1381 1 86 TYR H 1 87 GLN H . . 4.260 4.197 1.459 4.333 0.073 17 0 "[ . 1 . 2 . 3 .]" 1
1382 1 86 TYR H 1 87 GLN HA . . 5.500 4.715 3.541 5.580 0.080 10 0 "[ . 1 . 2 . 3 .]" 1
1383 1 86 TYR H 1 87 GLN QG . . 4.630 4.345 2.992 4.719 0.089 12 0 "[ . 1 . 2 . 3 .]" 1
1384 1 86 TYR HA 1 87 GLN H . . 3.150 2.410 1.908 3.030 . 0 0 "[ . 1 . 2 . 3 .]" 1
1385 1 86 TYR HA 1 87 GLN QE . . 5.140 3.548 2.362 4.467 . 0 0 "[ . 1 . 2 . 3 .]" 1
1386 1 86 TYR HB2 1 87 GLN H . . 4.010 2.766 2.176 4.206 0.196 10 0 "[ . 1 . 2 . 3 .]" 1
1387 1 86 TYR HB3 1 87 GLN H . . 4.120 3.868 3.354 4.216 0.096 34 0 "[ . 1 . 2 . 3 .]" 1
1388 1 86 TYR QD 1 87 GLN H . . 4.030 3.624 2.563 4.115 0.085 7 0 "[ . 1 . 2 . 3 .]" 1
1389 1 86 TYR QD 1 87 GLN HA . . 4.650 3.832 3.397 4.341 . 0 0 "[ . 1 . 2 . 3 .]" 1
1390 1 86 TYR QE 1 87 GLN HA . . 5.500 5.412 4.355 5.595 0.095 20 0 "[ . 1 . 2 . 3 .]" 1
1391 1 87 GLN H 1 87 GLN HB2 . . 3.840 3.282 2.521 4.029 0.189 11 0 "[ . 1 . 2 . 3 .]" 1
1392 1 87 GLN H 1 87 GLN HB3 . . 3.950 3.759 3.391 4.040 0.090 34 0 "[ . 1 . 2 . 3 .]" 1
1393 1 87 GLN H 1 87 GLN QE . . 5.460 3.884 2.722 4.744 . 0 0 "[ . 1 . 2 . 3 .]" 1
1394 1 87 GLN H 1 87 GLN QG . . 4.210 3.182 2.226 3.954 . 0 0 "[ . 1 . 2 . 3 .]" 1
1395 1 87 GLN HA 1 87 GLN QE . . 5.500 4.411 3.179 5.237 . 0 0 "[ . 1 . 2 . 3 .]" 1
1396 1 87 GLN HA 1 87 GLN QG . . 3.290 2.893 2.222 3.399 0.109 32 0 "[ . 1 . 2 . 3 .]" 1
1397 1 87 GLN HB2 1 87 GLN QG . . 2.690 2.375 2.137 2.592 . 0 0 "[ . 1 . 2 . 3 .]" 1
1398 1 87 GLN HB3 1 87 GLN QG . . 2.460 2.271 2.123 2.567 0.107 16 0 "[ . 1 . 2 . 3 .]" 1
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