NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
450666 |
2rmm   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rmm
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 2118
_Distance_constraint_stats_list.Viol_count 1926
_Distance_constraint_stats_list.Viol_total 2738.164
_Distance_constraint_stats_list.Viol_max 0.399
_Distance_constraint_stats_list.Viol_rms 0.0211
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0711
_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 1 MET 1.062 0.086 6 0 "[ . 1 . 2]"
1 2 GLN 1.334 0.070 20 0 "[ . 1 . 2]"
1 3 TYR 0.491 0.073 17 0 "[ . 1 . 2]"
1 4 LYS 0.417 0.069 4 0 "[ . 1 . 2]"
1 5 LEU 1.446 0.089 14 0 "[ . 1 . 2]"
1 6 ILE 2.862 0.106 11 0 "[ . 1 . 2]"
1 7 LEU 1.257 0.073 14 0 "[ . 1 . 2]"
1 8 ASN 6.686 0.144 11 0 "[ . 1 . 2]"
1 9 GLY 3.061 0.144 11 0 "[ . 1 . 2]"
1 10 LYS 1.736 0.188 15 0 "[ . 1 . 2]"
1 11 THR 1.081 0.123 9 0 "[ . 1 . 2]"
1 12 LEU 0.761 0.123 9 0 "[ . 1 . 2]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLY 0.279 0.063 4 0 "[ . 1 . 2]"
1 15 GLU 0.339 0.031 8 0 "[ . 1 . 2]"
1 16 THR 1.963 0.089 14 0 "[ . 1 . 2]"
1 17 THR 1.288 0.070 20 0 "[ . 1 . 2]"
1 18 THR 0.166 0.070 13 0 "[ . 1 . 2]"
1 19 GLU 1.783 0.093 2 0 "[ . 1 . 2]"
1 20 ALA 4.227 0.199 8 0 "[ . 1 . 2]"
1 21 VAL 8.371 0.275 4 0 "[ . 1 . 2]"
1 22 ASP 2.862 0.275 4 0 "[ . 1 . 2]"
1 23 ALA 5.266 0.275 4 0 "[ . 1 . 2]"
1 24 ALA 9.958 0.399 3 0 "[ . 1 . 2]"
1 25 THR 6.602 0.275 4 0 "[ . 1 . 2]"
1 26 ALA 1.975 0.093 2 0 "[ . 1 . 2]"
1 27 GLU 1.063 0.085 10 0 "[ . 1 . 2]"
1 28 LYS 9.833 0.399 3 0 "[ . 1 . 2]"
1 29 VAL 4.465 0.126 20 0 "[ . 1 . 2]"
1 30 PHE 5.181 0.165 18 0 "[ . 1 . 2]"
1 31 LYS 1.397 0.116 15 0 "[ . 1 . 2]"
1 32 GLN 7.431 0.165 18 0 "[ . 1 . 2]"
1 33 TYR 0.489 0.085 9 0 "[ . 1 . 2]"
1 34 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASN 1.042 0.300 12 0 "[ . 1 . 2]"
1 36 ASP 2.669 0.221 5 0 "[ . 1 . 2]"
1 37 ASN 0.784 0.155 10 0 "[ . 1 . 2]"
1 38 GLY 2.981 0.221 5 0 "[ . 1 . 2]"
1 39 VAL 2.092 0.155 10 0 "[ . 1 . 2]"
1 40 ASP 0.292 0.098 15 0 "[ . 1 . 2]"
1 41 GLY 0.189 0.057 9 0 "[ . 1 . 2]"
1 42 GLU 0.917 0.117 7 0 "[ . 1 . 2]"
1 43 TRP 0.613 0.050 3 0 "[ . 1 . 2]"
1 44 THR 1.742 0.145 9 0 "[ . 1 . 2]"
1 45 TYR 1.030 0.145 9 0 "[ . 1 . 2]"
1 46 ASP 1.816 0.231 11 0 "[ . 1 . 2]"
1 47 ASP 1.509 0.203 4 0 "[ . 1 . 2]"
1 48 ALA 4.086 0.294 11 0 "[ . 1 . 2]"
1 49 THR 2.675 0.203 4 0 "[ . 1 . 2]"
1 50 LYS 3.906 0.231 11 0 "[ . 1 . 2]"
1 51 THR 3.398 0.294 11 0 "[ . 1 . 2]"
1 52 PHE 0.095 0.046 16 0 "[ . 1 . 2]"
1 53 THR 0.755 0.141 9 0 "[ . 1 . 2]"
1 54 VAL 1.877 0.106 11 0 "[ . 1 . 2]"
1 55 THR 1.748 0.101 4 0 "[ . 1 . 2]"
1 56 GLU 1.585 0.119 12 0 "[ . 1 . 2]"
2 1 MET 1.078 0.081 2 0 "[ . 1 . 2]"
2 2 GLN 1.289 0.074 3 0 "[ . 1 . 2]"
2 3 TYR 0.072 0.055 3 0 "[ . 1 . 2]"
2 4 LYS 0.255 0.046 6 0 "[ . 1 . 2]"
2 5 LEU 1.588 0.097 9 0 "[ . 1 . 2]"
2 6 ILE 2.454 0.100 6 0 "[ . 1 . 2]"
2 7 LEU 2.207 0.105 16 0 "[ . 1 . 2]"
2 8 ASN 5.672 0.125 19 0 "[ . 1 . 2]"
2 9 GLY 2.648 0.125 19 0 "[ . 1 . 2]"
2 10 LYS 1.289 0.103 3 0 "[ . 1 . 2]"
2 11 THR 0.831 0.103 3 0 "[ . 1 . 2]"
2 12 LEU 0.359 0.063 3 0 "[ . 1 . 2]"
2 13 LYS 0.073 0.073 6 0 "[ . 1 . 2]"
2 14 GLY 0.040 0.022 10 0 "[ . 1 . 2]"
2 15 GLU 1.330 0.072 20 0 "[ . 1 . 2]"
2 16 THR 1.767 0.097 9 0 "[ . 1 . 2]"
2 17 THR 1.490 0.074 3 0 "[ . 1 . 2]"
2 18 THR 0.016 0.013 10 0 "[ . 1 . 2]"
2 19 GLU 1.199 0.153 7 0 "[ . 1 . 2]"
2 20 ALA 4.859 0.222 7 0 "[ . 1 . 2]"
2 21 VAL 8.579 0.244 3 0 "[ . 1 . 2]"
2 22 ASP 3.681 0.276 7 0 "[ . 1 . 2]"
2 23 ALA 6.900 0.276 7 0 "[ . 1 . 2]"
2 24 ALA 9.395 0.355 1 0 "[ . 1 . 2]"
2 25 THR 5.389 0.244 3 0 "[ . 1 . 2]"
2 26 ALA 0.718 0.054 6 0 "[ . 1 . 2]"
2 27 GLU 0.906 0.111 13 0 "[ . 1 . 2]"
2 28 LYS 8.567 0.355 1 0 "[ . 1 . 2]"
2 29 VAL 3.092 0.148 3 0 "[ . 1 . 2]"
2 30 PHE 2.698 0.104 19 0 "[ . 1 . 2]"
2 31 LYS 1.134 0.116 14 0 "[ . 1 . 2]"
2 32 GLN 4.417 0.167 19 0 "[ . 1 . 2]"
2 33 TYR 0.846 0.073 13 0 "[ . 1 . 2]"
2 34 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 35 ASN 1.827 0.302 13 0 "[ . 1 . 2]"
2 36 ASP 1.764 0.204 7 0 "[ . 1 . 2]"
2 37 ASN 1.729 0.226 9 0 "[ . 1 . 2]"
2 38 GLY 2.195 0.204 7 0 "[ . 1 . 2]"
2 39 VAL 1.166 0.106 18 0 "[ . 1 . 2]"
2 40 ASP 0.071 0.026 18 0 "[ . 1 . 2]"
2 41 GLY 0.248 0.077 18 0 "[ . 1 . 2]"
2 42 GLU 0.522 0.106 18 0 "[ . 1 . 2]"
2 43 TRP 0.285 0.046 17 0 "[ . 1 . 2]"
2 44 THR 0.977 0.083 14 0 "[ . 1 . 2]"
2 45 TYR 0.891 0.083 14 0 "[ . 1 . 2]"
2 46 ASP 2.630 0.230 6 0 "[ . 1 . 2]"
2 47 ASP 0.624 0.125 6 0 "[ . 1 . 2]"
2 48 ALA 6.363 0.374 15 0 "[ . 1 . 2]"
2 49 THR 3.721 0.237 15 0 "[ . 1 . 2]"
2 50 LYS 4.072 0.171 15 0 "[ . 1 . 2]"
2 51 THR 5.370 0.374 15 0 "[ . 1 . 2]"
2 52 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 THR 0.324 0.029 7 0 "[ . 1 . 2]"
2 54 VAL 1.950 0.105 16 0 "[ . 1 . 2]"
2 55 THR 1.589 0.107 8 0 "[ . 1 . 2]"
2 56 GLU 1.578 0.211 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 20 ALA H 1 21 VAL MG1 5.500 . 5.500 5.669 5.638 5.699 0.199 8 0 "[ . 1 . 2]" 1
2 1 21 VAL MG1 1 24 ALA H 5.200 . 5.200 5.139 4.953 5.251 0.051 16 0 "[ . 1 . 2]" 1
3 1 21 VAL MG1 1 25 THR H 4.600 . 4.600 3.684 3.504 3.803 . 0 0 "[ . 1 . 2]" 1
4 1 21 VAL H 1 21 VAL MG1 2.800 . 2.800 1.943 1.824 2.029 . 0 0 "[ . 1 . 2]" 1
5 1 21 VAL MG1 1 22 ASP H 3.300 . 3.300 2.103 1.873 2.791 . 0 0 "[ . 1 . 2]" 1
6 1 42 GLU HB3 1 55 THR HB 4.700 . 4.700 3.247 2.478 3.525 . 0 0 "[ . 1 . 2]" 1
7 1 21 VAL MG1 1 25 THR HB 4.800 . 4.800 2.602 2.393 2.719 . 0 0 "[ . 1 . 2]" 1
8 1 21 VAL HA 1 21 VAL MG2 3.300 . 3.300 2.422 2.404 2.451 . 0 0 "[ . 1 . 2]" 1
9 1 20 ALA HA 1 21 VAL MG1 4.900 . 4.900 3.949 3.838 4.125 . 0 0 "[ . 1 . 2]" 1
10 1 42 GLU HB3 1 43 TRP H 5.300 . 5.300 4.228 3.469 4.393 . 0 0 "[ . 1 . 2]" 1
11 1 42 GLU HB2 1 55 THR HB 5.500 . 5.500 4.809 3.827 5.145 . 0 0 "[ . 1 . 2]" 1
12 1 20 ALA MB 1 21 VAL MG1 4.100 . 4.100 3.257 3.187 3.348 . 0 0 "[ . 1 . 2]" 1
13 1 42 GLU HB3 1 55 THR MG 4.500 . 4.500 4.326 3.919 4.487 . 0 0 "[ . 1 . 2]" 1
14 1 52 PHE H 1 52 PHE QD 4.600 . 4.600 2.888 2.780 2.995 . 0 0 "[ . 1 . 2]" 1
15 1 5 LEU HA 1 52 PHE H 4.700 . 4.700 2.930 2.766 3.034 . 0 0 "[ . 1 . 2]" 1
16 1 51 THR HB 1 52 PHE H 5.500 . 5.500 3.957 3.874 4.042 . 0 0 "[ . 1 . 2]" 1
17 1 4 LYS QB 1 52 PHE H 5.500 . 5.500 3.772 3.687 3.875 . 0 0 "[ . 1 . 2]" 1
18 1 55 THR H 1 56 GLU H 5.100 . 5.100 4.197 3.643 4.501 . 0 0 "[ . 1 . 2]" 1
19 1 55 THR HA 1 56 GLU H 3.000 . 3.000 2.199 2.037 2.345 . 0 0 "[ . 1 . 2]" 1
20 1 8 ASN HB2 1 56 GLU H 4.300 . 4.300 3.482 3.077 3.829 . 0 0 "[ . 1 . 2]" 1
21 1 8 ASN HB3 1 56 GLU H 5.500 . 5.500 4.501 3.967 5.053 . 0 0 "[ . 1 . 2]" 1
22 1 56 GLU H 1 56 GLU QG 3.900 . 3.900 3.151 2.137 3.938 0.038 8 0 "[ . 1 . 2]" 1
23 1 56 GLU H 1 56 GLU QB 3.600 . 3.600 2.454 2.181 3.013 . 0 0 "[ . 1 . 2]" 1
24 1 10 LYS QG 1 56 GLU H 5.500 . 5.500 5.414 4.908 5.619 0.119 12 0 "[ . 1 . 2]" 1
25 1 55 THR MG 1 56 GLU H 3.600 . 3.600 2.644 2.247 3.380 . 0 0 "[ . 1 . 2]" 1
26 1 40 ASP HA 1 43 TRP HE1 5.500 . 5.500 4.648 3.702 5.382 . 0 0 "[ . 1 . 2]" 1
27 1 43 TRP HE1 1 54 VAL MG2 5.400 . 5.400 3.816 3.381 4.105 . 0 0 "[ . 1 . 2]" 1
28 1 43 TRP HE1 1 54 VAL MG1 5.400 . 5.400 3.351 2.982 3.787 . 0 0 "[ . 1 . 2]" 1
29 1 46 ASP H 1 53 THR H 5.500 . 5.500 5.206 5.016 5.339 . 0 0 "[ . 1 . 2]" 1
30 1 46 ASP H 1 52 PHE HA 4.000 . 4.000 3.585 3.529 3.657 . 0 0 "[ . 1 . 2]" 1
31 1 45 TYR HA 1 46 ASP H 3.100 . 3.100 2.129 2.113 2.151 . 0 0 "[ . 1 . 2]" 1
32 1 46 ASP H 1 50 LYS HA 5.500 . 5.500 5.254 4.998 5.495 . 0 0 "[ . 1 . 2]" 1
33 1 46 ASP H 1 51 THR HB 5.500 . 5.500 4.085 3.735 4.210 . 0 0 "[ . 1 . 2]" 1
34 1 46 ASP H 1 46 ASP HB2 4.100 . 4.100 2.648 2.538 2.928 . 0 0 "[ . 1 . 2]" 1
35 1 46 ASP H 1 51 THR MG 5.500 . 5.500 4.539 4.441 4.608 . 0 0 "[ . 1 . 2]" 1
36 1 6 ILE H 1 7 LEU H 5.100 . 5.100 4.450 4.350 4.525 . 0 0 "[ . 1 . 2]" 1
37 1 7 LEU H 1 16 THR H 5.300 . 5.300 4.681 4.441 4.857 . 0 0 "[ . 1 . 2]" 1
38 1 7 LEU H 1 8 ASN H 5.200 . 5.200 4.261 4.230 4.332 . 0 0 "[ . 1 . 2]" 1
39 1 7 LEU H 1 15 GLU HA 4.200 . 4.200 3.164 2.968 3.299 . 0 0 "[ . 1 . 2]" 1
40 1 6 ILE HA 1 7 LEU H 3.000 . 3.000 2.162 2.098 2.228 . 0 0 "[ . 1 . 2]" 1
41 1 7 LEU H 1 15 GLU QB 5.000 . 5.000 4.854 4.666 4.989 . 0 0 "[ . 1 . 2]" 1
42 1 7 LEU H 1 7 LEU HB2 3.700 . 3.700 2.870 2.713 3.009 . 0 0 "[ . 1 . 2]" 1
43 1 7 LEU H 1 7 LEU HB3 3.700 . 3.700 2.500 2.361 2.621 . 0 0 "[ . 1 . 2]" 1
44 1 6 ILE MG 1 7 LEU H 3.600 . 3.600 2.749 2.635 2.886 . 0 0 "[ . 1 . 2]" 1
45 1 7 LEU H 1 7 LEU MD1 5.200 . 5.200 4.344 4.228 4.413 . 0 0 "[ . 1 . 2]" 1
46 1 7 LEU H 1 8 ASN HA 5.500 . 5.500 5.227 5.160 5.355 . 0 0 "[ . 1 . 2]" 1
47 1 7 LEU H 1 15 GLU QG 5.500 . 5.500 3.483 3.307 3.688 . 0 0 "[ . 1 . 2]" 1
48 1 6 ILE H 1 52 PHE H 5.000 . 5.000 3.961 3.701 4.140 . 0 0 "[ . 1 . 2]" 1
49 1 6 ILE H 1 54 VAL H 4.400 . 4.400 3.868 3.579 4.030 . 0 0 "[ . 1 . 2]" 1
50 1 43 TRP H 1 43 TRP HD1 3.800 . 3.800 2.471 2.150 3.714 . 0 0 "[ . 1 . 2]" 1
51 1 42 GLU HA 1 43 TRP H 3.200 . 3.200 2.139 2.112 2.157 . 0 0 "[ . 1 . 2]" 1
52 1 43 TRP H 1 43 TRP QB 3.400 . 3.400 2.378 2.238 3.002 . 0 0 "[ . 1 . 2]" 1
53 1 6 ILE H 1 52 PHE HA 5.500 . 5.500 5.046 4.952 5.095 . 0 0 "[ . 1 . 2]" 1
54 1 5 LEU HA 1 6 ILE H 3.200 . 3.200 2.186 2.162 2.206 . 0 0 "[ . 1 . 2]" 1
55 1 6 ILE H 1 6 ILE HB 3.600 . 3.600 2.572 2.501 2.618 . 0 0 "[ . 1 . 2]" 1
56 1 6 ILE H 1 6 ILE HG12 4.400 . 4.400 3.730 3.591 3.839 . 0 0 "[ . 1 . 2]" 1
57 1 6 ILE H 1 51 THR MG 4.300 . 4.300 3.587 3.307 3.871 . 0 0 "[ . 1 . 2]" 1
58 1 6 ILE H 1 6 ILE MD 4.300 . 4.300 3.875 3.728 3.966 . 0 0 "[ . 1 . 2]" 1
59 1 5 LEU MD1 1 6 ILE H 4.600 . 4.600 2.775 2.654 2.997 . 0 0 "[ . 1 . 2]" 1
60 1 5 LEU MD2 1 6 ILE H 4.600 . 4.600 2.821 2.400 3.188 . 0 0 "[ . 1 . 2]" 1
61 1 5 LEU HB2 1 6 ILE H 5.400 . 5.400 4.410 4.309 4.518 . 0 0 "[ . 1 . 2]" 1
62 1 3 TYR H 1 20 ALA H 4.500 . 4.500 4.474 4.212 4.573 0.073 17 0 "[ . 1 . 2]" 1
63 1 19 GLU H 1 20 ALA H 5.000 . 5.000 4.435 4.290 4.557 . 0 0 "[ . 1 . 2]" 1
64 1 20 ALA H 1 22 ASP H 5.500 . 5.500 5.440 4.898 5.599 0.099 3 0 "[ . 1 . 2]" 1
65 1 3 TYR QD 1 20 ALA H 3.800 . 3.800 2.743 2.613 3.039 . 0 0 "[ . 1 . 2]" 1
66 1 19 GLU HA 1 20 ALA H 2.900 . 2.900 2.153 2.093 2.237 . 0 0 "[ . 1 . 2]" 1
67 1 1 MET HA 1 20 ALA H 5.500 . 5.500 5.012 4.783 5.203 . 0 0 "[ . 1 . 2]" 1
68 1 20 ALA H 1 21 VAL HA 5.500 . 5.500 4.976 4.903 5.118 . 0 0 "[ . 1 . 2]" 1
69 1 3 TYR HB2 1 20 ALA H 5.200 . 5.200 4.764 4.565 4.902 . 0 0 "[ . 1 . 2]" 1
70 1 19 GLU HG2 1 20 ALA H 4.600 . 4.600 3.373 2.963 3.708 . 0 0 "[ . 1 . 2]" 1
71 1 19 GLU HG3 1 20 ALA H 4.600 . 4.600 2.954 2.432 4.677 0.077 18 0 "[ . 1 . 2]" 1
72 1 19 GLU QB 1 20 ALA H 4.600 . 4.600 3.773 3.699 3.846 . 0 0 "[ . 1 . 2]" 1
73 1 20 ALA H 1 20 ALA MB 3.600 . 3.600 2.534 2.447 2.585 . 0 0 "[ . 1 . 2]" 1
74 1 20 ALA H 1 25 THR MG 5.500 . 5.500 5.394 5.286 5.519 0.019 10 0 "[ . 1 . 2]" 1
75 1 20 ALA H 1 26 ALA MB 5.500 . 5.500 3.930 3.754 4.056 . 0 0 "[ . 1 . 2]" 1
76 1 18 THR MG 1 20 ALA H 4.900 . 4.900 4.003 3.775 4.257 . 0 0 "[ . 1 . 2]" 1
77 1 5 LEU H 1 6 ILE HA 5.500 . 5.500 4.947 4.895 4.998 . 0 0 "[ . 1 . 2]" 1
78 1 5 LEU H 1 5 LEU MD1 5.500 . 5.500 4.225 4.129 4.259 . 0 0 "[ . 1 . 2]" 1
79 1 8 ASN H 1 54 VAL H 4.600 . 4.600 3.904 3.739 4.197 . 0 0 "[ . 1 . 2]" 1
80 1 8 ASN H 1 56 GLU H 5.400 . 5.400 4.812 4.060 5.367 . 0 0 "[ . 1 . 2]" 1
81 1 8 ASN H 1 13 LYS HA 5.500 . 5.500 4.631 4.463 4.814 . 0 0 "[ . 1 . 2]" 1
82 1 8 ASN H 1 55 THR HA 4.300 . 4.300 3.482 3.263 3.683 . 0 0 "[ . 1 . 2]" 1
83 1 7 LEU HA 1 8 ASN H 3.000 . 3.000 1.953 1.888 2.068 . 0 0 "[ . 1 . 2]" 1
84 1 8 ASN H 1 9 GLY HA3 5.500 . 5.500 4.927 4.787 5.098 . 0 0 "[ . 1 . 2]" 1
85 1 8 ASN H 1 8 ASN HB2 3.500 . 3.500 3.061 2.911 3.192 . 0 0 "[ . 1 . 2]" 1
86 1 8 ASN H 1 8 ASN HB3 3.900 . 3.900 3.983 3.903 4.021 0.121 14 0 "[ . 1 . 2]" 1
87 1 7 LEU HB2 1 8 ASN H 5.300 . 5.300 4.144 3.965 4.262 . 0 0 "[ . 1 . 2]" 1
88 1 7 LEU HG 1 8 ASN H 5.000 . 5.000 3.178 2.886 3.405 . 0 0 "[ . 1 . 2]" 1
89 1 8 ASN H 1 53 THR MG 5.000 . 5.000 4.600 4.361 4.923 . 0 0 "[ . 1 . 2]" 1
90 1 6 ILE MG 1 8 ASN H 5.000 . 5.000 4.286 4.199 4.432 . 0 0 "[ . 1 . 2]" 1
91 1 7 LEU MD1 1 8 ASN H 5.500 . 5.500 2.553 2.030 4.599 . 0 0 "[ . 1 . 2]" 1
92 1 5 LEU H 1 16 THR H 3.900 . 3.900 3.132 3.020 3.253 . 0 0 "[ . 1 . 2]" 1
93 1 4 LYS H 1 5 LEU H 5.200 . 5.200 4.514 4.486 4.538 . 0 0 "[ . 1 . 2]" 1
94 1 5 LEU H 1 30 PHE QE 5.400 . 5.400 3.929 3.859 4.032 . 0 0 "[ . 1 . 2]" 1
95 1 5 LEU H 1 17 THR HA 4.500 . 4.500 3.475 3.431 3.543 . 0 0 "[ . 1 . 2]" 1
96 1 4 LYS HA 1 5 LEU H 3.400 . 3.400 2.281 2.254 2.298 . 0 0 "[ . 1 . 2]" 1
97 1 5 LEU H 1 16 THR HB 5.500 . 5.500 5.248 5.130 5.340 . 0 0 "[ . 1 . 2]" 1
98 1 4 LYS QB 1 5 LEU H 4.300 . 4.300 3.497 3.405 3.542 . 0 0 "[ . 1 . 2]" 1
99 1 4 LYS QD 1 5 LEU H 5.500 . 5.500 4.350 4.168 4.421 . 0 0 "[ . 1 . 2]" 1
100 1 4 LYS QG 1 5 LEU H 4.100 . 4.100 2.244 2.161 2.313 . 0 0 "[ . 1 . 2]" 1
101 1 5 LEU H 1 17 THR MG 4.600 . 4.600 4.431 4.110 4.587 . 0 0 "[ . 1 . 2]" 1
102 1 5 LEU H 1 5 LEU HB3 4.100 . 4.100 2.623 2.537 2.691 . 0 0 "[ . 1 . 2]" 1
103 1 5 LEU H 1 5 LEU MD2 5.500 . 5.500 4.371 4.350 4.398 . 0 0 "[ . 1 . 2]" 1
104 1 5 LEU H 1 5 LEU HB2 3.900 . 3.900 2.898 2.853 2.969 . 0 0 "[ . 1 . 2]" 1
105 1 18 THR H 1 19 GLU H 5.100 . 5.100 4.307 4.255 4.398 . 0 0 "[ . 1 . 2]" 1
106 1 19 GLU H 1 20 ALA HA 5.500 . 5.500 5.121 4.939 5.225 . 0 0 "[ . 1 . 2]" 1
107 1 18 THR HA 1 19 GLU H 3.100 . 3.100 2.338 2.293 2.373 . 0 0 "[ . 1 . 2]" 1
108 1 18 THR HB 1 19 GLU H 4.800 . 4.800 3.925 3.852 4.014 . 0 0 "[ . 1 . 2]" 1
109 1 19 GLU H 1 19 GLU HG2 5.500 . 5.500 4.533 4.474 4.662 . 0 0 "[ . 1 . 2]" 1
110 1 19 GLU H 1 19 GLU QB 3.200 . 3.200 2.539 2.484 2.616 . 0 0 "[ . 1 . 2]" 1
111 1 19 GLU H 1 20 ALA MB 5.500 . 5.500 4.506 4.261 4.658 . 0 0 "[ . 1 . 2]" 1
112 1 17 THR MG 1 19 GLU H 5.500 . 5.500 5.183 5.044 5.425 . 0 0 "[ . 1 . 2]" 1
113 1 19 GLU H 1 26 ALA MB 5.500 . 5.500 5.562 5.536 5.593 0.093 2 0 "[ . 1 . 2]" 1
114 1 18 THR MG 1 19 GLU H 4.400 . 4.400 3.316 3.233 3.494 . 0 0 "[ . 1 . 2]" 1
115 1 43 TRP HA 1 54 VAL H 5.500 . 5.500 5.146 4.973 5.466 . 0 0 "[ . 1 . 2]" 1
116 1 53 THR HA 1 54 VAL H 3.000 . 3.000 2.160 2.038 2.218 . 0 0 "[ . 1 . 2]" 1
117 1 7 LEU HA 1 54 VAL H 4.400 . 4.400 3.437 3.227 3.545 . 0 0 "[ . 1 . 2]" 1
118 1 8 ASN HB2 1 54 VAL H 5.500 . 5.500 5.117 4.876 5.547 0.047 19 0 "[ . 1 . 2]" 1
119 1 6 ILE HB 1 54 VAL H 4.400 . 4.400 3.503 3.417 3.616 . 0 0 "[ . 1 . 2]" 1
120 1 7 LEU HB2 1 54 VAL H 5.500 . 5.500 5.384 5.043 5.563 0.063 18 0 "[ . 1 . 2]" 1
121 1 6 ILE HG13 1 54 VAL H 5.500 . 5.500 5.563 5.536 5.606 0.106 11 0 "[ . 1 . 2]" 1
122 1 54 VAL H 1 54 VAL HB 3.700 . 3.700 2.842 2.647 3.024 . 0 0 "[ . 1 . 2]" 1
123 1 54 VAL H 1 54 VAL MG2 4.500 . 4.500 2.893 2.421 3.173 . 0 0 "[ . 1 . 2]" 1
124 1 54 VAL H 1 54 VAL MG1 4.500 . 4.500 3.982 3.900 4.056 . 0 0 "[ . 1 . 2]" 1
125 1 3 TYR H 1 19 GLU H 5.500 . 5.500 4.852 4.809 4.908 . 0 0 "[ . 1 . 2]" 1
126 1 2 GLN H 1 3 TYR H 5.400 . 5.400 4.597 4.570 4.621 . 0 0 "[ . 1 . 2]" 1
127 1 3 TYR H 1 3 TYR QD 3.700 . 3.700 3.137 3.016 3.308 . 0 0 "[ . 1 . 2]" 1
128 1 3 TYR H 1 17 THR HA 5.500 . 5.500 4.757 4.706 4.916 . 0 0 "[ . 1 . 2]" 1
129 1 3 TYR H 1 19 GLU HA 3.900 . 3.900 3.251 3.178 3.347 . 0 0 "[ . 1 . 2]" 1
130 1 2 GLN HA 1 3 TYR H 3.000 . 3.000 2.197 2.155 2.221 . 0 0 "[ . 1 . 2]" 1
131 1 3 TYR H 1 3 TYR HB3 3.900 . 3.900 3.819 3.790 3.851 . 0 0 "[ . 1 . 2]" 1
132 1 3 TYR H 1 3 TYR HB2 3.200 . 3.200 2.709 2.661 2.763 . 0 0 "[ . 1 . 2]" 1
133 1 2 GLN QB 1 3 TYR H 4.600 . 4.600 3.638 3.592 3.692 . 0 0 "[ . 1 . 2]" 1
134 1 3 TYR H 1 17 THR MG 5.000 . 5.000 3.403 3.334 3.551 . 0 0 "[ . 1 . 2]" 1
135 1 3 TYR H 1 26 ALA MB 5.100 . 5.100 4.238 4.077 4.346 . 0 0 "[ . 1 . 2]" 1
136 1 3 TYR H 1 18 THR MG 4.300 . 4.300 3.349 3.190 3.729 . 0 0 "[ . 1 . 2]" 1
137 1 2 GLN HE21 1 3 TYR H 5.400 . 5.400 3.147 2.755 4.376 . 0 0 "[ . 1 . 2]" 1
138 1 36 ASP HA 1 40 ASP H 4.300 . 4.300 3.285 2.428 3.939 . 0 0 "[ . 1 . 2]" 1
139 1 40 ASP H 1 56 GLU QG 5.500 . 5.500 4.981 3.779 5.327 . 0 0 "[ . 1 . 2]" 1
140 1 39 VAL HB 1 40 ASP H 4.700 . 4.700 3.691 2.281 4.512 . 0 0 "[ . 1 . 2]" 1
141 1 46 ASP H 1 47 ASP H 4.700 . 4.700 4.219 4.094 4.431 . 0 0 "[ . 1 . 2]" 1
142 1 47 ASP H 1 49 THR H 5.300 . 5.300 4.274 4.036 4.471 . 0 0 "[ . 1 . 2]" 1
143 1 46 ASP HA 1 47 ASP H 2.800 . 2.800 2.264 2.167 2.366 . 0 0 "[ . 1 . 2]" 1
144 1 47 ASP H 1 47 ASP HB2 3.300 . 3.300 2.495 2.188 3.426 0.126 2 0 "[ . 1 . 2]" 1
145 1 47 ASP H 1 47 ASP HB3 3.300 . 3.300 2.452 2.234 2.592 . 0 0 "[ . 1 . 2]" 1
146 1 47 ASP H 1 48 ALA MB 4.900 . 4.900 4.258 4.090 4.406 . 0 0 "[ . 1 . 2]" 1
147 1 47 ASP H 1 49 THR MG 5.500 . 5.500 5.283 4.925 5.703 0.203 4 0 "[ . 1 . 2]" 1
148 1 11 THR H 1 12 LEU H 3.100 . 3.100 2.310 1.800 2.584 . 0 0 "[ . 1 . 2]" 1
149 1 12 LEU H 1 13 LYS H 5.200 . 5.200 4.320 4.171 4.510 . 0 0 "[ . 1 . 2]" 1
150 1 11 THR HB 1 12 LEU H 3.800 . 3.800 3.385 2.761 3.923 0.123 9 0 "[ . 1 . 2]" 1
151 1 10 LYS QB 1 12 LEU H 5.500 . 5.500 4.720 4.447 5.071 . 0 0 "[ . 1 . 2]" 1
152 1 12 LEU H 1 13 LYS QG 4.800 . 4.800 3.884 3.546 4.493 . 0 0 "[ . 1 . 2]" 1
153 1 12 LEU H 1 12 LEU QB 3.400 . 3.400 2.852 2.343 2.966 . 0 0 "[ . 1 . 2]" 1
154 1 26 ALA H 1 29 VAL H 5.400 . 5.400 4.839 4.795 4.887 . 0 0 "[ . 1 . 2]" 1
155 1 25 THR H 1 26 ALA H 3.200 . 3.200 2.859 2.744 2.982 . 0 0 "[ . 1 . 2]" 1
156 1 22 ASP HA 1 26 ALA H 5.500 . 5.500 5.055 4.944 5.181 . 0 0 "[ . 1 . 2]" 1
157 1 25 THR HB 1 26 ALA H 3.400 . 3.400 2.488 2.335 2.629 . 0 0 "[ . 1 . 2]" 1
158 1 26 ALA H 1 28 LYS QB 5.400 . 5.400 4.881 4.808 4.933 . 0 0 "[ . 1 . 2]" 1
159 1 20 ALA MB 1 26 ALA H 3.600 . 3.600 2.350 2.243 2.475 . 0 0 "[ . 1 . 2]" 1
160 1 26 ALA H 1 26 ALA MB 3.300 . 3.300 2.238 2.204 2.274 . 0 0 "[ . 1 . 2]" 1
161 1 18 THR MG 1 26 ALA H 5.500 . 5.500 4.562 4.460 4.743 . 0 0 "[ . 1 . 2]" 1
162 1 53 THR MG 1 55 THR H 5.000 . 5.000 4.460 4.232 4.930 . 0 0 "[ . 1 . 2]" 1
163 1 43 TRP HA 1 55 THR H 5.100 . 5.100 4.212 3.988 4.448 . 0 0 "[ . 1 . 2]" 1
164 1 54 VAL HA 1 55 THR H 2.900 . 2.900 2.126 2.039 2.199 . 0 0 "[ . 1 . 2]" 1
165 1 55 THR H 1 55 THR HB 3.400 . 3.400 3.136 2.992 3.261 . 0 0 "[ . 1 . 2]" 1
166 1 41 GLY HA3 1 55 THR H 5.300 . 5.300 3.179 2.611 3.889 . 0 0 "[ . 1 . 2]" 1
167 1 55 THR H 1 55 THR MG 4.500 . 4.500 4.128 4.064 4.174 . 0 0 "[ . 1 . 2]" 1
168 1 54 VAL HB 1 55 THR H 5.200 . 5.200 3.914 3.753 4.049 . 0 0 "[ . 1 . 2]" 1
169 1 54 VAL MG2 1 55 THR H 5.000 . 5.000 3.914 3.662 4.055 . 0 0 "[ . 1 . 2]" 1
170 1 54 VAL MG1 1 55 THR H 5.000 . 5.000 2.367 2.132 2.549 . 0 0 "[ . 1 . 2]" 1
171 1 2 GLN H 1 2 GLN HE21 5.500 . 5.500 5.065 4.928 5.362 . 0 0 "[ . 1 . 2]" 1
172 1 1 MET HA 1 2 GLN H 2.800 . 2.800 2.240 2.161 2.453 . 0 0 "[ . 1 . 2]" 1
173 1 1 MET HG3 1 2 GLN H 3.500 . 3.500 3.017 2.606 3.563 0.063 19 0 "[ . 1 . 2]" 1
174 1 2 GLN H 1 2 GLN QB 3.000 . 3.000 2.271 2.233 2.316 . 0 0 "[ . 1 . 2]" 1
175 1 50 LYS H 1 51 THR H 3.600 . 3.600 3.005 2.542 3.237 . 0 0 "[ . 1 . 2]" 1
176 1 49 THR HA 1 50 LYS H 3.500 . 3.500 3.210 3.094 3.429 . 0 0 "[ . 1 . 2]" 1
177 1 50 LYS H 1 50 LYS HA 2.900 . 2.900 2.270 2.221 2.308 . 0 0 "[ . 1 . 2]" 1
178 1 50 LYS H 1 51 THR HB 5.500 . 5.500 5.141 4.710 5.458 . 0 0 "[ . 1 . 2]" 1
179 1 46 ASP HB2 1 50 LYS H 5.500 . 5.500 5.453 4.968 5.731 0.231 11 0 "[ . 1 . 2]" 1
180 1 46 ASP HB3 1 50 LYS H 5.500 . 5.500 4.926 4.097 5.380 . 0 0 "[ . 1 . 2]" 1
181 1 50 LYS H 1 50 LYS HD2 3.900 . 3.900 3.725 1.982 4.088 0.188 11 0 "[ . 1 . 2]" 1
182 1 50 LYS H 1 50 LYS HD3 3.900 . 3.900 2.674 2.380 3.805 . 0 0 "[ . 1 . 2]" 1
183 1 49 THR MG 1 50 LYS H 4.400 . 4.400 3.821 3.193 4.334 . 0 0 "[ . 1 . 2]" 1
184 1 2 GLN H 1 19 GLU HA 5.500 . 5.500 4.633 4.441 4.770 . 0 0 "[ . 1 . 2]" 1
185 1 4 LYS H 1 52 PHE QD 5.400 . 5.400 3.444 3.341 3.525 . 0 0 "[ . 1 . 2]" 1
186 1 4 LYS H 1 50 LYS HA 5.500 . 5.500 5.067 4.845 5.228 . 0 0 "[ . 1 . 2]" 1
187 1 4 LYS H 1 51 THR MG 4.900 . 4.900 3.977 3.867 4.138 . 0 0 "[ . 1 . 2]" 1
188 1 4 LYS H 1 52 PHE H 4.700 . 4.700 3.796 3.669 3.979 . 0 0 "[ . 1 . 2]" 1
189 1 3 TYR QD 1 4 LYS H 4.300 . 4.300 3.756 3.615 3.897 . 0 0 "[ . 1 . 2]" 1
190 1 4 LYS H 1 17 THR HA 5.500 . 5.500 4.852 4.812 4.922 . 0 0 "[ . 1 . 2]" 1
191 1 4 LYS H 1 51 THR HA 3.300 . 3.300 2.593 2.488 2.662 . 0 0 "[ . 1 . 2]" 1
192 1 3 TYR HA 1 4 LYS H 3.200 . 3.200 2.352 2.298 2.375 . 0 0 "[ . 1 . 2]" 1
193 1 4 LYS H 1 51 THR HB 5.500 . 5.500 5.436 5.298 5.569 0.069 4 0 "[ . 1 . 2]" 1
194 1 3 TYR HB3 1 4 LYS H 3.500 . 3.500 2.656 2.604 2.724 . 0 0 "[ . 1 . 2]" 1
195 1 3 TYR HB2 1 4 LYS H 4.100 . 4.100 3.836 3.785 3.904 . 0 0 "[ . 1 . 2]" 1
196 1 4 LYS H 1 4 LYS QB 3.400 . 3.400 2.493 2.432 2.591 . 0 0 "[ . 1 . 2]" 1
197 1 4 LYS H 1 4 LYS QD 5.500 . 5.500 4.727 4.616 5.193 . 0 0 "[ . 1 . 2]" 1
198 1 4 LYS H 1 4 LYS QG 4.700 . 4.700 4.123 4.084 4.181 . 0 0 "[ . 1 . 2]" 1
199 1 4 LYS H 1 17 THR MG 5.000 . 5.000 4.340 4.245 4.449 . 0 0 "[ . 1 . 2]" 1
200 1 4 LYS H 1 26 ALA MB 5.500 . 5.500 4.792 4.695 4.899 . 0 0 "[ . 1 . 2]" 1
201 1 45 TYR H 1 52 PHE QD 5.500 . 5.500 5.153 5.044 5.313 . 0 0 "[ . 1 . 2]" 1
202 1 44 THR HA 1 45 TYR H 2.900 . 2.900 2.395 2.350 2.436 . 0 0 "[ . 1 . 2]" 1
203 1 45 TYR H 1 46 ASP HA 5.500 . 5.500 5.031 4.971 5.150 . 0 0 "[ . 1 . 2]" 1
204 1 45 TYR H 1 45 TYR HB2 3.900 . 3.900 3.289 3.228 3.362 . 0 0 "[ . 1 . 2]" 1
205 1 45 TYR H 1 45 TYR HB3 3.900 . 3.900 2.683 2.611 2.758 . 0 0 "[ . 1 . 2]" 1
206 1 44 THR MG 1 45 TYR H 3.700 . 3.700 2.384 2.231 3.087 . 0 0 "[ . 1 . 2]" 1
207 1 45 TYR H 1 46 ASP H 5.100 . 5.100 4.311 4.279 4.342 . 0 0 "[ . 1 . 2]" 1
208 1 45 TYR H 1 52 PHE HA 5.500 . 5.500 4.802 4.761 4.854 . 0 0 "[ . 1 . 2]" 1
209 1 23 ALA H 1 24 ALA H 3.400 . 3.400 3.093 2.970 3.245 . 0 0 "[ . 1 . 2]" 1
210 1 23 ALA H 1 26 ALA H 5.500 . 5.500 4.854 4.763 4.948 . 0 0 "[ . 1 . 2]" 1
211 1 22 ASP HA 1 23 ALA H 3.100 . 3.100 2.218 2.075 2.323 . 0 0 "[ . 1 . 2]" 1
212 1 23 ALA H 1 24 ALA HA 5.500 . 5.500 5.632 5.591 5.685 0.185 7 0 "[ . 1 . 2]" 1
213 1 22 ASP QB 1 23 ALA H 2.900 . 2.900 2.744 2.332 3.175 0.275 4 0 "[ . 1 . 2]" 1
214 1 23 ALA H 1 24 ALA MB 5.200 . 5.200 4.724 4.566 4.938 . 0 0 "[ . 1 . 2]" 1
215 1 23 ALA H 1 23 ALA MB 2.900 . 2.900 2.260 2.212 2.396 . 0 0 "[ . 1 . 2]" 1
216 1 23 ALA H 1 26 ALA MB 5.200 . 5.200 4.504 4.231 4.735 . 0 0 "[ . 1 . 2]" 1
217 1 42 GLU H 1 43 TRP H 5.200 . 5.200 4.467 4.400 4.552 . 0 0 "[ . 1 . 2]" 1
218 1 42 GLU H 1 56 GLU H 5.500 . 5.500 4.871 4.171 5.154 . 0 0 "[ . 1 . 2]" 1
219 1 42 GLU H 1 43 TRP HD1 5.500 . 5.500 5.074 4.831 5.424 . 0 0 "[ . 1 . 2]" 1
220 1 42 GLU H 1 54 VAL HA 5.300 . 5.300 4.731 4.579 4.902 . 0 0 "[ . 1 . 2]" 1
221 1 41 GLY HA2 1 42 GLU H 3.200 . 3.200 2.472 2.336 2.715 . 0 0 "[ . 1 . 2]" 1
222 1 42 GLU H 1 55 THR HB 4.300 . 4.300 4.003 3.804 4.223 . 0 0 "[ . 1 . 2]" 1
223 1 41 GLY HA3 1 42 GLU H 3.400 . 3.400 2.504 2.244 2.704 . 0 0 "[ . 1 . 2]" 1
224 1 42 GLU H 1 42 GLU HG3 5.500 . 5.500 4.533 4.495 4.595 . 0 0 "[ . 1 . 2]" 1
225 1 42 GLU H 1 42 GLU HB3 4.200 . 4.200 2.494 2.447 2.555 . 0 0 "[ . 1 . 2]" 1
226 1 42 GLU H 1 55 THR MG 5.100 . 5.100 4.532 4.398 4.658 . 0 0 "[ . 1 . 2]" 1
227 1 24 ALA H 1 25 THR H 3.200 . 3.200 2.641 2.561 2.717 . 0 0 "[ . 1 . 2]" 1
228 1 24 ALA H 1 26 ALA H 5.000 . 5.000 4.169 4.058 4.288 . 0 0 "[ . 1 . 2]" 1
229 1 22 ASP H 1 24 ALA H 5.100 . 5.100 4.420 4.266 4.521 . 0 0 "[ . 1 . 2]" 1
230 1 24 ALA H 1 28 LYS H 5.500 . 5.500 5.857 5.819 5.899 0.399 3 0 "[ . 1 . 2]" 1
231 1 22 ASP HA 1 24 ALA H 5.000 . 5.000 4.302 4.154 4.477 . 0 0 "[ . 1 . 2]" 1
232 1 24 ALA H 1 25 THR HA 5.500 . 5.500 5.210 5.150 5.276 . 0 0 "[ . 1 . 2]" 1
233 1 22 ASP QB 1 24 ALA H 3.900 . 3.900 2.832 2.287 3.363 . 0 0 "[ . 1 . 2]" 1
234 1 24 ALA H 1 24 ALA MB 2.800 . 2.800 2.245 2.210 2.314 . 0 0 "[ . 1 . 2]" 1
235 1 23 ALA MB 1 24 ALA H 3.700 . 3.700 2.908 2.844 2.967 . 0 0 "[ . 1 . 2]" 1
236 1 24 ALA H 1 26 ALA MB 5.500 . 5.500 4.698 4.542 4.839 . 0 0 "[ . 1 . 2]" 1
237 1 29 VAL H 1 31 LYS H 5.300 . 5.300 4.258 4.186 4.317 . 0 0 "[ . 1 . 2]" 1
238 1 29 VAL H 1 30 PHE H 3.700 . 3.700 3.083 3.015 3.144 . 0 0 "[ . 1 . 2]" 1
239 1 28 LYS H 1 29 VAL H 3.500 . 3.500 2.723 2.644 2.771 . 0 0 "[ . 1 . 2]" 1
240 1 29 VAL H 1 30 PHE QD 5.500 . 5.500 5.508 5.465 5.534 0.034 6 0 "[ . 1 . 2]" 1
241 1 29 VAL H 1 30 PHE HA 5.500 . 5.500 5.557 5.532 5.576 0.076 3 0 "[ . 1 . 2]" 1
242 1 25 THR HB 1 29 VAL H 5.500 . 5.500 5.588 5.561 5.626 0.126 20 0 "[ . 1 . 2]" 1
243 1 29 VAL H 1 30 PHE HB2 5.500 . 5.500 5.208 5.120 5.320 . 0 0 "[ . 1 . 2]" 1
244 1 26 ALA HA 1 29 VAL H 4.200 . 4.200 3.459 3.362 3.567 . 0 0 "[ . 1 . 2]" 1
245 1 27 GLU HA 1 29 VAL H 5.200 . 5.200 4.849 4.602 4.951 . 0 0 "[ . 1 . 2]" 1
246 1 29 VAL H 1 32 GLN HB2 5.200 . 5.200 4.998 4.896 5.203 0.003 10 0 "[ . 1 . 2]" 1
247 1 29 VAL H 1 29 VAL HB 3.000 . 3.000 2.507 2.466 2.602 . 0 0 "[ . 1 . 2]" 1
248 1 27 GLU QB 1 29 VAL H 5.500 . 5.500 5.254 5.033 5.579 0.079 3 0 "[ . 1 . 2]" 1
249 1 29 VAL H 1 31 LYS QB 5.500 . 5.500 5.175 5.066 5.296 . 0 0 "[ . 1 . 2]" 1
250 1 28 LYS HG2 1 29 VAL H 5.500 . 5.500 3.741 3.420 4.577 . 0 0 "[ . 1 . 2]" 1
251 1 25 THR MG 1 29 VAL H 5.500 . 5.500 3.848 3.739 3.913 . 0 0 "[ . 1 . 2]" 1
252 1 28 LYS HG3 1 29 VAL H 5.500 . 5.500 4.732 4.557 4.951 . 0 0 "[ . 1 . 2]" 1
253 1 29 VAL H 1 29 VAL MG2 4.500 . 4.500 2.090 2.023 2.159 . 0 0 "[ . 1 . 2]" 1
254 1 29 VAL H 1 29 VAL MG1 4.500 . 4.500 3.790 3.773 3.803 . 0 0 "[ . 1 . 2]" 1
255 1 18 THR MG 1 29 VAL H 5.500 . 5.500 4.732 4.582 4.880 . 0 0 "[ . 1 . 2]" 1
256 1 15 GLU H 1 16 THR H 5.100 . 5.100 4.220 4.125 4.302 . 0 0 "[ . 1 . 2]" 1
257 1 14 GLY HA2 1 15 GLU H 3.400 . 3.400 2.591 2.533 2.696 . 0 0 "[ . 1 . 2]" 1
258 1 14 GLY HA3 1 15 GLU H 3.400 . 3.400 2.391 2.325 2.430 . 0 0 "[ . 1 . 2]" 1
259 1 15 GLU H 1 15 GLU QG 4.500 . 4.500 3.330 3.255 3.393 . 0 0 "[ . 1 . 2]" 1
260 1 15 GLU H 1 15 GLU QB 3.600 . 3.600 2.802 2.755 2.892 . 0 0 "[ . 1 . 2]" 1
261 1 7 LEU HB2 1 15 GLU H 5.500 . 5.500 5.481 5.304 5.531 0.031 8 0 "[ . 1 . 2]" 1
262 1 47 ASP H 1 48 ALA H 3.500 . 3.500 2.668 2.498 2.987 . 0 0 "[ . 1 . 2]" 1
263 1 48 ALA H 1 50 LYS H 4.400 . 4.400 4.125 2.950 4.376 . 0 0 "[ . 1 . 2]" 1
264 1 48 ALA H 1 51 THR H 5.500 . 5.500 5.553 4.690 5.794 0.294 11 0 "[ . 1 . 2]" 1
265 1 46 ASP HA 1 48 ALA H 4.200 . 4.200 3.857 3.635 4.117 . 0 0 "[ . 1 . 2]" 1
266 1 48 ALA H 1 48 ALA MB 2.800 . 2.800 2.256 2.195 2.532 . 0 0 "[ . 1 . 2]" 1
267 1 48 ALA H 1 49 THR MG 4.900 . 4.900 4.235 3.704 4.369 . 0 0 "[ . 1 . 2]" 1
268 1 39 VAL H 1 40 ASP H 4.200 . 4.200 2.675 1.966 3.085 . 0 0 "[ . 1 . 2]" 1
269 1 38 GLY H 1 39 VAL H 3.800 . 3.800 2.148 1.823 2.892 . 0 0 "[ . 1 . 2]" 1
270 1 36 ASP HA 1 39 VAL H 5.100 . 5.100 4.165 3.067 5.094 . 0 0 "[ . 1 . 2]" 1
271 1 39 VAL H 1 40 ASP HA 5.500 . 5.500 4.858 4.187 5.379 . 0 0 "[ . 1 . 2]" 1
272 1 39 VAL H 1 56 GLU QG 5.500 . 5.500 5.424 4.873 5.576 0.076 20 0 "[ . 1 . 2]" 1
273 1 39 VAL H 1 39 VAL HB 4.000 . 4.000 3.013 2.460 3.912 . 0 0 "[ . 1 . 2]" 1
274 1 10 LYS H 1 56 GLU H 5.500 . 5.500 5.465 5.019 5.607 0.107 17 0 "[ . 1 . 2]" 1
275 1 10 LYS H 1 12 LEU H 4.400 . 4.400 3.763 3.191 4.252 . 0 0 "[ . 1 . 2]" 1
276 1 9 GLY HA2 1 10 LYS H 3.400 . 3.400 2.460 2.345 2.626 . 0 0 "[ . 1 . 2]" 1
277 1 9 GLY HA3 1 10 LYS H 3.400 . 3.400 2.556 2.309 2.652 . 0 0 "[ . 1 . 2]" 1
278 1 10 LYS H 1 10 LYS QB 3.300 . 3.300 2.476 2.375 3.118 . 0 0 "[ . 1 . 2]" 1
279 1 10 LYS H 1 10 LYS QD 5.000 . 5.000 3.901 3.246 4.460 . 0 0 "[ . 1 . 2]" 1
280 1 10 LYS H 1 10 LYS QG 3.900 . 3.900 2.375 2.162 2.575 . 0 0 "[ . 1 . 2]" 1
281 1 10 LYS H 1 11 THR MG 5.500 . 5.500 4.920 4.265 5.604 0.104 7 0 "[ . 1 . 2]" 1
282 1 10 LYS H 1 10 LYS QE 5.500 . 5.500 4.497 3.243 5.157 . 0 0 "[ . 1 . 2]" 1
283 1 34 PHE QD 1 35 ASN H 5.500 . 5.500 4.649 3.967 5.138 . 0 0 "[ . 1 . 2]" 1
284 1 35 ASN H 1 35 ASN QB 3.800 . 3.800 2.816 2.060 3.482 . 0 0 "[ . 1 . 2]" 1
285 1 13 LYS H 1 14 GLY H 4.900 . 4.900 4.467 4.365 4.535 . 0 0 "[ . 1 . 2]" 1
286 1 12 LEU HA 1 13 LYS H 3.000 . 3.000 2.248 2.200 2.279 . 0 0 "[ . 1 . 2]" 1
287 1 13 LYS H 1 13 LYS HB3 4.100 . 4.100 3.865 3.790 3.906 . 0 0 "[ . 1 . 2]" 1
288 1 13 LYS H 1 13 LYS HB2 3.300 . 3.300 2.773 2.635 2.837 . 0 0 "[ . 1 . 2]" 1
289 1 13 LYS H 1 13 LYS QG 3.900 . 3.900 3.207 3.040 3.366 . 0 0 "[ . 1 . 2]" 1
290 1 12 LEU HG 1 13 LYS H 3.500 . 3.500 2.462 2.266 2.748 . 0 0 "[ . 1 . 2]" 1
291 1 30 PHE H 1 32 GLN H 5.300 . 5.300 4.405 4.342 4.455 . 0 0 "[ . 1 . 2]" 1
292 1 32 GLN H 1 32 GLN HE22 5.500 . 5.500 4.967 3.909 5.584 0.084 10 0 "[ . 1 . 2]" 1
293 1 32 GLN H 1 32 GLN HE21 5.500 . 5.500 3.729 2.667 4.848 . 0 0 "[ . 1 . 2]" 1
294 1 32 GLN H 1 43 TRP HH2 5.500 . 5.500 5.506 5.418 5.550 0.050 3 0 "[ . 1 . 2]" 1
295 1 31 LYS H 1 32 GLN H 3.800 . 3.800 2.671 2.602 2.750 . 0 0 "[ . 1 . 2]" 1
296 1 32 GLN H 1 34 PHE H 5.000 . 5.000 4.033 3.955 4.177 . 0 0 "[ . 1 . 2]" 1
297 1 32 GLN H 1 33 TYR H 3.600 . 3.600 2.796 2.667 2.854 . 0 0 "[ . 1 . 2]" 1
298 1 32 GLN H 1 33 TYR QD 5.500 . 5.500 4.112 3.839 4.404 . 0 0 "[ . 1 . 2]" 1
299 1 30 PHE HA 1 32 GLN H 5.500 . 5.500 4.277 4.026 4.413 . 0 0 "[ . 1 . 2]" 1
300 1 29 VAL HA 1 32 GLN H 4.500 . 4.500 3.388 3.281 3.454 . 0 0 "[ . 1 . 2]" 1
301 1 30 PHE HB3 1 32 GLN H 5.500 . 5.500 5.620 5.574 5.665 0.165 18 0 "[ . 1 . 2]" 1
302 1 32 GLN H 1 32 GLN HB3 3.500 . 3.500 3.049 2.516 3.400 . 0 0 "[ . 1 . 2]" 1
303 1 29 VAL HB 1 32 GLN H 5.500 . 5.500 5.526 5.493 5.552 0.052 2 0 "[ . 1 . 2]" 1
304 1 31 LYS QB 1 32 GLN H 4.100 . 4.100 3.132 3.006 3.231 . 0 0 "[ . 1 . 2]" 1
305 1 29 VAL MG2 1 32 GLN H 5.500 . 5.500 5.178 5.083 5.290 . 0 0 "[ . 1 . 2]" 1
306 1 29 VAL MG1 1 32 GLN H 5.500 . 5.500 4.620 4.484 4.715 . 0 0 "[ . 1 . 2]" 1
307 1 30 PHE H 1 31 LYS H 4.000 . 4.000 3.042 2.991 3.109 . 0 0 "[ . 1 . 2]" 1
308 1 31 LYS H 1 33 TYR H 5.400 . 5.400 4.374 4.228 4.516 . 0 0 "[ . 1 . 2]" 1
309 1 28 LYS H 1 31 LYS H 5.500 . 5.500 4.614 4.532 4.700 . 0 0 "[ . 1 . 2]" 1
310 1 31 LYS H 1 43 TRP HH2 4.800 . 4.800 3.643 3.417 3.803 . 0 0 "[ . 1 . 2]" 1
311 1 31 LYS H 1 43 TRP HZ3 5.500 . 5.500 4.626 4.393 4.994 . 0 0 "[ . 1 . 2]" 1
312 1 28 LYS HA 1 31 LYS H 4.500 . 4.500 3.460 3.325 3.702 . 0 0 "[ . 1 . 2]" 1
313 1 30 PHE HB2 1 31 LYS H 4.700 . 4.700 2.860 2.720 3.067 . 0 0 "[ . 1 . 2]" 1
314 1 30 PHE HB3 1 31 LYS H 4.100 . 4.100 3.755 3.662 3.916 . 0 0 "[ . 1 . 2]" 1
315 1 31 LYS H 1 32 GLN HB2 5.000 . 5.000 4.436 4.309 4.609 . 0 0 "[ . 1 . 2]" 1
316 1 31 LYS H 1 31 LYS QB 3.500 . 3.500 2.337 2.249 2.378 . 0 0 "[ . 1 . 2]" 1
317 1 30 PHE H 1 30 PHE QD 4.300 . 4.300 3.223 3.141 3.306 . 0 0 "[ . 1 . 2]" 1
318 1 30 PHE H 1 30 PHE HB2 4.000 . 4.000 2.677 2.610 2.755 . 0 0 "[ . 1 . 2]" 1
319 1 26 ALA HA 1 30 PHE H 5.300 . 5.300 3.808 3.701 3.947 . 0 0 "[ . 1 . 2]" 1
320 1 27 GLU HA 1 30 PHE H 4.700 . 4.700 3.756 3.340 3.954 . 0 0 "[ . 1 . 2]" 1
321 1 30 PHE H 1 32 GLN HB2 5.500 . 5.500 5.247 5.037 5.583 0.083 12 0 "[ . 1 . 2]" 1
322 1 29 VAL HB 1 30 PHE H 3.500 . 3.500 2.316 2.215 2.402 . 0 0 "[ . 1 . 2]" 1
323 1 29 VAL MG1 1 30 PHE H 4.600 . 4.600 2.996 2.869 3.098 . 0 0 "[ . 1 . 2]" 1
324 1 18 THR MG 1 30 PHE H 5.000 . 5.000 3.710 3.531 3.906 . 0 0 "[ . 1 . 2]" 1
325 1 30 PHE H 1 33 TYR H 5.500 . 5.500 5.127 4.892 5.340 . 0 0 "[ . 1 . 2]" 1
326 1 37 ASN H 1 40 ASP H 5.500 . 5.500 4.689 4.219 5.533 0.033 7 0 "[ . 1 . 2]" 1
327 1 52 PHE H 1 53 THR H 5.400 . 5.400 4.410 4.381 4.454 . 0 0 "[ . 1 . 2]" 1
328 1 45 TYR H 1 53 THR H 5.000 . 5.000 4.912 4.805 5.021 0.021 4 0 "[ . 1 . 2]" 1
329 1 53 THR H 1 54 VAL H 5.100 . 5.100 4.301 3.936 4.396 . 0 0 "[ . 1 . 2]" 1
330 1 52 PHE QD 1 53 THR H 4.900 . 4.900 3.722 3.556 3.841 . 0 0 "[ . 1 . 2]" 1
331 1 52 PHE HA 1 53 THR H 3.100 . 3.100 2.281 2.247 2.343 . 0 0 "[ . 1 . 2]" 1
332 1 43 TRP HA 1 53 THR H 5.500 . 5.500 4.450 4.232 4.602 . 0 0 "[ . 1 . 2]" 1
333 1 44 THR HA 1 53 THR H 5.200 . 5.200 4.758 4.713 4.845 . 0 0 "[ . 1 . 2]" 1
334 1 44 THR HB 1 53 THR H 4.900 . 4.900 3.453 3.207 5.041 0.141 9 0 "[ . 1 . 2]" 1
335 1 53 THR H 1 53 THR HB 3.400 . 3.400 2.944 2.859 3.043 . 0 0 "[ . 1 . 2]" 1
336 1 6 ILE HB 1 53 THR H 5.500 . 5.500 5.119 5.022 5.188 . 0 0 "[ . 1 . 2]" 1
337 1 44 THR MG 1 53 THR H 4.800 . 4.800 4.368 2.859 4.676 . 0 0 "[ . 1 . 2]" 1
338 1 53 THR H 1 53 THR MG 4.700 . 4.700 4.044 4.010 4.082 . 0 0 "[ . 1 . 2]" 1
339 1 6 ILE MD 1 53 THR H 5.500 . 5.500 5.529 5.519 5.551 0.051 14 0 "[ . 1 . 2]" 1
340 1 30 PHE H 1 43 TRP HZ3 5.500 . 5.500 5.422 5.233 5.543 0.043 15 0 "[ . 1 . 2]" 1
341 1 30 PHE H 1 31 LYS QB 5.300 . 5.300 5.029 4.966 5.102 . 0 0 "[ . 1 . 2]" 1
342 1 28 LYS H 1 30 PHE H 5.000 . 5.000 4.395 4.338 4.447 . 0 0 "[ . 1 . 2]" 1
343 1 29 VAL MG2 1 30 PHE H 4.600 . 4.600 3.843 3.776 3.896 . 0 0 "[ . 1 . 2]" 1
344 1 26 ALA H 1 28 LYS H 4.800 . 4.800 4.177 4.131 4.259 . 0 0 "[ . 1 . 2]" 1
345 1 5 LEU HA 1 16 THR H 5.500 . 5.500 4.779 4.696 4.835 . 0 0 "[ . 1 . 2]" 1
346 1 22 ASP H 1 25 THR H 4.200 . 4.200 3.248 3.068 3.512 . 0 0 "[ . 1 . 2]" 1
347 1 25 THR H 1 25 THR HB 3.100 . 3.100 2.450 2.353 2.548 . 0 0 "[ . 1 . 2]" 1
348 1 24 ALA MB 1 25 THR H 3.100 . 3.100 2.688 2.533 2.854 . 0 0 "[ . 1 . 2]" 1
349 1 27 GLU H 1 29 VAL H 5.100 . 5.100 4.219 4.044 4.351 . 0 0 "[ . 1 . 2]" 1
350 1 27 GLU H 1 28 LYS H 3.400 . 3.400 2.496 2.292 2.619 . 0 0 "[ . 1 . 2]" 1
351 1 27 GLU H 1 30 PHE QD 5.400 . 5.400 4.467 4.386 4.551 . 0 0 "[ . 1 . 2]" 1
352 1 27 GLU H 1 30 PHE HB2 5.500 . 5.500 5.191 5.079 5.249 . 0 0 "[ . 1 . 2]" 1
353 1 23 ALA HA 1 27 GLU H 3.900 . 3.900 3.940 3.899 3.985 0.085 10 0 "[ . 1 . 2]" 1
354 1 26 ALA MB 1 27 GLU H 3.500 . 3.500 2.687 2.615 2.772 . 0 0 "[ . 1 . 2]" 1
355 1 18 THR MG 1 27 GLU H 5.500 . 5.500 5.129 5.027 5.370 . 0 0 "[ . 1 . 2]" 1
356 1 28 LYS H 1 30 PHE QD 5.500 . 5.500 5.539 5.518 5.575 0.075 12 0 "[ . 1 . 2]" 1
357 1 26 ALA HA 1 28 LYS H 5.200 . 5.200 4.208 4.152 4.302 . 0 0 "[ . 1 . 2]" 1
358 1 28 LYS H 1 28 LYS QB 2.900 . 2.900 2.172 2.110 2.211 . 0 0 "[ . 1 . 2]" 1
359 1 26 ALA MB 1 28 LYS H 4.900 . 4.900 4.517 4.468 4.568 . 0 0 "[ . 1 . 2]" 1
360 1 44 THR H 1 53 THR HB 5.100 . 5.100 3.890 3.605 4.198 . 0 0 "[ . 1 . 2]" 1
361 1 44 THR H 1 45 TYR H 5.200 . 5.200 4.389 4.354 4.426 . 0 0 "[ . 1 . 2]" 1
362 1 44 THR H 1 54 VAL H 5.500 . 5.500 5.214 5.030 5.485 . 0 0 "[ . 1 . 2]" 1
363 1 44 THR H 1 52 PHE QD 5.500 . 5.500 4.190 3.927 4.391 . 0 0 "[ . 1 . 2]" 1
364 1 43 TRP HE3 1 44 THR H 5.500 . 5.500 3.899 3.677 4.068 . 0 0 "[ . 1 . 2]" 1
365 1 43 TRP HA 1 44 THR H 3.000 . 3.000 2.205 2.148 2.266 . 0 0 "[ . 1 . 2]" 1
366 1 44 THR H 1 54 VAL HA 4.200 . 4.200 4.017 3.816 4.225 0.025 9 0 "[ . 1 . 2]" 1
367 1 44 THR H 1 44 THR HB 4.000 . 4.000 3.004 2.942 3.365 . 0 0 "[ . 1 . 2]" 1
368 1 43 TRP QB 1 44 THR H 3.800 . 3.800 2.813 2.728 2.953 . 0 0 "[ . 1 . 2]" 1
369 1 44 THR H 1 53 THR MG 5.500 . 5.500 4.749 4.564 4.961 . 0 0 "[ . 1 . 2]" 1
370 1 16 THR H 1 17 THR H 5.400 . 5.400 4.547 4.480 4.613 . 0 0 "[ . 1 . 2]" 1
371 1 16 THR H 1 30 PHE QE 5.500 . 5.500 5.297 5.056 5.510 0.010 18 0 "[ . 1 . 2]" 1
372 1 15 GLU HA 1 16 THR H 3.100 . 3.100 2.088 2.025 2.140 . 0 0 "[ . 1 . 2]" 1
373 1 6 ILE HA 1 16 THR H 5.000 . 5.000 3.790 3.704 3.910 . 0 0 "[ . 1 . 2]" 1
374 1 15 GLU QG 1 16 THR H 4.700 . 4.700 3.968 3.786 4.108 . 0 0 "[ . 1 . 2]" 1
375 1 15 GLU QB 1 16 THR H 4.100 . 4.100 2.985 2.666 3.224 . 0 0 "[ . 1 . 2]" 1
376 1 4 LYS QG 1 16 THR H 5.200 . 5.200 3.780 3.477 4.068 . 0 0 "[ . 1 . 2]" 1
377 1 16 THR H 1 16 THR MG 4.300 . 4.300 2.803 2.685 2.976 . 0 0 "[ . 1 . 2]" 1
378 1 5 LEU HB3 1 16 THR H 4.000 . 4.000 2.956 2.808 3.084 . 0 0 "[ . 1 . 2]" 1
379 1 5 LEU MD1 1 16 THR H 5.500 . 5.500 3.484 3.198 3.747 . 0 0 "[ . 1 . 2]" 1
380 1 5 LEU MD2 1 16 THR H 5.500 . 5.500 5.307 5.091 5.443 . 0 0 "[ . 1 . 2]" 1
381 1 5 LEU HB2 1 16 THR H 4.500 . 4.500 4.538 4.416 4.589 0.089 14 0 "[ . 1 . 2]" 1
382 1 33 TYR H 1 34 PHE H 3.900 . 3.900 2.553 2.493 2.627 . 0 0 "[ . 1 . 2]" 1
383 1 33 TYR QD 1 34 PHE H 5.200 . 5.200 4.364 4.123 4.571 . 0 0 "[ . 1 . 2]" 1
384 1 34 PHE H 1 43 TRP HH2 5.500 . 5.500 4.447 4.009 4.945 . 0 0 "[ . 1 . 2]" 1
385 1 30 PHE HA 1 34 PHE H 5.500 . 5.500 4.151 3.986 4.309 . 0 0 "[ . 1 . 2]" 1
386 1 31 LYS HA 1 34 PHE H 4.900 . 4.900 3.298 2.898 3.588 . 0 0 "[ . 1 . 2]" 1
387 1 34 PHE H 1 34 PHE HB2 4.200 . 4.200 2.829 2.741 2.961 . 0 0 "[ . 1 . 2]" 1
388 1 34 PHE H 1 34 PHE HB3 4.200 . 4.200 3.909 3.815 3.991 . 0 0 "[ . 1 . 2]" 1
389 1 33 TYR HB2 1 34 PHE H 4.900 . 4.900 2.920 2.548 3.212 . 0 0 "[ . 1 . 2]" 1
390 1 33 TYR HB3 1 34 PHE H 4.900 . 4.900 3.587 3.360 3.856 . 0 0 "[ . 1 . 2]" 1
391 1 33 TYR H 1 33 TYR QD 4.200 . 4.200 2.176 2.015 2.356 . 0 0 "[ . 1 . 2]" 1
392 1 33 TYR H 1 33 TYR QE 5.500 . 5.500 4.496 4.337 4.683 . 0 0 "[ . 1 . 2]" 1
393 1 30 PHE HA 1 33 TYR H 5.400 . 5.400 3.512 3.368 3.641 . 0 0 "[ . 1 . 2]" 1
394 1 30 PHE HB3 1 33 TYR H 5.500 . 5.500 5.423 5.321 5.550 0.050 5 0 "[ . 1 . 2]" 1
395 1 33 TYR H 1 33 TYR HB2 4.000 . 4.000 2.301 2.235 2.373 . 0 0 "[ . 1 . 2]" 1
396 1 33 TYR H 1 33 TYR HB3 4.000 . 4.000 3.554 3.519 3.593 . 0 0 "[ . 1 . 2]" 1
397 1 32 GLN HB2 1 33 TYR H 3.900 . 3.900 3.206 2.731 3.709 . 0 0 "[ . 1 . 2]" 1
398 1 20 ALA H 1 21 VAL H 5.200 . 5.200 4.330 4.267 4.435 . 0 0 "[ . 1 . 2]" 1
399 1 20 ALA HA 1 21 VAL H 3.000 . 3.000 2.318 2.247 2.491 . 0 0 "[ . 1 . 2]" 1
400 1 21 VAL H 1 25 THR HA 5.500 . 5.500 5.741 5.672 5.775 0.275 4 0 "[ . 1 . 2]" 1
401 1 21 VAL H 1 21 VAL HB 3.200 . 3.200 2.749 2.709 2.795 . 0 0 "[ . 1 . 2]" 1
402 1 20 ALA MB 1 21 VAL H 3.200 . 3.200 2.406 2.270 2.514 . 0 0 "[ . 1 . 2]" 1
403 1 20 ALA HA 1 22 ASP H 5.100 . 5.100 4.662 4.438 4.883 . 0 0 "[ . 1 . 2]" 1
404 1 22 ASP H 1 25 THR HB 3.200 . 3.200 2.413 2.303 2.551 . 0 0 "[ . 1 . 2]" 1
405 1 22 ASP H 1 25 THR HA 5.500 . 5.500 5.112 4.994 5.318 . 0 0 "[ . 1 . 2]" 1
406 1 22 ASP H 1 23 ALA HA 5.500 . 5.500 5.251 4.629 5.483 . 0 0 "[ . 1 . 2]" 1
407 1 22 ASP H 1 22 ASP QB 3.900 . 3.900 2.793 2.399 3.158 . 0 0 "[ . 1 . 2]" 1
408 1 21 VAL HB 1 22 ASP H 4.700 . 4.700 4.091 3.890 4.590 . 0 0 "[ . 1 . 2]" 1
409 1 20 ALA MB 1 22 ASP H 3.200 . 3.200 2.992 2.665 3.162 . 0 0 "[ . 1 . 2]" 1
410 1 22 ASP H 1 26 ALA MB 4.700 . 4.700 4.683 4.103 4.790 0.090 3 0 "[ . 1 . 2]" 1
411 1 21 VAL H 1 22 ASP H 3.400 . 3.400 2.894 2.781 2.975 . 0 0 "[ . 1 . 2]" 1
412 1 22 ASP H 1 23 ALA H 5.200 . 5.200 4.276 3.818 4.430 . 0 0 "[ . 1 . 2]" 1
413 1 17 THR H 1 18 THR H 5.400 . 5.400 4.482 4.417 4.531 . 0 0 "[ . 1 . 2]" 1
414 1 5 LEU H 1 18 THR H 5.500 . 5.500 5.343 5.286 5.421 . 0 0 "[ . 1 . 2]" 1
415 1 3 TYR H 1 18 THR H 4.000 . 4.000 3.063 2.974 3.167 . 0 0 "[ . 1 . 2]" 1
416 1 18 THR H 1 30 PHE QE 4.800 . 4.800 3.594 3.397 3.925 . 0 0 "[ . 1 . 2]" 1
417 1 17 THR HA 1 18 THR H 3.200 . 3.200 2.301 2.225 2.367 . 0 0 "[ . 1 . 2]" 1
418 1 4 LYS HA 1 18 THR H 4.500 . 4.500 3.586 3.470 3.628 . 0 0 "[ . 1 . 2]" 1
419 1 3 TYR HA 1 18 THR H 5.500 . 5.500 4.973 4.909 5.044 . 0 0 "[ . 1 . 2]" 1
420 1 17 THR HB 1 18 THR H 4.100 . 4.100 3.811 3.643 3.900 . 0 0 "[ . 1 . 2]" 1
421 1 18 THR H 1 18 THR HB 4.000 . 4.000 3.175 3.124 3.326 . 0 0 "[ . 1 . 2]" 1
422 1 3 TYR HB3 1 18 THR H 5.000 . 5.000 4.916 4.835 5.032 0.032 8 0 "[ . 1 . 2]" 1
423 1 3 TYR HB2 1 18 THR H 4.500 . 4.500 3.890 3.796 4.022 . 0 0 "[ . 1 . 2]" 1
424 1 4 LYS QG 1 18 THR H 5.500 . 5.500 5.169 4.832 5.296 . 0 0 "[ . 1 . 2]" 1
425 1 17 THR MG 1 18 THR H 4.000 . 4.000 2.469 2.405 2.554 . 0 0 "[ . 1 . 2]" 1
426 1 18 THR H 1 18 THR MG 3.700 . 3.700 2.378 2.264 2.545 . 0 0 "[ . 1 . 2]" 1
427 1 5 LEU H 1 17 THR H 5.500 . 5.500 4.835 4.787 4.884 . 0 0 "[ . 1 . 2]" 1
428 1 17 THR H 1 30 PHE QE 5.500 . 5.500 4.001 3.634 4.267 . 0 0 "[ . 1 . 2]" 1
429 1 16 THR HA 1 17 THR H 3.400 . 3.400 2.284 2.243 2.330 . 0 0 "[ . 1 . 2]" 1
430 1 16 THR HB 1 17 THR H 4.000 . 4.000 2.521 2.411 2.644 . 0 0 "[ . 1 . 2]" 1
431 1 4 LYS QG 1 17 THR H 5.500 . 5.500 4.735 4.362 4.928 . 0 0 "[ . 1 . 2]" 1
432 1 17 THR H 1 17 THR MG 4.500 . 4.500 3.988 3.966 4.034 . 0 0 "[ . 1 . 2]" 1
433 1 2 GLN HE22 1 18 THR HA 5.400 . 5.400 4.247 3.819 5.373 . 0 0 "[ . 1 . 2]" 1
434 1 2 GLN HE22 1 19 GLU HA 5.400 . 5.400 4.381 3.893 5.451 0.051 7 0 "[ . 1 . 2]" 1
435 1 2 GLN HA 1 2 GLN HE22 5.300 . 5.300 3.924 3.605 4.973 . 0 0 "[ . 1 . 2]" 1
436 1 2 GLN HE22 1 17 THR HB 5.200 . 5.200 4.839 4.607 5.213 0.013 8 0 "[ . 1 . 2]" 1
437 1 2 GLN HE22 1 17 THR MG 5.300 . 5.300 3.556 3.417 3.969 . 0 0 "[ . 1 . 2]" 1
438 1 37 ASN H 1 37 ASN HD22 5.200 . 5.200 4.165 3.621 4.847 . 0 0 "[ . 1 . 2]" 1
439 1 37 ASN HA 1 37 ASN HD22 5.500 . 5.500 5.053 4.513 5.465 . 0 0 "[ . 1 . 2]" 1
440 1 2 GLN HE21 1 19 GLU HA 5.500 . 5.500 3.182 2.894 3.743 . 0 0 "[ . 1 . 2]" 1
441 1 2 GLN HE21 1 18 THR HA 5.500 . 5.500 3.722 3.528 4.217 . 0 0 "[ . 1 . 2]" 1
442 1 2 GLN HE21 1 17 THR HB 5.200 . 5.200 4.787 4.571 5.195 . 0 0 "[ . 1 . 2]" 1
443 1 2 GLN HE21 1 19 GLU QB 4.100 . 4.100 2.627 2.205 2.834 . 0 0 "[ . 1 . 2]" 1
444 1 2 GLN HE21 1 17 THR MG 4.200 . 4.200 2.945 2.718 3.655 . 0 0 "[ . 1 . 2]" 1
445 1 35 ASN H 1 35 ASN HD21 5.200 . 5.200 3.872 2.283 4.770 . 0 0 "[ . 1 . 2]" 1
446 1 37 ASN H 1 37 ASN HD21 5.200 . 5.200 3.940 3.240 4.479 . 0 0 "[ . 1 . 2]" 1
447 1 35 ASN H 1 35 ASN HD22 5.200 . 5.200 4.526 3.077 5.500 0.300 12 0 "[ . 1 . 2]" 1
448 1 8 ASN H 1 8 ASN HD21 4.700 . 4.700 2.731 2.518 3.271 . 0 0 "[ . 1 . 2]" 1
449 1 8 ASN HD21 1 54 VAL H 5.500 . 5.500 3.094 2.864 3.579 . 0 0 "[ . 1 . 2]" 1
450 1 8 ASN HD21 1 55 THR H 5.500 . 5.500 4.470 4.414 4.599 . 0 0 "[ . 1 . 2]" 1
451 1 8 ASN HD21 1 55 THR HA 4.200 . 4.200 3.100 2.936 3.198 . 0 0 "[ . 1 . 2]" 1
452 1 8 ASN HB3 1 8 ASN HD21 3.500 . 3.500 3.454 3.322 3.484 . 0 0 "[ . 1 . 2]" 1
453 1 8 ASN HD21 1 55 THR MG 4.100 . 4.100 3.867 3.493 3.986 . 0 0 "[ . 1 . 2]" 1
454 1 8 ASN HD21 1 53 THR MG 3.400 . 3.400 2.688 2.508 2.908 . 0 0 "[ . 1 . 2]" 1
455 1 6 ILE MG 1 8 ASN HD21 4.000 . 4.000 3.464 3.348 3.648 . 0 0 "[ . 1 . 2]" 1
456 1 8 ASN H 1 8 ASN HD22 5.000 . 5.000 4.092 3.959 4.334 . 0 0 "[ . 1 . 2]" 1
457 1 8 ASN HD22 1 53 THR HB 5.500 . 5.500 4.977 4.809 5.134 . 0 0 "[ . 1 . 2]" 1
458 1 6 ILE HB 1 8 ASN HD22 5.400 . 5.400 3.637 3.396 3.933 . 0 0 "[ . 1 . 2]" 1
459 1 8 ASN HD22 1 53 THR MG 3.400 . 3.400 2.086 1.968 2.179 . 0 0 "[ . 1 . 2]" 1
460 1 6 ILE MG 1 8 ASN HD22 3.700 . 3.700 2.467 2.311 2.643 . 0 0 "[ . 1 . 2]" 1
461 1 7 LEU HA 1 8 ASN HD22 5.500 . 5.500 4.669 4.429 4.955 . 0 0 "[ . 1 . 2]" 1
462 1 8 ASN HD22 1 55 THR HB 5.500 . 5.500 5.587 5.571 5.601 0.101 4 0 "[ . 1 . 2]" 1
463 1 51 THR H 1 52 PHE H 5.200 . 5.200 4.438 4.394 4.507 . 0 0 "[ . 1 . 2]" 1
464 1 4 LYS H 1 51 THR H 5.500 . 5.500 4.856 4.745 4.926 . 0 0 "[ . 1 . 2]" 1
465 1 46 ASP H 1 51 THR H 3.700 . 3.700 3.349 3.173 3.474 . 0 0 "[ . 1 . 2]" 1
466 1 49 THR H 1 51 THR H 4.300 . 4.300 3.693 3.501 3.990 . 0 0 "[ . 1 . 2]" 1
467 1 50 LYS HA 1 51 THR H 3.400 . 3.400 2.603 2.459 2.789 . 0 0 "[ . 1 . 2]" 1
468 1 51 THR H 1 51 THR HB 3.400 . 3.400 2.846 2.743 2.917 . 0 0 "[ . 1 . 2]" 1
469 1 46 ASP HB2 1 51 THR H 4.600 . 4.600 3.919 3.538 4.623 0.023 19 0 "[ . 1 . 2]" 1
470 1 46 ASP HB3 1 51 THR H 4.600 . 4.600 4.096 2.881 4.615 0.015 14 0 "[ . 1 . 2]" 1
471 1 50 LYS HD2 1 51 THR H 5.500 . 5.500 5.325 4.765 5.537 0.037 1 0 "[ . 1 . 2]" 1
472 1 50 LYS HD3 1 51 THR H 5.500 . 5.500 4.710 4.452 5.715 0.215 4 0 "[ . 1 . 2]" 1
473 1 51 THR H 1 51 THR MG 4.700 . 4.700 4.013 3.975 4.047 . 0 0 "[ . 1 . 2]" 1
474 1 10 LYS H 1 11 THR H 3.600 . 3.600 2.421 1.893 2.691 . 0 0 "[ . 1 . 2]" 1
475 1 11 THR H 1 12 LEU HA 5.500 . 5.500 5.024 4.585 5.229 . 0 0 "[ . 1 . 2]" 1
476 1 11 THR H 1 11 THR HB 3.600 . 3.600 3.122 2.434 3.639 0.039 4 0 "[ . 1 . 2]" 1
477 1 10 LYS QB 1 11 THR H 3.600 . 3.600 2.840 2.456 3.638 0.038 15 0 "[ . 1 . 2]" 1
478 1 10 LYS QD 1 11 THR H 5.500 . 5.500 5.034 4.589 5.514 0.014 17 0 "[ . 1 . 2]" 1
479 1 10 LYS QG 1 11 THR H 4.900 . 4.900 4.082 2.538 4.418 . 0 0 "[ . 1 . 2]" 1
480 1 11 THR H 1 11 THR MG 4.500 . 4.500 3.197 2.457 3.949 . 0 0 "[ . 1 . 2]" 1
481 1 8 ASN HD21 1 9 GLY H 5.500 . 5.500 5.616 5.574 5.644 0.144 11 0 "[ . 1 . 2]" 1
482 1 8 ASN H 1 9 GLY H 5.100 . 5.100 4.221 4.008 4.407 . 0 0 "[ . 1 . 2]" 1
483 1 8 ASN HA 1 9 GLY H 3.300 . 3.300 2.121 2.059 2.179 . 0 0 "[ . 1 . 2]" 1
484 1 9 GLY H 1 13 LYS HA 4.000 . 4.000 3.509 3.042 3.928 . 0 0 "[ . 1 . 2]" 1
485 1 9 GLY H 1 55 THR HA 5.500 . 5.500 5.157 4.844 5.387 . 0 0 "[ . 1 . 2]" 1
486 1 8 ASN HB2 1 9 GLY H 4.900 . 4.900 4.049 3.757 4.314 . 0 0 "[ . 1 . 2]" 1
487 1 9 GLY H 1 13 LYS QE 5.500 . 5.500 3.398 2.635 4.768 . 0 0 "[ . 1 . 2]" 1
488 1 8 ASN HB3 1 9 GLY H 5.400 . 5.400 3.331 2.943 3.767 . 0 0 "[ . 1 . 2]" 1
489 1 9 GLY H 1 13 LYS HB3 5.000 . 5.000 4.315 4.020 4.593 . 0 0 "[ . 1 . 2]" 1
490 1 9 GLY H 1 13 LYS QD 4.700 . 4.700 3.730 2.570 4.273 . 0 0 "[ . 1 . 2]" 1
491 1 9 GLY H 1 13 LYS QG 4.100 . 4.100 2.017 1.834 2.192 . 0 0 "[ . 1 . 2]" 1
492 1 7 LEU HG 1 9 GLY H 5.200 . 5.200 4.404 3.994 5.182 . 0 0 "[ . 1 . 2]" 1
493 1 7 LEU MD2 1 9 GLY H 5.500 . 5.500 5.314 2.824 5.573 0.073 14 0 "[ . 1 . 2]" 1
494 1 7 LEU MD1 1 9 GLY H 5.500 . 5.500 4.938 4.629 5.540 0.040 3 0 "[ . 1 . 2]" 1
495 1 41 GLY H 1 43 TRP HE1 5.500 . 5.500 4.212 3.587 4.816 . 0 0 "[ . 1 . 2]" 1
496 1 40 ASP H 1 41 GLY H 4.600 . 4.600 3.133 2.942 3.470 . 0 0 "[ . 1 . 2]" 1
497 1 39 VAL H 1 41 GLY H 5.500 . 5.500 5.130 4.738 5.520 0.020 19 0 "[ . 1 . 2]" 1
498 1 41 GLY H 1 43 TRP HD1 5.500 . 5.500 5.070 4.545 5.509 0.009 20 0 "[ . 1 . 2]" 1
499 1 41 GLY H 1 54 VAL MG2 5.500 . 5.500 5.247 4.692 5.521 0.021 14 0 "[ . 1 . 2]" 1
500 1 40 ASP HB3 1 41 GLY H 5.500 . 5.500 4.373 4.312 4.648 . 0 0 "[ . 1 . 2]" 1
501 1 41 GLY H 1 56 GLU QG 5.500 . 5.500 4.266 3.232 5.022 . 0 0 "[ . 1 . 2]" 1
502 1 39 VAL HB 1 41 GLY H 5.500 . 5.500 4.300 2.950 5.360 . 0 0 "[ . 1 . 2]" 1
503 1 41 GLY H 1 54 VAL MG1 5.500 . 5.500 3.147 2.502 3.792 . 0 0 "[ . 1 . 2]" 1
504 1 38 GLY H 1 40 ASP H 5.300 . 5.300 3.944 3.436 4.572 . 0 0 "[ . 1 . 2]" 1
505 1 36 ASP HA 1 38 GLY H 5.500 . 5.500 3.812 3.278 4.674 . 0 0 "[ . 1 . 2]" 1
506 1 36 ASP QB 1 38 GLY H 4.900 . 4.900 4.940 3.131 5.121 0.221 5 0 "[ . 1 . 2]" 1
507 1 38 GLY H 1 39 VAL HB 5.500 . 5.500 4.682 4.076 5.624 0.124 6 0 "[ . 1 . 2]" 1
508 1 9 GLY H 1 14 GLY H 5.500 . 5.500 5.299 4.921 5.563 0.063 4 0 "[ . 1 . 2]" 1
509 1 8 ASN HA 1 14 GLY H 4.900 . 4.900 4.169 4.049 4.294 . 0 0 "[ . 1 . 2]" 1
510 1 13 LYS HA 1 14 GLY H 3.300 . 3.300 2.400 2.283 2.455 . 0 0 "[ . 1 . 2]" 1
511 1 13 LYS HB3 1 14 GLY H 3.400 . 3.400 2.767 2.620 3.135 . 0 0 "[ . 1 . 2]" 1
512 1 13 LYS HB2 1 14 GLY H 4.400 . 4.400 3.909 3.779 4.176 . 0 0 "[ . 1 . 2]" 1
513 1 13 LYS QG 1 14 GLY H 5.100 . 5.100 4.034 3.804 4.220 . 0 0 "[ . 1 . 2]" 1
514 1 7 LEU HB3 1 14 GLY H 3.900 . 3.900 2.488 2.371 2.671 . 0 0 "[ . 1 . 2]" 1
515 1 48 ALA H 1 49 THR H 3.200 . 3.200 2.817 1.726 3.007 0.074 19 0 "[ . 1 . 2]" 1
516 1 49 THR H 1 50 LYS H 3.000 . 3.000 2.207 1.998 2.342 . 0 0 "[ . 1 . 2]" 1
517 1 49 THR H 1 51 THR HB 5.500 . 5.500 4.970 4.850 5.047 . 0 0 "[ . 1 . 2]" 1
518 1 46 ASP HB2 1 49 THR H 4.900 . 4.900 4.259 3.722 5.017 0.117 4 0 "[ . 1 . 2]" 1
519 1 46 ASP HB3 1 49 THR H 4.900 . 4.900 3.469 3.051 3.818 . 0 0 "[ . 1 . 2]" 1
520 1 48 ALA MB 1 49 THR H 3.200 . 3.200 2.881 2.698 3.023 . 0 0 "[ . 1 . 2]" 1
521 1 49 THR H 1 49 THR MG 3.300 . 3.300 2.510 2.308 2.762 . 0 0 "[ . 1 . 2]" 1
522 1 45 TYR QE 1 46 ASP H 5.500 . 5.500 4.181 4.050 4.294 . 0 0 "[ . 1 . 2]" 1
523 1 45 TYR QE 1 47 ASP H 5.200 . 5.200 3.828 3.679 4.009 . 0 0 "[ . 1 . 2]" 1
524 1 45 TYR QE 1 50 LYS H 5.400 . 5.400 4.568 4.221 4.830 . 0 0 "[ . 1 . 2]" 1
525 1 45 TYR QE 1 51 THR H 4.800 . 4.800 3.183 3.047 3.382 . 0 0 "[ . 1 . 2]" 1
526 1 2 GLN HG2 1 17 THR HB 5.100 . 5.100 5.148 5.087 5.170 0.070 20 0 "[ . 1 . 2]" 1
527 1 44 THR HB 1 45 TYR H 3.800 . 3.800 3.813 3.704 3.913 0.113 9 0 "[ . 1 . 2]" 1
528 1 44 THR HB 1 53 THR HB 5.200 . 5.200 2.302 2.112 4.417 . 0 0 "[ . 1 . 2]" 1
529 1 18 THR HB 1 30 PHE QE 5.100 . 5.100 3.031 2.805 3.359 . 0 0 "[ . 1 . 2]" 1
530 1 55 THR HB 1 56 GLU H 5.100 . 5.100 4.155 3.934 4.463 . 0 0 "[ . 1 . 2]" 1
531 1 6 ILE HB 1 53 THR HB 5.500 . 5.500 4.481 4.233 4.632 . 0 0 "[ . 1 . 2]" 1
532 1 44 THR MG 1 53 THR HB 5.000 . 5.000 3.514 1.972 3.802 . 0 0 "[ . 1 . 2]" 1
533 1 53 THR HB 1 54 VAL H 5.100 . 5.100 3.957 3.811 4.321 . 0 0 "[ . 1 . 2]" 1
534 1 49 THR HB 1 50 LYS H 5.500 . 5.500 4.538 4.322 4.665 . 0 0 "[ . 1 . 2]" 1
535 1 25 THR HB 1 26 ALA MB 5.400 . 5.400 4.103 3.936 4.273 . 0 0 "[ . 1 . 2]" 1
536 1 25 THR HA 1 28 LYS QE 5.500 . 5.500 4.028 2.063 5.471 . 0 0 "[ . 1 . 2]" 1
537 1 25 THR HA 1 28 LYS QB 4.000 . 4.000 2.375 2.251 2.466 . 0 0 "[ . 1 . 2]" 1
538 1 25 THR HA 1 28 LYS H 4.800 . 4.800 3.165 3.002 3.281 . 0 0 "[ . 1 . 2]" 1
539 1 25 THR HA 1 26 ALA MB 5.500 . 5.500 5.084 5.060 5.103 . 0 0 "[ . 1 . 2]" 1
540 1 29 VAL HA 1 32 GLN HA 5.500 . 5.500 5.412 5.254 5.540 0.040 11 0 "[ . 1 . 2]" 1
541 1 29 VAL HA 1 32 GLN HB3 4.000 . 4.000 3.740 3.060 4.060 0.060 20 0 "[ . 1 . 2]" 1
542 1 29 VAL HA 1 29 VAL MG1 3.700 . 3.700 2.496 2.445 2.515 . 0 0 "[ . 1 . 2]" 1
543 1 21 VAL HA 1 22 ASP HA 5.400 . 5.400 4.659 4.642 4.681 . 0 0 "[ . 1 . 2]" 1
544 1 20 ALA MB 1 21 VAL HA 5.200 . 5.200 4.336 4.291 4.390 . 0 0 "[ . 1 . 2]" 1
545 1 11 THR HA 1 11 THR MG 3.700 . 3.700 2.369 2.296 2.464 . 0 0 "[ . 1 . 2]" 1
546 1 51 THR HA 1 52 PHE H 3.500 . 3.500 2.138 2.088 2.202 . 0 0 "[ . 1 . 2]" 1
547 1 51 THR HA 1 52 PHE QD 5.200 . 5.200 3.473 3.296 3.676 . 0 0 "[ . 1 . 2]" 1
548 1 4 LYS QB 1 51 THR HA 4.200 . 4.200 2.690 2.455 2.872 . 0 0 "[ . 1 . 2]" 1
549 1 4 LYS QG 1 51 THR HA 5.500 . 5.500 4.348 4.092 4.662 . 0 0 "[ . 1 . 2]" 1
550 1 6 ILE H 1 53 THR HA 4.300 . 4.300 2.553 2.397 2.763 . 0 0 "[ . 1 . 2]" 1
551 1 6 ILE HB 1 53 THR HA 4.100 . 4.100 2.381 2.272 2.515 . 0 0 "[ . 1 . 2]" 1
552 1 6 ILE MD 1 53 THR HA 5.300 . 5.300 3.930 3.829 4.055 . 0 0 "[ . 1 . 2]" 1
553 1 6 ILE HA 1 6 ILE HG12 4.100 . 4.100 2.593 2.541 2.624 . 0 0 "[ . 1 . 2]" 1
554 1 17 THR HA 1 30 PHE QE 5.200 . 5.200 3.272 3.143 3.592 . 0 0 "[ . 1 . 2]" 1
555 1 4 LYS HA 1 17 THR HA 3.900 . 3.900 2.202 2.161 2.272 . 0 0 "[ . 1 . 2]" 1
556 1 4 LYS QB 1 17 THR HA 5.500 . 5.500 3.836 3.736 3.943 . 0 0 "[ . 1 . 2]" 1
557 1 4 LYS QG 1 17 THR HA 5.500 . 5.500 3.339 2.957 3.549 . 0 0 "[ . 1 . 2]" 1
558 1 17 THR HA 1 18 THR MG 5.300 . 5.300 3.863 3.760 3.961 . 0 0 "[ . 1 . 2]" 1
559 1 6 ILE HA 1 15 GLU QG 5.500 . 5.500 2.584 2.307 2.795 . 0 0 "[ . 1 . 2]" 1
560 1 6 ILE HA 1 6 ILE MD 4.200 . 4.200 3.901 3.875 3.917 . 0 0 "[ . 1 . 2]" 1
561 1 27 GLU HA 1 30 PHE QD 4.700 . 4.700 2.583 2.433 3.000 . 0 0 "[ . 1 . 2]" 1
562 1 27 GLU HA 1 30 PHE HB2 5.500 . 5.500 2.653 2.383 2.820 . 0 0 "[ . 1 . 2]" 1
563 1 26 ALA MB 1 27 GLU HA 5.500 . 5.500 4.052 4.003 4.128 . 0 0 "[ . 1 . 2]" 1
564 1 53 THR HA 1 54 VAL HA 5.200 . 5.200 4.491 4.439 4.519 . 0 0 "[ . 1 . 2]" 1
565 1 54 VAL HA 1 55 THR HB 5.300 . 5.300 4.490 4.353 4.583 . 0 0 "[ . 1 . 2]" 1
566 1 31 LYS HA 1 43 TRP HZ2 5.300 . 5.300 2.879 2.545 3.120 . 0 0 "[ . 1 . 2]" 1
567 1 31 LYS HA 1 43 TRP HH2 5.400 . 5.400 2.830 2.599 3.156 . 0 0 "[ . 1 . 2]" 1
568 1 28 LYS HA 1 32 GLN HB2 5.200 . 5.200 5.256 4.919 5.364 0.164 18 0 "[ . 1 . 2]" 1
569 1 28 LYS HA 1 31 LYS QB 3.900 . 3.900 2.575 2.368 2.838 . 0 0 "[ . 1 . 2]" 1
570 1 9 GLY HA2 1 10 LYS HA 5.000 . 5.000 4.358 4.283 4.566 . 0 0 "[ . 1 . 2]" 1
571 1 10 LYS HA 1 10 LYS QG 3.900 . 3.900 2.671 2.349 3.336 . 0 0 "[ . 1 . 2]" 1
572 1 32 GLN HA 1 35 ASN QB 5.500 . 5.500 4.094 3.041 4.733 . 0 0 "[ . 1 . 2]" 1
573 1 3 TYR HA 1 3 TYR QD 4.400 . 4.400 2.950 2.813 3.056 . 0 0 "[ . 1 . 2]" 1
574 1 3 TYR HA 1 4 LYS QB 4.700 . 4.700 3.794 3.697 3.876 . 0 0 "[ . 1 . 2]" 1
575 1 51 THR MG 1 52 PHE HA 5.500 . 5.500 3.890 3.862 3.921 . 0 0 "[ . 1 . 2]" 1
576 1 43 TRP HA 1 54 VAL HA 4.100 . 4.100 2.811 2.654 3.122 . 0 0 "[ . 1 . 2]" 1
577 1 45 TYR HA 1 52 PHE HA 3.900 . 3.900 2.282 2.238 2.325 . 0 0 "[ . 1 . 2]" 1
578 1 3 TYR QD 1 50 LYS HA 5.200 . 5.200 3.326 2.901 3.576 . 0 0 "[ . 1 . 2]" 1
579 1 47 ASP HA 1 49 THR H 5.500 . 5.500 3.754 3.641 3.957 . 0 0 "[ . 1 . 2]" 1
580 1 50 LYS HA 1 50 LYS HD3 4.200 . 4.200 2.504 2.167 4.094 . 0 0 "[ . 1 . 2]" 1
581 1 2 GLN HA 1 20 ALA H 4.600 . 4.600 3.857 3.509 4.037 . 0 0 "[ . 1 . 2]" 1
582 1 2 GLN HA 1 19 GLU H 5.500 . 5.500 4.711 4.562 4.845 . 0 0 "[ . 1 . 2]" 1
583 1 2 GLN HA 1 3 TYR QD 5.300 . 5.300 3.736 3.453 3.992 . 0 0 "[ . 1 . 2]" 1
584 1 2 GLN HA 1 18 THR H 5.500 . 5.500 4.625 4.559 4.699 . 0 0 "[ . 1 . 2]" 1
585 1 6 ILE HA 1 15 GLU HA 4.100 . 4.100 2.637 2.545 2.716 . 0 0 "[ . 1 . 2]" 1
586 1 15 GLU HA 1 16 THR MG 5.200 . 5.200 3.593 3.523 3.652 . 0 0 "[ . 1 . 2]" 1
587 1 6 ILE MG 1 15 GLU HA 5.400 . 5.400 4.131 4.007 4.267 . 0 0 "[ . 1 . 2]" 1
588 1 48 ALA HA 1 50 LYS H 5.300 . 5.300 4.384 4.186 4.712 . 0 0 "[ . 1 . 2]" 1
589 1 25 THR HA 1 26 ALA HA 5.500 . 5.500 4.835 4.818 4.870 . 0 0 "[ . 1 . 2]" 1
590 1 26 ALA HA 1 29 VAL HB 4.100 . 4.100 2.751 2.600 2.909 . 0 0 "[ . 1 . 2]" 1
591 1 18 THR MG 1 26 ALA HA 4.000 . 4.000 2.614 2.507 2.774 . 0 0 "[ . 1 . 2]" 1
592 1 4 LYS HA 1 16 THR H 5.500 . 5.500 5.061 4.922 5.235 . 0 0 "[ . 1 . 2]" 1
593 1 4 LYS HA 1 17 THR HB 5.500 . 5.500 4.887 4.821 4.941 . 0 0 "[ . 1 . 2]" 1
594 1 48 ALA HA 1 49 THR HA 5.500 . 5.500 4.645 4.585 4.717 . 0 0 "[ . 1 . 2]" 1
595 1 48 ALA HA 1 49 THR MG 5.500 . 5.500 4.726 4.181 5.361 . 0 0 "[ . 1 . 2]" 1
596 1 24 ALA HA 1 28 LYS H 5.100 . 5.100 4.200 4.067 4.409 . 0 0 "[ . 1 . 2]" 1
597 1 24 ALA HA 1 28 LYS QB 4.800 . 4.800 4.710 4.656 4.806 0.006 12 0 "[ . 1 . 2]" 1
598 1 3 TYR QD 1 26 ALA HA 4.900 . 4.900 4.665 4.587 4.763 . 0 0 "[ . 1 . 2]" 1
599 1 3 TYR QE 1 23 ALA HA 4.400 . 4.400 3.116 2.862 3.315 . 0 0 "[ . 1 . 2]" 1
600 1 22 ASP HA 1 23 ALA HA 5.500 . 5.500 4.332 4.293 4.378 . 0 0 "[ . 1 . 2]" 1
601 1 26 ALA HA 1 29 VAL HA 5.500 . 5.500 5.463 5.346 5.534 0.034 3 0 "[ . 1 . 2]" 1
602 1 22 ASP QB 1 23 ALA HA 5.200 . 5.200 4.716 4.593 4.925 . 0 0 "[ . 1 . 2]" 1
603 1 3 TYR QD 1 19 GLU HA 5.200 . 5.200 3.396 3.136 3.754 . 0 0 "[ . 1 . 2]" 1
604 1 2 GLN HA 1 19 GLU HA 3.600 . 3.600 2.372 2.082 2.528 . 0 0 "[ . 1 . 2]" 1
605 1 19 GLU HA 1 20 ALA MB 5.000 . 5.000 3.806 3.718 3.853 . 0 0 "[ . 1 . 2]" 1
606 1 18 THR MG 1 19 GLU HA 5.300 . 5.300 3.630 3.423 3.849 . 0 0 "[ . 1 . 2]" 1
607 1 11 THR HB 1 12 LEU HA 5.500 . 5.500 4.827 4.680 5.021 . 0 0 "[ . 1 . 2]" 1
608 1 5 LEU HA 1 6 ILE HA 5.200 . 5.200 4.538 4.527 4.552 . 0 0 "[ . 1 . 2]" 1
609 1 7 LEU H 1 13 LYS HA 5.500 . 5.500 5.043 4.893 5.260 . 0 0 "[ . 1 . 2]" 1
610 1 7 LEU HA 1 54 VAL HB 4.600 . 4.600 2.688 2.514 2.925 . 0 0 "[ . 1 . 2]" 1
611 1 7 LEU HA 1 7 LEU MD1 4.700 . 4.700 2.239 2.111 3.610 . 0 0 "[ . 1 . 2]" 1
612 1 5 LEU HA 1 52 PHE QD 5.300 . 5.300 4.135 3.972 4.252 . 0 0 "[ . 1 . 2]" 1
613 1 4 LYS HA 1 5 LEU HA 5.500 . 5.500 4.553 4.528 4.572 . 0 0 "[ . 1 . 2]" 1
614 1 22 ASP HA 1 25 THR H 5.500 . 5.500 4.874 4.750 4.996 . 0 0 "[ . 1 . 2]" 1
615 1 8 ASN HA 1 9 GLY HA2 5.300 . 5.300 4.480 4.419 4.553 . 0 0 "[ . 1 . 2]" 1
616 1 8 ASN HA 1 13 LYS QD 4.700 . 4.700 3.885 3.068 4.386 . 0 0 "[ . 1 . 2]" 1
617 1 20 ALA HA 1 21 VAL HA 5.100 . 5.100 4.368 4.303 4.427 . 0 0 "[ . 1 . 2]" 1
618 1 14 GLY HA3 2 16 THR MG 4.900 . 4.900 2.373 2.183 2.649 . 0 0 "[ . 1 . 2]" 1
619 1 12 LEU QB 1 13 LYS H 4.900 . 4.900 3.600 3.515 3.712 . 0 0 "[ . 1 . 2]" 1
620 1 11 THR HB 1 12 LEU QB 5.500 . 5.500 3.474 3.221 3.721 . 0 0 "[ . 1 . 2]" 1
621 1 41 GLY HA2 1 56 GLU QG 5.100 . 5.100 3.639 2.256 5.090 . 0 0 "[ . 1 . 2]" 1
622 1 41 GLY HA3 1 56 GLU QG 5.200 . 5.200 3.664 2.158 4.460 . 0 0 "[ . 1 . 2]" 1
623 1 9 GLY HA2 1 56 GLU H 4.900 . 4.900 3.332 2.754 3.648 . 0 0 "[ . 1 . 2]" 1
624 1 9 GLY HA2 1 56 GLU QG 4.800 . 4.800 3.007 2.406 4.035 . 0 0 "[ . 1 . 2]" 1
625 1 9 GLY HA2 1 56 GLU QB 4.500 . 4.500 2.389 1.981 3.049 . 0 0 "[ . 1 . 2]" 1
626 1 9 GLY HA3 1 11 THR H 5.500 . 5.500 3.690 3.290 3.945 . 0 0 "[ . 1 . 2]" 1
627 1 9 GLY HA3 1 56 GLU H 5.000 . 5.000 4.497 3.826 4.951 . 0 0 "[ . 1 . 2]" 1
628 1 9 GLY HA3 1 56 GLU QG 5.200 . 5.200 3.434 2.456 4.583 . 0 0 "[ . 1 . 2]" 1
629 1 9 GLY HA3 1 56 GLU QB 4.800 . 4.800 3.640 2.690 4.436 . 0 0 "[ . 1 . 2]" 1
630 1 3 TYR HB3 1 52 PHE QD 4.900 . 4.900 3.151 2.987 3.287 . 0 0 "[ . 1 . 2]" 1
631 1 3 TYR HB3 1 4 LYS QB 5.500 . 5.500 4.750 4.701 4.830 . 0 0 "[ . 1 . 2]" 1
632 1 3 TYR HB3 1 26 ALA MB 3.900 . 3.900 2.642 2.531 2.763 . 0 0 "[ . 1 . 2]" 1
633 1 3 TYR HB3 1 18 THR MG 4.100 . 4.100 3.676 3.421 4.170 0.070 13 0 "[ . 1 . 2]" 1
634 1 2 GLN HA 1 3 TYR HB2 5.000 . 5.000 4.551 4.375 4.647 . 0 0 "[ . 1 . 2]" 1
635 1 46 ASP HB2 1 51 THR HB 5.100 . 5.100 3.570 3.199 4.404 . 0 0 "[ . 1 . 2]" 1
636 1 46 ASP H 1 46 ASP HB3 4.100 . 4.100 3.372 2.485 3.751 . 0 0 "[ . 1 . 2]" 1
637 1 46 ASP HB3 1 51 THR HB 5.100 . 5.100 4.185 2.525 4.905 . 0 0 "[ . 1 . 2]" 1
638 1 7 LEU HB2 1 14 GLY H 4.800 . 4.800 4.194 4.093 4.281 . 0 0 "[ . 1 . 2]" 1
639 1 7 LEU HB2 1 13 LYS HA 5.500 . 5.500 4.990 4.732 5.279 . 0 0 "[ . 1 . 2]" 1
640 1 21 VAL MG1 1 22 ASP QB 4.700 . 4.700 3.063 2.720 3.452 . 0 0 "[ . 1 . 2]" 1
641 1 21 VAL HA 1 22 ASP QB 5.200 . 5.200 4.715 4.600 4.850 . 0 0 "[ . 1 . 2]" 1
642 1 10 LYS HA 1 10 LYS QE 5.200 . 5.200 4.213 2.018 5.388 0.188 15 0 "[ . 1 . 2]" 1
643 1 4 LYS QB 1 4 LYS HE2 4.800 . 4.800 3.901 2.234 4.284 . 0 0 "[ . 1 . 2]" 1
644 1 46 ASP HA 1 47 ASP HB2 5.500 . 5.500 4.650 4.371 5.603 0.103 1 0 "[ . 1 . 2]" 1
645 1 4 LYS QB 1 4 LYS HE3 4.800 . 4.800 3.921 2.651 4.011 . 0 0 "[ . 1 . 2]" 1
646 1 46 ASP HA 1 47 ASP HB3 5.500 . 5.500 4.628 4.355 4.839 . 0 0 "[ . 1 . 2]" 1
647 1 40 ASP HB2 1 41 GLY H 5.500 . 5.500 4.618 4.468 4.648 . 0 0 "[ . 1 . 2]" 1
648 1 36 ASP QB 1 40 ASP HA 5.100 . 5.100 4.590 3.225 5.114 0.014 1 0 "[ . 1 . 2]" 1
649 1 30 PHE HB2 1 43 TRP HZ3 5.100 . 5.100 2.776 2.574 2.989 . 0 0 "[ . 1 . 2]" 1
650 1 30 PHE HB3 1 43 TRP HZ3 5.400 . 5.400 3.005 2.594 3.564 . 0 0 "[ . 1 . 2]" 1
651 1 30 PHE HB3 1 43 TRP HH2 4.100 . 4.100 2.440 2.238 2.751 . 0 0 "[ . 1 . 2]" 1
652 1 8 ASN HB2 1 55 THR HA 3.600 . 3.600 2.154 2.050 2.281 . 0 0 "[ . 1 . 2]" 1
653 1 8 ASN HB2 1 53 THR MG 5.300 . 5.300 4.336 4.210 4.544 . 0 0 "[ . 1 . 2]" 1
654 1 8 ASN HB3 1 55 THR HA 4.400 . 4.400 3.782 3.679 3.926 . 0 0 "[ . 1 . 2]" 1
655 1 8 ASN HB3 1 55 THR MG 4.200 . 4.200 3.268 3.089 3.473 . 0 0 "[ . 1 . 2]" 1
656 1 8 ASN HB3 1 53 THR MG 5.500 . 5.500 5.232 5.137 5.342 . 0 0 "[ . 1 . 2]" 1
657 1 6 ILE MG 1 8 ASN HB3 5.000 . 5.000 5.044 5.021 5.070 0.070 9 0 "[ . 1 . 2]" 1
658 1 6 ILE HB 1 15 GLU QG 5.500 . 5.500 4.715 4.484 4.838 . 0 0 "[ . 1 . 2]" 1
659 1 6 ILE HB 1 53 THR MG 4.000 . 4.000 2.369 2.259 2.455 . 0 0 "[ . 1 . 2]" 1
660 1 8 ASN HA 1 13 LYS HB3 4.600 . 4.600 3.774 3.517 4.125 . 0 0 "[ . 1 . 2]" 1
661 1 42 GLU H 1 42 GLU HG2 5.500 . 5.500 4.562 4.447 4.676 . 0 0 "[ . 1 . 2]" 1
662 1 42 GLU HA 1 42 GLU HG2 4.100 . 4.100 3.452 3.146 3.815 . 0 0 "[ . 1 . 2]" 1
663 1 42 GLU HA 1 42 GLU HG3 4.100 . 4.100 2.770 2.433 3.165 . 0 0 "[ . 1 . 2]" 1
664 1 6 ILE HG12 1 15 GLU QG 5.000 . 5.000 2.604 2.428 2.850 . 0 0 "[ . 1 . 2]" 1
665 1 6 ILE MD 1 15 GLU QG 4.600 . 4.600 3.897 3.765 4.089 . 0 0 "[ . 1 . 2]" 1
666 1 19 GLU H 1 19 GLU HG3 5.500 . 5.500 4.687 4.602 4.885 . 0 0 "[ . 1 . 2]" 1
667 1 27 GLU QG 1 28 LYS H 4.800 . 4.800 3.833 2.819 4.497 . 0 0 "[ . 1 . 2]" 1
668 1 2 GLN HA 1 2 GLN HG2 4.000 . 4.000 3.660 3.407 3.730 . 0 0 "[ . 1 . 2]" 1
669 1 2 GLN HA 1 2 GLN HG3 4.000 . 4.000 2.550 2.338 2.633 . 0 0 "[ . 1 . 2]" 1
670 1 2 GLN HG3 1 17 THR HB 5.100 . 5.100 4.735 4.669 4.822 . 0 0 "[ . 1 . 2]" 1
671 1 4 LYS QD 1 15 GLU QB 5.500 . 5.500 4.511 2.869 4.904 . 0 0 "[ . 1 . 2]" 1
672 1 4 LYS QG 1 15 GLU QB 4.500 . 4.500 3.657 3.219 3.827 . 0 0 "[ . 1 . 2]" 1
673 1 15 GLU QB 1 16 THR MG 5.400 . 5.400 4.347 4.315 4.379 . 0 0 "[ . 1 . 2]" 1
674 1 6 ILE MD 1 15 GLU QB 5.200 . 5.200 5.155 4.996 5.227 0.027 13 0 "[ . 1 . 2]" 1
675 1 1 MET HB3 1 3 TYR QE 5.500 . 5.500 2.799 2.344 4.821 . 0 0 "[ . 1 . 2]" 1
676 1 6 ILE HA 1 15 GLU QB 4.900 . 4.900 3.959 3.767 4.189 . 0 0 "[ . 1 . 2]" 1
677 1 10 LYS QB 1 11 THR HA 4.800 . 4.800 4.205 4.044 4.585 . 0 0 "[ . 1 . 2]" 1
678 1 20 ALA HA 1 21 VAL HB 5.500 . 5.500 4.681 4.497 4.784 . 0 0 "[ . 1 . 2]" 1
679 1 21 VAL HB 1 25 THR MG 5.300 . 5.300 4.265 4.141 4.434 . 0 0 "[ . 1 . 2]" 1
680 1 10 LYS H 1 56 GLU QB 4.500 . 4.500 3.410 2.930 3.970 . 0 0 "[ . 1 . 2]" 1
681 1 10 LYS QG 1 56 GLU QB 4.900 . 4.900 2.984 2.414 3.475 . 0 0 "[ . 1 . 2]" 1
682 1 1 MET HG2 1 2 GLN H 5.200 . 5.200 4.140 2.528 4.735 . 0 0 "[ . 1 . 2]" 1
683 1 1 MET HG2 1 3 TYR QE 5.500 . 5.500 3.885 2.464 4.622 . 0 0 "[ . 1 . 2]" 1
684 1 1 MET HG2 1 50 LYS HE2 5.500 . 5.500 4.325 3.139 5.504 0.004 19 0 "[ . 1 . 2]" 1
685 1 1 MET HG2 1 50 LYS HE3 5.500 . 5.500 4.012 2.942 5.551 0.051 11 0 "[ . 1 . 2]" 1
686 1 42 GLU H 1 42 GLU HB2 4.200 . 4.200 2.661 2.546 2.759 . 0 0 "[ . 1 . 2]" 1
687 1 1 MET HA 1 2 GLN QB 5.500 . 5.500 4.095 4.055 4.217 . 0 0 "[ . 1 . 2]" 1
688 1 2 GLN QB 1 17 THR MG 5.000 . 5.000 3.941 3.863 4.081 . 0 0 "[ . 1 . 2]" 1
689 1 3 TYR H 1 19 GLU QB 4.900 . 4.900 4.521 4.305 4.698 . 0 0 "[ . 1 . 2]" 1
690 1 2 GLN HE22 1 19 GLU QB 5.000 . 5.000 2.785 2.460 3.610 . 0 0 "[ . 1 . 2]" 1
691 1 2 GLN HA 1 19 GLU QB 4.000 . 4.000 3.140 2.851 3.484 . 0 0 "[ . 1 . 2]" 1
692 1 1 MET HA 1 19 GLU QB 5.500 . 5.500 5.403 5.172 5.549 0.049 20 0 "[ . 1 . 2]" 1
693 1 17 THR MG 1 19 GLU QB 5.500 . 5.500 4.972 4.835 5.191 . 0 0 "[ . 1 . 2]" 1
694 1 43 TRP QB 1 43 TRP HE3 3.800 . 3.800 2.502 2.465 2.561 . 0 0 "[ . 1 . 2]" 1
695 1 42 GLU HA 1 43 TRP QB 5.500 . 5.500 4.299 4.241 4.363 . 0 0 "[ . 1 . 2]" 1
696 1 28 LYS QB 1 28 LYS QD 3.400 . 3.400 2.236 2.085 2.376 . 0 0 "[ . 1 . 2]" 1
697 1 28 LYS H 1 28 LYS QD 5.500 . 5.500 4.463 4.111 4.740 . 0 0 "[ . 1 . 2]" 1
698 1 25 THR HA 1 28 LYS QD 4.500 . 4.500 3.633 3.145 4.165 . 0 0 "[ . 1 . 2]" 1
699 1 4 LYS QD 1 6 ILE MD 4.800 . 4.800 3.967 3.695 4.626 . 0 0 "[ . 1 . 2]" 1
700 1 50 LYS HA 1 50 LYS HD2 4.200 . 4.200 2.862 2.664 3.281 . 0 0 "[ . 1 . 2]" 1
701 1 32 GLN HB3 1 33 TYR H 5.300 . 5.300 2.915 2.372 3.408 . 0 0 "[ . 1 . 2]" 1
702 1 32 GLN H 1 32 GLN HB2 4.000 . 4.000 2.030 1.890 2.156 . 0 0 "[ . 1 . 2]" 1
703 1 29 VAL HA 1 32 GLN HB2 4.700 . 4.700 2.708 2.484 3.048 . 0 0 "[ . 1 . 2]" 1
704 1 6 ILE HG12 1 53 THR HA 5.400 . 5.400 5.135 5.084 5.208 . 0 0 "[ . 1 . 2]" 1
705 1 6 ILE H 1 6 ILE HG13 5.200 . 5.200 2.551 2.398 2.679 . 0 0 "[ . 1 . 2]" 1
706 1 7 LEU HA 1 7 LEU HG 4.000 . 4.000 3.060 2.362 3.199 . 0 0 "[ . 1 . 2]" 1
707 1 6 ILE HG13 1 15 GLU QG 5.100 . 5.100 4.109 3.874 4.317 . 0 0 "[ . 1 . 2]" 1
708 1 4 LYS QD 1 6 ILE HG13 5.400 . 5.400 4.306 3.851 4.906 . 0 0 "[ . 1 . 2]" 1
709 1 12 LEU H 1 12 LEU HG 5.200 . 5.200 4.782 4.618 4.850 . 0 0 "[ . 1 . 2]" 1
710 1 7 LEU H 1 7 LEU HG 5.500 . 5.500 4.437 4.306 4.573 . 0 0 "[ . 1 . 2]" 1
711 1 7 LEU HG 1 13 LYS HA 5.200 . 5.200 2.867 2.435 5.073 . 0 0 "[ . 1 . 2]" 1
712 1 5 LEU MD1 1 6 ILE HG13 5.500 . 5.500 4.813 4.726 4.945 . 0 0 "[ . 1 . 2]" 1
713 1 5 LEU MD2 1 6 ILE HG13 5.500 . 5.500 4.998 4.763 5.259 . 0 0 "[ . 1 . 2]" 1
714 1 4 LYS QG 1 6 ILE MD 5.000 . 5.000 4.256 4.055 4.704 . 0 0 "[ . 1 . 2]" 1
715 1 8 ASN HA 1 13 LYS QG 4.300 . 4.300 2.548 2.223 3.121 . 0 0 "[ . 1 . 2]" 1
716 1 4 LYS QG 1 6 ILE HA 5.500 . 5.500 4.657 4.436 4.982 . 0 0 "[ . 1 . 2]" 1
717 1 13 LYS QD 1 13 LYS QG 2.800 . 2.800 2.090 2.001 2.128 . 0 0 "[ . 1 . 2]" 1
718 1 7 LEU MD2 1 8 ASN H 5.500 . 5.500 4.457 2.923 4.684 . 0 0 "[ . 1 . 2]" 1
719 1 7 LEU H 1 7 LEU MD2 5.200 . 5.200 4.355 4.222 4.485 . 0 0 "[ . 1 . 2]" 1
720 1 7 LEU HA 1 7 LEU MD2 4.700 . 4.700 3.827 3.180 3.922 . 0 0 "[ . 1 . 2]" 1
721 1 3 TYR H 1 20 ALA MB 5.500 . 5.500 4.924 4.713 5.164 . 0 0 "[ . 1 . 2]" 1
722 1 3 TYR QD 1 20 ALA MB 4.000 . 4.000 2.671 2.454 2.939 . 0 0 "[ . 1 . 2]" 1
723 1 3 TYR QE 1 20 ALA MB 4.600 . 4.600 2.956 2.726 3.413 . 0 0 "[ . 1 . 2]" 1
724 1 20 ALA MB 1 22 ASP HA 5.000 . 5.000 4.361 4.129 4.641 . 0 0 "[ . 1 . 2]" 1
725 1 20 ALA MB 1 25 THR HB 3.900 . 3.900 2.079 2.009 2.157 . 0 0 "[ . 1 . 2]" 1
726 1 20 ALA MB 1 25 THR HA 5.500 . 5.500 4.203 4.098 4.317 . 0 0 "[ . 1 . 2]" 1
727 1 20 ALA MB 1 26 ALA HA 3.900 . 3.900 2.620 2.496 2.824 . 0 0 "[ . 1 . 2]" 1
728 1 20 ALA MB 1 29 VAL HB 5.300 . 5.300 4.321 4.039 4.521 . 0 0 "[ . 1 . 2]" 1
729 1 20 ALA MB 1 26 ALA MB 3.500 . 3.500 2.055 1.995 2.120 . 0 0 "[ . 1 . 2]" 1
730 1 18 THR MG 1 20 ALA MB 3.800 . 3.800 2.741 2.554 2.892 . 0 0 "[ . 1 . 2]" 1
731 1 11 THR MG 1 12 LEU H 5.200 . 5.200 4.007 3.762 4.223 . 0 0 "[ . 1 . 2]" 1
732 1 16 THR MG 1 17 THR H 5.000 . 5.000 3.944 3.866 3.990 . 0 0 "[ . 1 . 2]" 1
733 1 14 GLY HA2 2 16 THR MG 4.900 . 4.900 3.774 3.594 4.143 . 0 0 "[ . 1 . 2]" 1
734 1 5 LEU HB3 1 16 THR MG 3.500 . 3.500 3.523 3.494 3.555 0.055 7 0 "[ . 1 . 2]" 1
735 1 44 THR H 1 44 THR MG 4.500 . 4.500 3.993 2.788 4.086 . 0 0 "[ . 1 . 2]" 1
736 1 44 THR HA 1 44 THR MG 3.500 . 3.500 2.404 2.324 3.215 . 0 0 "[ . 1 . 2]" 1
737 1 29 VAL MG2 1 33 TYR QE 5.500 . 5.500 4.684 4.379 4.943 . 0 0 "[ . 1 . 2]" 1
738 1 29 VAL HA 1 29 VAL MG2 3.700 . 3.700 2.364 2.339 2.401 . 0 0 "[ . 1 . 2]" 1
739 1 26 ALA HA 1 29 VAL MG2 5.300 . 5.300 3.233 3.091 3.338 . 0 0 "[ . 1 . 2]" 1
740 1 18 THR MG 1 29 VAL MG2 4.200 . 4.200 3.434 3.123 3.608 . 0 0 "[ . 1 . 2]" 1
741 1 21 VAL H 1 25 THR MG 4.000 . 4.000 2.773 2.699 2.830 . 0 0 "[ . 1 . 2]" 1
742 1 22 ASP H 1 25 THR MG 5.200 . 5.200 3.789 3.700 4.020 . 0 0 "[ . 1 . 2]" 1
743 1 8 ASN HD22 1 55 THR MG 5.300 . 5.300 4.662 4.440 4.808 . 0 0 "[ . 1 . 2]" 1
744 1 55 THR HA 1 55 THR MG 3.500 . 3.500 2.412 2.392 2.432 . 0 0 "[ . 1 . 2]" 1
745 1 8 ASN HB2 1 55 THR MG 3.700 . 3.700 2.527 2.429 2.637 . 0 0 "[ . 1 . 2]" 1
746 1 20 ALA MB 1 25 THR MG 2.800 . 2.800 2.287 2.189 2.389 . 0 0 "[ . 1 . 2]" 1
747 1 4 LYS HA 1 17 THR MG 3.800 . 3.800 2.796 2.569 2.944 . 0 0 "[ . 1 . 2]" 1
748 1 3 TYR HA 1 17 THR MG 5.300 . 5.300 4.461 4.414 4.525 . 0 0 "[ . 1 . 2]" 1
749 1 2 GLN HG2 1 17 THR MG 4.200 . 4.200 2.674 2.524 2.812 . 0 0 "[ . 1 . 2]" 1
750 1 2 GLN HG3 1 17 THR MG 4.200 . 4.200 2.263 2.186 2.540 . 0 0 "[ . 1 . 2]" 1
751 1 4 LYS QB 1 17 THR MG 3.600 . 3.600 2.579 2.331 2.773 . 0 0 "[ . 1 . 2]" 1
752 1 4 LYS QD 1 17 THR MG 3.900 . 3.900 3.543 2.918 3.744 . 0 0 "[ . 1 . 2]" 1
753 1 25 THR MG 1 26 ALA H 4.800 . 4.800 3.430 3.326 3.535 . 0 0 "[ . 1 . 2]" 1
754 1 20 ALA HA 1 25 THR MG 5.200 . 5.200 3.364 3.176 3.654 . 0 0 "[ . 1 . 2]" 1
755 1 25 THR HA 1 25 THR MG 3.500 . 3.500 2.348 2.301 2.447 . 0 0 "[ . 1 . 2]" 1
756 1 51 THR MG 1 52 PHE H 4.200 . 4.200 2.338 2.259 2.452 . 0 0 "[ . 1 . 2]" 1
757 1 4 LYS QB 1 51 THR MG 3.700 . 3.700 2.422 2.344 2.522 . 0 0 "[ . 1 . 2]" 1
758 1 4 LYS QD 1 51 THR MG 4.100 . 4.100 2.850 2.569 3.936 . 0 0 "[ . 1 . 2]" 1
759 1 4 LYS QG 1 51 THR MG 3.300 . 3.300 2.823 2.581 3.230 . 0 0 "[ . 1 . 2]" 1
760 1 53 THR HA 1 53 THR MG 3.700 . 3.700 2.380 2.358 2.418 . 0 0 "[ . 1 . 2]" 1
761 1 29 VAL MG1 1 33 TYR QE 5.500 . 5.500 2.883 2.558 3.148 . 0 0 "[ . 1 . 2]" 1
762 1 53 THR MG 1 54 VAL H 3.300 . 3.300 2.441 2.185 3.096 . 0 0 "[ . 1 . 2]" 1
763 1 21 VAL MG2 1 22 ASP QB 4.700 . 4.700 3.003 2.710 3.267 . 0 0 "[ . 1 . 2]" 1
764 1 26 ALA HA 1 29 VAL MG1 5.300 . 5.300 4.144 4.024 4.295 . 0 0 "[ . 1 . 2]" 1
765 1 18 THR MG 1 29 VAL MG1 4.200 . 4.200 2.897 2.374 3.142 . 0 0 "[ . 1 . 2]" 1
766 1 43 TRP HD1 1 54 VAL MG2 5.400 . 5.400 4.217 3.865 4.484 . 0 0 "[ . 1 . 2]" 1
767 1 41 GLY HA3 1 54 VAL MG2 5.500 . 5.500 5.145 4.560 5.557 0.057 9 0 "[ . 1 . 2]" 1
768 1 43 TRP HD1 1 54 VAL MG1 5.400 . 5.400 3.783 3.232 4.527 . 0 0 "[ . 1 . 2]" 1
769 1 48 ALA MB 1 50 LYS H 5.100 . 5.100 4.570 4.481 4.648 . 0 0 "[ . 1 . 2]" 1
770 1 48 ALA MB 1 49 THR HB 4.600 . 4.600 4.164 3.606 4.786 0.186 11 0 "[ . 1 . 2]" 1
771 1 47 ASP HB2 1 48 ALA MB 5.500 . 5.500 5.372 5.087 5.526 0.026 19 0 "[ . 1 . 2]" 1
772 1 47 ASP HB3 1 48 ALA MB 5.500 . 5.500 4.383 3.953 5.455 . 0 0 "[ . 1 . 2]" 1
773 1 48 ALA MB 1 49 THR MG 3.700 . 3.700 2.962 2.217 3.726 0.026 19 0 "[ . 1 . 2]" 1
774 1 3 TYR QD 1 18 THR MG 4.200 . 4.200 3.476 3.198 3.863 . 0 0 "[ . 1 . 2]" 1
775 1 3 TYR HB2 1 18 THR MG 3.800 . 3.800 2.530 2.315 3.030 . 0 0 "[ . 1 . 2]" 1
776 1 18 THR MG 1 29 VAL HB 4.400 . 4.400 2.798 2.602 3.028 . 0 0 "[ . 1 . 2]" 1
777 1 17 THR MG 1 18 THR MG 5.100 . 5.100 4.208 4.099 4.441 . 0 0 "[ . 1 . 2]" 1
778 1 18 THR MG 1 26 ALA MB 3.600 . 3.600 2.460 2.301 2.698 . 0 0 "[ . 1 . 2]" 1
779 1 23 ALA MB 1 27 GLU H 5.200 . 5.200 4.650 4.560 4.718 . 0 0 "[ . 1 . 2]" 1
780 1 3 TYR QE 1 23 ALA MB 4.600 . 4.600 2.420 2.302 2.565 . 0 0 "[ . 1 . 2]" 1
781 1 22 ASP HA 1 23 ALA MB 5.000 . 5.000 4.099 4.023 4.154 . 0 0 "[ . 1 . 2]" 1
782 1 23 ALA MB 1 24 ALA HA 4.900 . 4.900 3.998 3.951 4.065 . 0 0 "[ . 1 . 2]" 1
783 1 22 ASP QB 1 23 ALA MB 4.600 . 4.600 3.900 3.578 4.413 . 0 0 "[ . 1 . 2]" 1
784 1 3 TYR QD 1 26 ALA MB 3.800 . 3.800 2.436 2.336 2.556 . 0 0 "[ . 1 . 2]" 1
785 1 3 TYR HB2 1 26 ALA MB 3.800 . 3.800 2.156 2.099 2.228 . 0 0 "[ . 1 . 2]" 1
786 1 6 ILE MG 1 8 ASN HA 5.500 . 5.500 4.707 4.587 4.858 . 0 0 "[ . 1 . 2]" 1
787 1 6 ILE MG 1 53 THR HA 4.700 . 4.700 3.866 3.672 3.994 . 0 0 "[ . 1 . 2]" 1
788 1 6 ILE HA 1 6 ILE MG 3.600 . 3.600 2.396 2.370 2.420 . 0 0 "[ . 1 . 2]" 1
789 1 6 ILE MG 1 8 ASN HB2 5.300 . 5.300 4.916 4.854 4.979 . 0 0 "[ . 1 . 2]" 1
790 1 6 ILE MG 1 53 THR MG 3.200 . 3.200 2.751 2.525 2.870 . 0 0 "[ . 1 . 2]" 1
791 1 24 ALA MB 1 25 THR HA 5.200 . 5.200 4.114 4.059 4.144 . 0 0 "[ . 1 . 2]" 1
792 1 22 ASP QB 1 24 ALA MB 5.200 . 5.200 3.482 2.818 4.222 . 0 0 "[ . 1 . 2]" 1
793 1 1 MET HB2 1 3 TYR QE 5.500 . 5.500 3.951 2.405 5.016 . 0 0 "[ . 1 . 2]" 1
794 1 45 TYR QE 1 50 LYS HA 4.200 . 4.200 2.737 2.508 2.992 . 0 0 "[ . 1 . 2]" 1
795 1 16 THR MG 1 30 PHE QE 5.500 . 5.500 4.674 4.349 5.003 . 0 0 "[ . 1 . 2]" 1
796 1 28 LYS H 1 29 VAL HA 5.500 . 5.500 5.273 5.153 5.350 . 0 0 "[ . 1 . 2]" 1
797 1 29 VAL HA 1 33 TYR QE 5.500 . 5.500 4.673 4.416 4.963 . 0 0 "[ . 1 . 2]" 1
798 1 25 THR HA 1 29 VAL H 5.500 . 5.500 3.954 3.875 4.038 . 0 0 "[ . 1 . 2]" 1
799 1 30 PHE HB2 1 43 TRP HH2 5.500 . 5.500 2.984 2.415 3.275 . 0 0 "[ . 1 . 2]" 1
800 1 41 GLY HA3 1 54 VAL MG1 5.500 . 5.500 2.771 2.203 3.692 . 0 0 "[ . 1 . 2]" 1
801 1 3 TYR HB3 1 20 ALA MB 5.500 . 5.500 5.043 4.882 5.362 . 0 0 "[ . 1 . 2]" 1
802 1 5 LEU HB2 1 30 PHE QD 5.500 . 5.500 3.162 3.121 3.240 . 0 0 "[ . 1 . 2]" 1
803 1 5 LEU HB2 1 30 PHE QE 5.200 . 5.200 3.066 3.012 3.230 . 0 0 "[ . 1 . 2]" 1
804 1 5 LEU HB3 1 30 PHE QE 5.400 . 5.400 3.577 3.339 3.954 . 0 0 "[ . 1 . 2]" 1
805 1 7 LEU HB3 1 8 ASN H 5.500 . 5.500 4.161 3.982 4.317 . 0 0 "[ . 1 . 2]" 1
806 1 8 ASN HB2 1 9 GLY HA2 5.500 . 5.500 4.675 4.444 4.820 . 0 0 "[ . 1 . 2]" 1
807 1 8 ASN HB3 1 9 GLY HA2 5.500 . 5.500 4.701 4.478 4.856 . 0 0 "[ . 1 . 2]" 1
808 1 8 ASN H 1 54 VAL HB 5.500 . 5.500 3.376 3.110 3.667 . 0 0 "[ . 1 . 2]" 1
809 1 6 ILE HG12 1 7 LEU H 5.500 . 5.500 4.550 4.442 4.622 . 0 0 "[ . 1 . 2]" 1
810 1 1 MET QG 1 2 GLN H 3.500 . 3.500 2.931 2.285 3.463 . 0 0 "[ . 1 . 2]" 1
811 1 1 MET QG 1 3 TYR QE 5.300 . 5.300 3.406 2.339 4.357 . 0 0 "[ . 1 . 2]" 1
812 1 1 MET QG 1 50 LYS QD 5.200 . 5.200 3.943 3.320 5.138 . 0 0 "[ . 1 . 2]" 1
813 1 1 MET QG 1 50 LYS QE 4.800 . 4.800 3.267 2.837 4.071 . 0 0 "[ . 1 . 2]" 1
814 1 16 THR HA 2 14 GLY QA . . 3.500 2.206 2.162 2.249 . 0 0 "[ . 1 . 2]" 1
815 1 37 ASN QD 2 33 TYR HA 4.800 . 4.800 2.717 2.098 3.853 . 0 0 "[ . 1 . 2]" 1
816 1 39 VAL QG 1 41 GLY QA 5.100 . 5.100 2.841 2.383 3.971 . 0 0 "[ . 1 . 2]" 1
817 1 41 GLY QA 1 42 GLU H 2.900 . 2.900 2.202 2.114 2.250 . 0 0 "[ . 1 . 2]" 1
818 1 41 GLY QA 1 54 VAL QG 4.500 . 4.500 2.718 2.180 3.555 . 0 0 "[ . 1 . 2]" 1
819 1 41 GLY QA 1 55 THR H 5.100 . 5.100 3.119 2.578 3.803 . 0 0 "[ . 1 . 2]" 1
820 1 41 GLY QA 1 56 GLU QG 4.600 . 4.600 3.225 1.963 4.058 . 0 0 "[ . 1 . 2]" 1
821 1 1 MET QB 1 2 GLN H 4.400 . 4.400 3.386 2.357 3.754 . 0 0 "[ . 1 . 2]" 1
822 1 1 MET QB 1 3 TYR QE 4.700 . 4.700 2.598 2.330 4.376 . 0 0 "[ . 1 . 2]" 1
823 1 1 MET QB 1 50 LYS QE 4.500 . 4.500 4.472 3.999 4.586 0.086 6 0 "[ . 1 . 2]" 1
824 1 1 MET HG2 1 50 LYS QD 5.300 . 5.300 4.304 3.586 5.361 0.061 19 0 "[ . 1 . 2]" 1
825 1 2 GLN H 1 19 GLU QG 4.600 . 4.600 4.053 3.510 4.539 . 0 0 "[ . 1 . 2]" 1
826 1 2 GLN HA 1 2 GLN QG 3.300 . 3.300 2.504 2.302 2.582 . 0 0 "[ . 1 . 2]" 1
827 1 2 GLN HE22 1 2 GLN QG 3.400 . 3.400 3.342 3.315 3.353 . 0 0 "[ . 1 . 2]" 1
828 1 2 GLN QG 1 3 TYR H 3.500 . 3.500 2.410 2.264 2.524 . 0 0 "[ . 1 . 2]" 1
829 1 2 GLN QG 1 17 THR HB 4.400 . 4.400 4.375 4.337 4.403 0.003 13 0 "[ . 1 . 2]" 1
830 1 2 GLN QG 1 17 THR MG 3.600 . 3.600 2.141 2.093 2.277 . 0 0 "[ . 1 . 2]" 1
831 1 2 GLN QG 1 18 THR H 4.200 . 4.200 3.564 3.285 3.717 . 0 0 "[ . 1 . 2]" 1
832 1 3 TYR HA 1 50 LYS QB 4.400 . 4.400 2.675 2.294 2.924 . 0 0 "[ . 1 . 2]" 1
833 1 3 TYR HA 1 50 LYS QG 5.300 . 5.300 4.462 3.906 4.805 . 0 0 "[ . 1 . 2]" 1
834 1 3 TYR QD 1 50 LYS QB 4.200 . 4.200 2.594 2.400 2.758 . 0 0 "[ . 1 . 2]" 1
835 1 3 TYR QD 1 50 LYS QD 5.300 . 5.300 3.781 3.344 5.055 . 0 0 "[ . 1 . 2]" 1
836 1 4 LYS H 1 50 LYS QB 5.300 . 5.300 3.904 3.597 4.120 . 0 0 "[ . 1 . 2]" 1
837 1 4 LYS QB 1 4 LYS QE 4.200 . 4.200 3.478 2.123 3.681 . 0 0 "[ . 1 . 2]" 1
838 1 4 LYS QE 1 6 ILE HG13 4.800 . 4.800 3.619 2.995 4.741 . 0 0 "[ . 1 . 2]" 1
839 1 4 LYS QE 1 15 GLU QB 4.300 . 4.300 2.735 2.310 4.133 . 0 0 "[ . 1 . 2]" 1
840 1 4 LYS QE 1 17 THR MG 4.400 . 4.400 4.398 4.254 4.449 0.049 10 0 "[ . 1 . 2]" 1
841 1 4 LYS QE 1 51 THR MG 5.300 . 5.300 3.563 2.191 4.296 . 0 0 "[ . 1 . 2]" 1
842 1 5 LEU H 1 5 LEU QD 4.700 . 4.700 3.825 3.783 3.841 . 0 0 "[ . 1 . 2]" 1
843 1 5 LEU HA 1 5 LEU QD 4.100 . 4.100 2.179 2.144 2.229 . 0 0 "[ . 1 . 2]" 1
844 1 5 LEU HA 1 52 PHE QB 4.300 . 4.300 2.389 2.279 2.471 . 0 0 "[ . 1 . 2]" 1
845 1 5 LEU QD 1 6 ILE H 3.700 . 3.700 2.484 2.288 2.746 . 0 0 "[ . 1 . 2]" 1
846 1 5 LEU QD 1 7 LEU H 5.000 . 5.000 3.470 3.282 3.586 . 0 0 "[ . 1 . 2]" 1
847 1 5 LEU QD 1 16 THR MG 5.400 . 5.400 3.106 2.603 3.382 . 0 0 "[ . 1 . 2]" 1
848 1 5 LEU QD 1 30 PHE H 5.400 . 5.400 5.094 4.954 5.386 . 0 0 "[ . 1 . 2]" 1
849 1 5 LEU QD 1 30 PHE HB2 4.500 . 4.500 3.278 3.137 3.639 . 0 0 "[ . 1 . 2]" 1
850 1 5 LEU QD 1 30 PHE HB3 4.900 . 4.900 2.530 2.419 2.744 . 0 0 "[ . 1 . 2]" 1
851 1 5 LEU QD 1 30 PHE QD 5.000 . 5.000 2.903 2.702 3.276 . 0 0 "[ . 1 . 2]" 1
852 1 5 LEU QD 1 30 PHE QE 4.800 . 4.800 3.753 3.616 3.955 . 0 0 "[ . 1 . 2]" 1
853 1 5 LEU QD 1 43 TRP HE3 5.000 . 5.000 3.674 3.455 4.108 . 0 0 "[ . 1 . 2]" 1
854 1 5 LEU QD 1 43 TRP HZ3 4.800 . 4.800 2.531 2.372 2.867 . 0 0 "[ . 1 . 2]" 1
855 1 5 LEU QD 1 43 TRP HH2 5.400 . 5.400 3.003 2.807 3.227 . 0 0 "[ . 1 . 2]" 1
856 1 5 LEU QD 1 52 PHE H 5.400 . 5.400 3.871 3.794 4.008 . 0 0 "[ . 1 . 2]" 1
857 1 5 LEU QD 1 52 PHE QB 3.800 . 3.800 2.040 1.986 2.123 . 0 0 "[ . 1 . 2]" 1
858 1 5 LEU QD 1 53 THR H 4.900 . 4.900 3.775 3.669 3.892 . 0 0 "[ . 1 . 2]" 1
859 1 5 LEU QD 1 53 THR HA 5.200 . 5.200 3.303 3.063 3.515 . 0 0 "[ . 1 . 2]" 1
860 1 5 LEU QD 1 54 VAL H 4.900 . 4.900 3.435 3.034 3.710 . 0 0 "[ . 1 . 2]" 1
861 1 5 LEU QD 1 54 VAL HB 5.300 . 5.300 3.041 2.647 3.274 . 0 0 "[ . 1 . 2]" 1
862 1 5 LEU QD 1 54 VAL QG 4.200 . 4.200 1.987 1.901 2.070 . 0 0 "[ . 1 . 2]" 1
863 1 6 ILE H 1 52 PHE QB 4.900 . 4.900 3.713 3.572 3.799 . 0 0 "[ . 1 . 2]" 1
864 1 7 LEU H 1 7 LEU QD 4.600 . 4.600 3.874 3.798 3.943 . 0 0 "[ . 1 . 2]" 1
865 1 7 LEU HA 1 7 LEU QD 4.100 . 4.100 2.197 2.101 2.983 . 0 0 "[ . 1 . 2]" 1
866 1 7 LEU HA 1 54 VAL QG 4.500 . 4.500 3.559 3.445 3.754 . 0 0 "[ . 1 . 2]" 1
867 1 7 LEU HB2 1 54 VAL QG 5.400 . 5.400 4.349 4.051 4.485 . 0 0 "[ . 1 . 2]" 1
868 1 7 LEU HG 1 54 VAL QG 5.400 . 5.400 4.728 3.412 5.121 . 0 0 "[ . 1 . 2]" 1
869 1 7 LEU QD 1 8 ASN H 4.600 . 4.600 2.458 2.026 2.892 . 0 0 "[ . 1 . 2]" 1
870 1 7 LEU QD 1 9 GLY H 4.700 . 4.700 4.476 2.816 4.697 . 0 0 "[ . 1 . 2]" 1
871 1 7 LEU QD 1 9 GLY HA3 5.400 . 5.400 3.998 3.253 4.433 . 0 0 "[ . 1 . 2]" 1
872 1 7 LEU QD 1 12 LEU H 5.400 . 5.400 4.683 3.890 5.443 0.043 2 0 "[ . 1 . 2]" 1
873 1 7 LEU QD 1 12 LEU QB 4.600 . 4.600 2.868 2.243 3.710 . 0 0 "[ . 1 . 2]" 1
874 1 7 LEU QD 1 12 LEU HG 4.100 . 4.100 3.168 2.297 4.163 0.063 5 0 "[ . 1 . 2]" 1
875 1 7 LEU QD 1 12 LEU QD 4.100 . 4.100 2.054 1.901 2.189 . 0 0 "[ . 1 . 2]" 1
876 1 7 LEU QD 1 13 LYS H 5.400 . 5.400 4.021 3.430 4.613 . 0 0 "[ . 1 . 2]" 1
877 1 7 LEU QD 1 14 GLY H 5.000 . 5.000 3.490 3.211 3.765 . 0 0 "[ . 1 . 2]" 1
878 1 7 LEU QD 1 15 GLU H 5.400 . 5.400 4.933 4.609 5.149 . 0 0 "[ . 1 . 2]" 1
879 1 7 LEU QD 1 34 PHE QD 4.900 . 4.900 2.846 2.500 3.119 . 0 0 "[ . 1 . 2]" 1
880 1 7 LEU QD 1 34 PHE QE 4.000 . 4.000 2.513 2.218 3.071 . 0 0 "[ . 1 . 2]" 1
881 1 8 ASN H 1 54 VAL QG 5.000 . 5.000 3.696 3.474 3.926 . 0 0 "[ . 1 . 2]" 1
882 1 12 LEU QD 1 13 LYS H 4.800 . 4.800 2.759 2.576 2.920 . 0 0 "[ . 1 . 2]" 1
883 1 14 GLY QA 1 15 GLU H 3.000 . 3.000 2.206 2.193 2.220 . 0 0 "[ . 1 . 2]" 1
884 1 14 GLY QA 1 15 GLU QB 5.300 . 5.300 4.079 4.008 4.194 . 0 0 "[ . 1 . 2]" 1
885 1 18 THR HB 1 29 VAL QG 4.500 . 4.500 3.065 2.849 3.229 . 0 0 "[ . 1 . 2]" 1
886 1 18 THR MG 1 29 VAL QG 3.500 . 3.500 2.749 2.311 2.952 . 0 0 "[ . 1 . 2]" 1
887 1 19 GLU H 1 19 GLU QG 4.700 . 4.700 4.103 4.048 4.244 . 0 0 "[ . 1 . 2]" 1
888 1 19 GLU QG 1 20 ALA H 3.900 . 3.900 2.681 2.396 3.188 . 0 0 "[ . 1 . 2]" 1
889 1 20 ALA H 1 21 VAL QG 5.400 . 5.400 5.341 5.323 5.389 . 0 0 "[ . 1 . 2]" 1
890 1 20 ALA HA 1 21 VAL QG 4.800 . 4.800 3.875 3.776 4.033 . 0 0 "[ . 1 . 2]" 1
891 1 20 ALA MB 1 21 VAL QG 4.100 . 4.100 3.217 3.149 3.304 . 0 0 "[ . 1 . 2]" 1
892 1 20 ALA MB 1 29 VAL QG 4.200 . 4.200 3.362 3.168 3.484 . 0 0 "[ . 1 . 2]" 1
893 1 21 VAL H 1 21 VAL QG 2.800 . 2.800 1.938 1.820 2.022 . 0 0 "[ . 1 . 2]" 1
894 1 21 VAL QG 1 22 ASP H 3.300 . 3.300 2.086 1.860 2.747 . 0 0 "[ . 1 . 2]" 1
895 1 21 VAL QG 1 22 ASP QB 4.100 . 4.100 2.693 2.458 2.977 . 0 0 "[ . 1 . 2]" 1
896 1 21 VAL QG 1 24 ALA H 5.200 . 5.200 4.937 4.747 5.052 . 0 0 "[ . 1 . 2]" 1
897 1 21 VAL QG 1 25 THR H 4.600 . 4.600 3.638 3.462 3.752 . 0 0 "[ . 1 . 2]" 1
898 1 21 VAL QG 1 25 THR HB 4.800 . 4.800 2.593 2.388 2.709 . 0 0 "[ . 1 . 2]" 1
899 1 25 THR HA 1 29 VAL QG 5.400 . 5.400 4.106 4.040 4.179 . 0 0 "[ . 1 . 2]" 1
900 1 25 THR MG 1 29 VAL QG 3.500 . 3.500 2.741 2.659 2.816 . 0 0 "[ . 1 . 2]" 1
901 1 26 ALA HA 1 29 VAL QG 4.100 . 4.100 3.124 3.024 3.224 . 0 0 "[ . 1 . 2]" 1
902 1 27 GLU QB 1 31 LYS QD 4.400 . 4.400 3.897 2.662 4.397 . 0 0 "[ . 1 . 2]" 1
903 1 28 LYS H 1 28 LYS QG 4.500 . 4.500 3.939 3.897 4.030 . 0 0 "[ . 1 . 2]" 1
904 1 28 LYS H 1 29 VAL QG 4.900 . 4.900 4.185 4.060 4.276 . 0 0 "[ . 1 . 2]" 1
905 1 28 LYS H 1 31 LYS QD 5.300 . 5.300 5.056 4.719 5.366 0.066 14 0 "[ . 1 . 2]" 1
906 1 28 LYS HA 1 31 LYS QD 5.000 . 5.000 3.477 3.254 3.888 . 0 0 "[ . 1 . 2]" 1
907 1 28 LYS QG 1 29 VAL H 4.600 . 4.600 3.599 3.329 4.171 . 0 0 "[ . 1 . 2]" 1
908 1 28 LYS QG 1 29 VAL HA 5.200 . 5.200 4.003 3.670 4.894 . 0 0 "[ . 1 . 2]" 1
909 1 28 LYS QG 1 29 VAL QG 4.800 . 4.800 3.944 3.567 4.585 . 0 0 "[ . 1 . 2]" 1
910 1 28 LYS QD 1 29 VAL QG 4.900 . 4.900 4.363 3.082 4.902 0.002 13 0 "[ . 1 . 2]" 1
911 1 28 LYS QE 1 29 VAL QG 5.200 . 5.200 4.569 3.480 5.182 . 0 0 "[ . 1 . 2]" 1
912 1 29 VAL H 1 29 VAL QG 3.100 . 3.100 2.080 2.015 2.147 . 0 0 "[ . 1 . 2]" 1
913 1 29 VAL HA 1 32 GLN QG 5.300 . 5.300 4.129 3.817 4.774 . 0 0 "[ . 1 . 2]" 1
914 1 29 VAL HA 1 32 GLN QE 5.300 . 5.300 3.184 2.075 5.051 . 0 0 "[ . 1 . 2]" 1
915 1 29 VAL QG 1 30 PHE H 3.800 . 3.800 2.896 2.788 2.980 . 0 0 "[ . 1 . 2]" 1
916 1 29 VAL QG 1 30 PHE HA 5.200 . 5.200 3.328 3.240 3.438 . 0 0 "[ . 1 . 2]" 1
917 1 29 VAL QG 1 31 LYS H 5.400 . 5.400 4.571 4.495 4.623 . 0 0 "[ . 1 . 2]" 1
918 1 29 VAL QG 1 32 GLN HB2 4.700 . 4.700 3.807 3.572 4.147 . 0 0 "[ . 1 . 2]" 1
919 1 29 VAL QG 1 32 GLN HB3 5.000 . 5.000 4.133 3.651 4.520 . 0 0 "[ . 1 . 2]" 1
920 1 29 VAL QG 1 33 TYR H 5.400 . 5.400 4.199 3.971 4.472 . 0 0 "[ . 1 . 2]" 1
921 1 29 VAL QG 1 33 TYR QD 4.200 . 4.200 3.063 2.867 3.352 . 0 0 "[ . 1 . 2]" 1
922 1 29 VAL QG 1 33 TYR QE 4.200 . 4.200 2.857 2.545 3.106 . 0 0 "[ . 1 . 2]" 1
923 1 31 LYS H 1 31 LYS QG 4.200 . 4.200 2.897 2.704 3.873 . 0 0 "[ . 1 . 2]" 1
924 1 31 LYS H 1 31 LYS QD 5.300 . 5.300 4.009 2.916 4.236 . 0 0 "[ . 1 . 2]" 1
925 1 31 LYS HA 1 31 LYS QG 3.700 . 3.700 2.204 2.134 2.274 . 0 0 "[ . 1 . 2]" 1
926 1 31 LYS HA 1 31 LYS QD 4.800 . 4.800 3.886 2.709 4.125 . 0 0 "[ . 1 . 2]" 1
927 1 31 LYS QG 1 32 GLN H 5.300 . 5.300 4.615 4.538 4.842 . 0 0 "[ . 1 . 2]" 1
928 1 31 LYS QG 1 43 TRP HZ2 5.300 . 5.300 2.843 2.559 3.299 . 0 0 "[ . 1 . 2]" 1
929 1 31 LYS QG 1 43 TRP HH2 5.300 . 5.300 2.900 2.584 4.182 . 0 0 "[ . 1 . 2]" 1
930 1 31 LYS QD 1 32 GLN H 5.300 . 5.300 5.341 4.911 5.416 0.116 15 0 "[ . 1 . 2]" 1
931 1 31 LYS QD 1 43 TRP HZ2 5.300 . 5.300 4.862 3.364 5.151 . 0 0 "[ . 1 . 2]" 1
932 1 31 LYS QD 1 43 TRP HH2 5.300 . 5.300 4.854 2.810 5.234 . 0 0 "[ . 1 . 2]" 1
933 1 31 LYS QE 1 43 TRP HD1 5.300 . 5.300 4.432 3.859 5.341 0.041 16 0 "[ . 1 . 2]" 1
934 1 31 LYS QE 1 43 TRP HE1 5.300 . 5.300 4.009 3.345 5.128 . 0 0 "[ . 1 . 2]" 1
935 1 31 LYS QE 1 43 TRP HZ2 5.300 . 5.300 4.125 3.219 4.891 . 0 0 "[ . 1 . 2]" 1
936 1 32 GLN H 1 32 GLN QG 4.700 . 4.700 3.295 2.569 3.971 . 0 0 "[ . 1 . 2]" 1
937 1 32 GLN H 1 32 GLN QE 4.800 . 4.800 3.607 2.624 4.567 . 0 0 "[ . 1 . 2]" 1
938 1 32 GLN H 1 33 TYR QB 5.300 . 5.300 4.686 4.473 4.813 . 0 0 "[ . 1 . 2]" 1
939 1 32 GLN HA 1 32 GLN QG 3.500 . 3.500 2.426 2.259 2.875 . 0 0 "[ . 1 . 2]" 1
940 1 32 GLN HA 1 32 GLN QE 5.100 . 5.100 3.990 2.167 4.703 . 0 0 "[ . 1 . 2]" 1
941 1 32 GLN HA 1 35 ASN QD 5.300 . 5.300 3.340 2.292 5.350 0.050 12 0 "[ . 1 . 2]" 1
942 1 32 GLN QG 1 33 TYR H 5.300 . 5.300 4.237 3.797 4.531 . 0 0 "[ . 1 . 2]" 1
943 1 35 ASN HA 1 35 ASN QD 4.100 . 4.100 3.794 2.460 4.172 0.072 1 0 "[ . 1 . 2]" 1
944 1 36 ASP H 1 39 VAL QG 5.400 . 5.400 4.787 4.073 5.433 0.033 19 0 "[ . 1 . 2]" 1
945 1 36 ASP HA 1 39 VAL QG 5.400 . 5.400 4.428 3.447 5.123 . 0 0 "[ . 1 . 2]" 1
946 1 36 ASP HA 1 40 ASP QB 3.600 . 3.600 2.859 2.139 3.504 . 0 0 "[ . 1 . 2]" 1
947 1 37 ASN H 1 37 ASN QB 3.500 . 3.500 2.682 2.376 3.501 0.001 20 0 "[ . 1 . 2]" 1
948 1 37 ASN H 1 37 ASN QD 4.500 . 4.500 3.583 3.072 4.084 . 0 0 "[ . 1 . 2]" 1
949 1 37 ASN QB 1 39 VAL H 4.800 . 4.800 4.362 3.377 4.955 0.155 10 0 "[ . 1 . 2]" 1
950 1 37 ASN QB 1 39 VAL QG 5.300 . 5.300 4.163 2.345 5.153 . 0 0 "[ . 1 . 2]" 1
951 1 37 ASN QD 1 38 GLY H 5.300 . 5.300 4.238 3.818 5.366 0.066 20 0 "[ . 1 . 2]" 1
952 1 37 ASN QD 1 39 VAL QG 4.600 . 4.600 4.005 2.756 4.640 0.040 18 0 "[ . 1 . 2]" 1
953 1 38 GLY H 1 39 VAL QG 5.400 . 5.400 3.219 2.731 4.266 . 0 0 "[ . 1 . 2]" 1
954 1 38 GLY QA 1 39 VAL HA 5.300 . 5.300 4.053 3.934 4.135 . 0 0 "[ . 1 . 2]" 1
955 1 39 VAL H 1 39 VAL QG 3.500 . 3.500 2.217 1.881 2.580 . 0 0 "[ . 1 . 2]" 1
956 1 39 VAL HA 1 40 ASP QB 5.300 . 5.300 4.532 4.244 5.013 . 0 0 "[ . 1 . 2]" 1
957 1 39 VAL QG 1 40 ASP H 3.600 . 3.600 2.601 2.034 3.698 0.098 15 0 "[ . 1 . 2]" 1
958 1 39 VAL QG 1 41 GLY H 4.500 . 4.500 2.433 2.032 3.832 . 0 0 "[ . 1 . 2]" 1
959 1 39 VAL QG 1 41 GLY HA3 5.200 . 5.200 2.929 2.428 4.115 . 0 0 "[ . 1 . 2]" 1
960 1 39 VAL QG 1 42 GLU H 5.400 . 5.400 4.863 4.386 5.517 0.117 7 0 "[ . 1 . 2]" 1
961 1 39 VAL QG 1 56 GLU QB 4.600 . 4.600 3.579 2.146 4.486 . 0 0 "[ . 1 . 2]" 1
962 1 39 VAL QG 1 56 GLU QG 4.600 . 4.600 2.393 2.080 2.975 . 0 0 "[ . 1 . 2]" 1
963 1 40 ASP H 1 40 ASP QB 3.600 . 3.600 2.626 2.196 2.781 . 0 0 "[ . 1 . 2]" 1
964 1 41 GLY HA2 1 54 VAL QG 5.400 . 5.400 4.136 3.585 4.975 . 0 0 "[ . 1 . 2]" 1
965 1 41 GLY HA3 1 54 VAL QG 4.800 . 4.800 2.758 2.198 3.641 . 0 0 "[ . 1 . 2]" 1
966 1 42 GLU H 1 42 GLU QB 3.400 . 3.400 2.286 2.251 2.315 . 0 0 "[ . 1 . 2]" 1
967 1 42 GLU H 1 42 GLU QG 4.800 . 4.800 4.049 4.001 4.103 . 0 0 "[ . 1 . 2]" 1
968 1 42 GLU H 1 54 VAL QG 4.900 . 4.900 3.861 3.637 4.075 . 0 0 "[ . 1 . 2]" 1
969 1 42 GLU QB 1 55 THR HB 4.400 . 4.400 3.198 2.449 3.466 . 0 0 "[ . 1 . 2]" 1
970 1 42 GLU QB 1 55 THR MG 4.400 . 4.400 4.143 3.706 4.295 . 0 0 "[ . 1 . 2]" 1
971 1 42 GLU QG 1 43 TRP H 4.500 . 4.500 3.011 2.149 3.449 . 0 0 "[ . 1 . 2]" 1
972 1 42 GLU QG 1 44 THR MG 5.000 . 5.000 4.912 4.254 5.070 0.070 19 0 "[ . 1 . 2]" 1
973 1 42 GLU QG 1 55 THR HB 5.300 . 5.300 4.650 3.766 5.041 . 0 0 "[ . 1 . 2]" 1
974 1 43 TRP HA 1 54 VAL QG 4.800 . 4.800 2.780 2.418 3.120 . 0 0 "[ . 1 . 2]" 1
975 1 43 TRP QB 1 54 VAL QG 5.400 . 5.400 3.625 3.262 3.906 . 0 0 "[ . 1 . 2]" 1
976 1 43 TRP HD1 1 54 VAL QG 4.600 . 4.600 3.515 3.077 3.865 . 0 0 "[ . 1 . 2]" 1
977 1 43 TRP HE1 1 54 VAL QG 4.700 . 4.700 3.136 2.838 3.406 . 0 0 "[ . 1 . 2]" 1
978 1 44 THR H 1 52 PHE QB 5.300 . 5.300 4.288 4.145 4.425 . 0 0 "[ . 1 . 2]" 1
979 1 44 THR H 1 54 VAL QG 5.400 . 5.400 3.746 3.348 3.998 . 0 0 "[ . 1 . 2]" 1
980 1 44 THR MG 1 45 TYR QB 4.200 . 4.200 4.218 4.132 4.345 0.145 9 0 "[ . 1 . 2]" 1
981 1 45 TYR H 1 45 TYR QB 3.300 . 3.300 2.570 2.512 2.639 . 0 0 "[ . 1 . 2]" 1
982 1 45 TYR QB 1 52 PHE QD 5.300 . 5.300 2.648 2.433 2.832 . 0 0 "[ . 1 . 2]" 1
983 1 45 TYR QE 1 47 ASP QB 4.000 . 4.000 2.356 2.298 2.597 . 0 0 "[ . 1 . 2]" 1
984 1 46 ASP H 1 46 ASP QB 3.200 . 3.200 2.474 2.336 2.551 . 0 0 "[ . 1 . 2]" 1
985 1 46 ASP QB 1 47 ASP H 4.400 . 4.400 3.760 3.565 4.061 . 0 0 "[ . 1 . 2]" 1
986 1 46 ASP QB 1 49 THR H 4.200 . 4.200 3.317 2.919 3.707 . 0 0 "[ . 1 . 2]" 1
987 1 46 ASP QB 1 49 THR MG 5.300 . 5.300 2.670 2.107 3.906 . 0 0 "[ . 1 . 2]" 1
988 1 46 ASP QB 1 50 LYS H 4.800 . 4.800 4.524 4.005 4.813 0.013 15 0 "[ . 1 . 2]" 1
989 1 46 ASP QB 1 51 THR H 3.800 . 3.800 3.333 2.850 3.565 . 0 0 "[ . 1 . 2]" 1
990 1 46 ASP QB 1 51 THR HB 4.400 . 4.400 3.118 2.491 3.423 . 0 0 "[ . 1 . 2]" 1
991 1 46 ASP QB 1 51 THR MG 4.900 . 4.900 4.195 3.867 4.403 . 0 0 "[ . 1 . 2]" 1
992 1 47 ASP QB 1 48 ALA H 3.700 . 3.700 2.805 2.455 3.584 . 0 0 "[ . 1 . 2]" 1
993 1 47 ASP QB 1 48 ALA MB 4.700 . 4.700 4.159 3.851 4.715 0.015 2 0 "[ . 1 . 2]" 1
994 1 49 THR H 1 50 LYS QB 5.300 . 5.300 5.081 5.000 5.181 . 0 0 "[ . 1 . 2]" 1
995 1 49 THR H 1 50 LYS QG 5.300 . 5.300 4.613 4.325 5.320 0.020 8 0 "[ . 1 . 2]" 1
996 1 49 THR HA 1 50 LYS QD 5.300 . 5.300 4.831 3.185 5.342 0.042 10 0 "[ . 1 . 2]" 1
997 1 50 LYS H 1 50 LYS QG 3.400 . 3.400 2.815 2.408 3.368 . 0 0 "[ . 1 . 2]" 1
998 1 50 LYS H 1 50 LYS QE 5.300 . 5.300 4.183 3.639 4.672 . 0 0 "[ . 1 . 2]" 1
999 1 50 LYS HA 1 50 LYS QG 3.700 . 3.700 2.995 2.296 3.169 . 0 0 "[ . 1 . 2]" 1
1000 1 50 LYS HA 1 50 LYS QD 3.700 . 3.700 2.283 2.106 3.141 . 0 0 "[ . 1 . 2]" 1
1001 1 50 LYS QB 1 50 LYS QE 4.300 . 4.300 3.692 3.563 3.792 . 0 0 "[ . 1 . 2]" 1
1002 1 50 LYS QE 1 50 LYS QG 3.100 . 3.100 2.207 2.097 2.370 . 0 0 "[ . 1 . 2]" 1
1003 1 51 THR HA 1 52 PHE QB 5.300 . 5.300 4.175 4.122 4.252 . 0 0 "[ . 1 . 2]" 1
1004 1 51 THR MG 1 52 PHE QB 5.300 . 5.300 4.005 3.944 4.113 . 0 0 "[ . 1 . 2]" 1
1005 1 52 PHE QB 1 53 THR H 3.800 . 3.800 2.700 2.644 2.776 . 0 0 "[ . 1 . 2]" 1
1006 1 52 PHE QB 1 54 VAL H 5.300 . 5.300 5.153 4.602 5.346 0.046 16 0 "[ . 1 . 2]" 1
1007 1 53 THR H 1 54 VAL QG 5.400 . 5.400 3.846 3.485 4.098 . 0 0 "[ . 1 . 2]" 1
1008 1 53 THR HA 1 54 VAL QG 5.400 . 5.400 3.530 3.441 3.739 . 0 0 "[ . 1 . 2]" 1
1009 1 54 VAL H 1 54 VAL QG 3.800 . 3.800 2.823 2.400 3.048 . 0 0 "[ . 1 . 2]" 1
1010 1 54 VAL QG 1 55 THR H 3.800 . 3.800 2.347 2.121 2.522 . 0 0 "[ . 1 . 2]" 1
1011 1 54 VAL QG 1 55 THR HA 5.100 . 5.100 3.729 3.506 3.850 . 0 0 "[ . 1 . 2]" 1
1012 1 54 VAL QG 1 56 GLU H 5.300 . 5.300 4.459 3.462 4.999 . 0 0 "[ . 1 . 2]" 1
1013 1 54 VAL QG 1 56 GLU QG 5.100 . 5.100 4.432 3.797 5.112 0.012 12 0 "[ . 1 . 2]" 1
1014 2 20 ALA H 2 21 VAL MG1 5.500 . 5.500 5.702 5.675 5.722 0.222 7 0 "[ . 1 . 2]" 1
1015 2 21 VAL MG1 2 24 ALA H 5.200 . 5.200 5.190 5.091 5.270 0.070 18 0 "[ . 1 . 2]" 1
1016 2 21 VAL MG1 2 25 THR H 4.600 . 4.600 3.790 3.665 3.883 . 0 0 "[ . 1 . 2]" 1
1017 2 21 VAL H 2 21 VAL MG1 2.800 . 2.800 1.837 1.798 1.876 0.002 13 0 "[ . 1 . 2]" 1
1018 2 21 VAL MG1 2 22 ASP H 3.300 . 3.300 2.222 2.132 2.312 . 0 0 "[ . 1 . 2]" 1
1019 2 42 GLU HB3 2 55 THR HB 4.700 . 4.700 3.311 3.018 3.502 . 0 0 "[ . 1 . 2]" 1
1020 1 12 LEU QB 2 18 THR HB 4.800 . 4.800 3.789 2.924 4.331 . 0 0 "[ . 1 . 2]" 1
1021 2 21 VAL MG1 2 25 THR HB 4.800 . 4.800 2.592 2.472 2.750 . 0 0 "[ . 1 . 2]" 1
1022 2 21 VAL HA 2 21 VAL MG2 3.300 . 3.300 2.441 2.427 2.452 . 0 0 "[ . 1 . 2]" 1
1023 2 20 ALA HA 2 21 VAL MG1 4.900 . 4.900 3.848 3.766 3.988 . 0 0 "[ . 1 . 2]" 1
1024 2 42 GLU HB3 2 43 TRP H 5.300 . 5.300 4.174 3.849 4.365 . 0 0 "[ . 1 . 2]" 1
1025 2 42 GLU HB2 2 55 THR HB 5.500 . 5.500 4.878 4.605 5.082 . 0 0 "[ . 1 . 2]" 1
1026 2 20 ALA MB 2 21 VAL MG1 4.100 . 4.100 3.267 3.185 3.383 . 0 0 "[ . 1 . 2]" 1
1027 2 42 GLU HB3 2 55 THR MG 4.500 . 4.500 4.402 4.192 4.495 . 0 0 "[ . 1 . 2]" 1
1028 2 52 PHE H 2 52 PHE QD 4.600 . 4.600 2.810 2.716 2.896 . 0 0 "[ . 1 . 2]" 1
1029 2 5 LEU HA 2 52 PHE H 4.700 . 4.700 2.922 2.815 3.008 . 0 0 "[ . 1 . 2]" 1
1030 2 51 THR HB 2 52 PHE H 5.500 . 5.500 4.038 3.936 4.134 . 0 0 "[ . 1 . 2]" 1
1031 2 4 LYS QB 2 52 PHE H 5.500 . 5.500 3.800 3.669 3.908 . 0 0 "[ . 1 . 2]" 1
1032 2 55 THR H 2 56 GLU H 5.100 . 5.100 4.152 3.865 4.312 . 0 0 "[ . 1 . 2]" 1
1033 2 55 THR HA 2 56 GLU H 3.000 . 3.000 2.135 2.008 2.279 . 0 0 "[ . 1 . 2]" 1
1034 2 8 ASN HB2 2 56 GLU H 4.300 . 4.300 3.352 2.938 3.638 . 0 0 "[ . 1 . 2]" 1
1035 2 8 ASN HB3 2 56 GLU H 5.500 . 5.500 4.411 4.009 4.667 . 0 0 "[ . 1 . 2]" 1
1036 2 56 GLU H 2 56 GLU QG 3.900 . 3.900 3.230 2.622 4.111 0.211 17 0 "[ . 1 . 2]" 1
1037 2 56 GLU H 2 56 GLU QB 3.600 . 3.600 2.432 2.221 2.682 . 0 0 "[ . 1 . 2]" 1
1038 2 10 LYS QG 2 56 GLU H 5.500 . 5.500 5.389 4.691 5.563 0.063 2 0 "[ . 1 . 2]" 1
1039 2 55 THR MG 2 56 GLU H 3.600 . 3.600 2.566 2.344 3.000 . 0 0 "[ . 1 . 2]" 1
1040 2 40 ASP HA 2 43 TRP HE1 5.500 . 5.500 4.458 3.688 4.988 . 0 0 "[ . 1 . 2]" 1
1041 2 43 TRP HE1 2 54 VAL MG2 5.400 . 5.400 3.715 2.718 4.157 . 0 0 "[ . 1 . 2]" 1
1042 2 43 TRP HE1 2 54 VAL MG1 5.400 . 5.400 3.406 3.015 4.519 . 0 0 "[ . 1 . 2]" 1
1043 2 46 ASP H 2 53 THR H 5.500 . 5.500 5.097 4.905 5.256 . 0 0 "[ . 1 . 2]" 1
1044 2 46 ASP H 2 52 PHE HA 4.000 . 4.000 3.560 3.472 3.663 . 0 0 "[ . 1 . 2]" 1
1045 2 45 TYR HA 2 46 ASP H 3.100 . 3.100 2.136 2.119 2.167 . 0 0 "[ . 1 . 2]" 1
1046 2 46 ASP H 2 50 LYS HA 5.500 . 5.500 5.223 4.983 5.450 . 0 0 "[ . 1 . 2]" 1
1047 2 46 ASP H 2 51 THR HB 5.500 . 5.500 4.113 3.696 4.289 . 0 0 "[ . 1 . 2]" 1
1048 2 46 ASP H 2 46 ASP HB2 4.100 . 4.100 2.683 2.538 2.911 . 0 0 "[ . 1 . 2]" 1
1049 2 46 ASP H 2 51 THR MG 5.500 . 5.500 4.543 4.489 4.642 . 0 0 "[ . 1 . 2]" 1
1050 2 6 ILE H 2 7 LEU H 5.100 . 5.100 4.538 4.431 4.629 . 0 0 "[ . 1 . 2]" 1
1051 2 7 LEU H 2 16 THR H 5.300 . 5.300 4.875 4.639 5.034 . 0 0 "[ . 1 . 2]" 1
1052 2 7 LEU H 2 8 ASN H 5.200 . 5.200 4.307 4.221 4.398 . 0 0 "[ . 1 . 2]" 1
1053 2 7 LEU H 2 15 GLU HA 4.200 . 4.200 3.303 3.178 3.394 . 0 0 "[ . 1 . 2]" 1
1054 2 6 ILE HA 2 7 LEU H 3.000 . 3.000 2.362 2.289 2.415 . 0 0 "[ . 1 . 2]" 1
1055 2 7 LEU H 2 15 GLU QB 5.000 . 5.000 5.004 4.880 5.060 0.060 4 0 "[ . 1 . 2]" 1
1056 2 7 LEU H 2 7 LEU HB2 3.700 . 3.700 2.705 2.482 2.860 . 0 0 "[ . 1 . 2]" 1
1057 2 7 LEU H 2 7 LEU HB3 3.700 . 3.700 2.258 2.062 2.399 . 0 0 "[ . 1 . 2]" 1
1058 2 6 ILE MG 2 7 LEU H 3.600 . 3.600 2.886 2.762 3.140 . 0 0 "[ . 1 . 2]" 1
1059 2 7 LEU H 2 7 LEU MD1 5.200 . 5.200 4.203 4.108 4.252 . 0 0 "[ . 1 . 2]" 1
1060 2 7 LEU H 2 8 ASN HA 5.500 . 5.500 5.060 4.958 5.161 . 0 0 "[ . 1 . 2]" 1
1061 2 7 LEU H 2 15 GLU QG 5.500 . 5.500 3.671 3.550 3.800 . 0 0 "[ . 1 . 2]" 1
1062 2 6 ILE H 2 52 PHE H 5.000 . 5.000 3.947 3.749 4.084 . 0 0 "[ . 1 . 2]" 1
1063 2 6 ILE H 2 54 VAL H 4.400 . 4.400 3.858 3.711 4.082 . 0 0 "[ . 1 . 2]" 1
1064 2 43 TRP H 2 43 TRP HD1 3.800 . 3.800 2.697 2.514 2.911 . 0 0 "[ . 1 . 2]" 1
1065 2 42 GLU HA 2 43 TRP H 3.200 . 3.200 2.165 2.109 2.219 . 0 0 "[ . 1 . 2]" 1
1066 2 43 TRP H 2 43 TRP QB 3.400 . 3.400 2.385 2.324 2.525 . 0 0 "[ . 1 . 2]" 1
1067 2 6 ILE H 2 52 PHE HA 5.500 . 5.500 5.112 5.054 5.160 . 0 0 "[ . 1 . 2]" 1
1068 2 5 LEU HA 2 6 ILE H 3.200 . 3.200 2.189 2.165 2.217 . 0 0 "[ . 1 . 2]" 1
1069 2 6 ILE H 2 6 ILE HB 3.600 . 3.600 2.582 2.521 2.629 . 0 0 "[ . 1 . 2]" 1
1070 2 6 ILE H 2 6 ILE HG12 4.400 . 4.400 3.677 3.511 3.819 . 0 0 "[ . 1 . 2]" 1
1071 2 6 ILE H 2 51 THR MG 4.300 . 4.300 3.561 3.101 3.845 . 0 0 "[ . 1 . 2]" 1
1072 2 6 ILE H 2 6 ILE MD 4.300 . 4.300 3.902 3.773 4.012 . 0 0 "[ . 1 . 2]" 1
1073 2 5 LEU MD1 2 6 ILE H 4.600 . 4.600 2.808 2.540 3.125 . 0 0 "[ . 1 . 2]" 1
1074 2 5 LEU MD2 2 6 ILE H 4.600 . 4.600 2.800 2.351 3.162 . 0 0 "[ . 1 . 2]" 1
1075 2 5 LEU HB2 2 6 ILE H 5.400 . 5.400 4.416 4.312 4.528 . 0 0 "[ . 1 . 2]" 1
1076 2 3 TYR H 2 20 ALA H 4.500 . 4.500 4.109 3.919 4.417 . 0 0 "[ . 1 . 2]" 1
1077 2 19 GLU H 2 20 ALA H 5.000 . 5.000 4.111 3.898 4.384 . 0 0 "[ . 1 . 2]" 1
1078 2 20 ALA H 2 22 ASP H 5.500 . 5.500 5.458 5.254 5.564 0.064 7 0 "[ . 1 . 2]" 1
1079 2 3 TYR QD 2 20 ALA H 3.800 . 3.800 2.548 2.354 2.938 . 0 0 "[ . 1 . 2]" 1
1080 2 19 GLU HA 2 20 ALA H 2.900 . 2.900 2.071 1.985 2.163 . 0 0 "[ . 1 . 2]" 1
1081 2 1 MET HA 2 20 ALA H 5.500 . 5.500 5.171 4.677 5.572 0.072 10 0 "[ . 1 . 2]" 1
1082 2 20 ALA H 2 21 VAL HA 5.500 . 5.500 5.191 4.831 5.325 . 0 0 "[ . 1 . 2]" 1
1083 2 3 TYR HB2 2 20 ALA H 5.200 . 5.200 4.479 4.282 4.963 . 0 0 "[ . 1 . 2]" 1
1084 2 19 GLU HG2 2 20 ALA H 4.600 . 4.600 3.512 2.862 3.939 . 0 0 "[ . 1 . 2]" 1
1085 2 19 GLU HG3 2 20 ALA H 4.600 . 4.600 3.468 2.676 4.753 0.153 7 0 "[ . 1 . 2]" 1
1086 2 19 GLU QB 2 20 ALA H 4.600 . 4.600 3.782 3.064 3.915 . 0 0 "[ . 1 . 2]" 1
1087 2 20 ALA H 2 20 ALA MB 3.600 . 3.600 2.410 2.308 2.745 . 0 0 "[ . 1 . 2]" 1
1088 2 20 ALA H 2 25 THR MG 5.500 . 5.500 5.301 5.148 5.411 . 0 0 "[ . 1 . 2]" 1
1089 2 20 ALA H 2 26 ALA MB 5.500 . 5.500 3.909 3.685 4.431 . 0 0 "[ . 1 . 2]" 1
1090 2 18 THR MG 2 20 ALA H 4.900 . 4.900 3.679 3.378 4.232 . 0 0 "[ . 1 . 2]" 1
1091 2 5 LEU H 2 6 ILE HA 5.500 . 5.500 4.951 4.891 5.000 . 0 0 "[ . 1 . 2]" 1
1092 2 5 LEU H 2 5 LEU MD1 5.500 . 5.500 4.238 4.156 4.281 . 0 0 "[ . 1 . 2]" 1
1093 2 8 ASN H 2 54 VAL H 4.600 . 4.600 4.010 3.797 4.175 . 0 0 "[ . 1 . 2]" 1
1094 2 8 ASN H 2 56 GLU H 5.400 . 5.400 4.528 3.947 5.072 . 0 0 "[ . 1 . 2]" 1
1095 2 8 ASN H 2 13 LYS HA 5.500 . 5.500 4.675 4.494 4.862 . 0 0 "[ . 1 . 2]" 1
1096 2 8 ASN H 2 55 THR HA 4.300 . 4.300 3.293 3.123 3.487 . 0 0 "[ . 1 . 2]" 1
1097 2 7 LEU HA 2 8 ASN H 3.000 . 3.000 2.155 2.093 2.231 . 0 0 "[ . 1 . 2]" 1
1098 2 8 ASN H 2 9 GLY HA3 5.500 . 5.500 4.725 4.573 4.965 . 0 0 "[ . 1 . 2]" 1
1099 2 8 ASN H 2 8 ASN HB2 3.500 . 3.500 3.035 2.972 3.151 . 0 0 "[ . 1 . 2]" 1
1100 2 8 ASN H 2 8 ASN HB3 3.900 . 3.900 3.965 3.942 4.005 0.105 12 0 "[ . 1 . 2]" 1
1101 2 7 LEU HB2 2 8 ASN H 5.300 . 5.300 4.296 4.224 4.415 . 0 0 "[ . 1 . 2]" 1
1102 2 7 LEU HG 2 8 ASN H 5.000 . 5.000 3.166 3.025 3.358 . 0 0 "[ . 1 . 2]" 1
1103 2 8 ASN H 2 53 THR MG 5.000 . 5.000 4.694 4.502 4.848 . 0 0 "[ . 1 . 2]" 1
1104 2 6 ILE MG 2 8 ASN H 5.000 . 5.000 4.483 4.367 4.672 . 0 0 "[ . 1 . 2]" 1
1105 2 7 LEU MD1 2 8 ASN H 5.500 . 5.500 2.613 2.192 4.700 . 0 0 "[ . 1 . 2]" 1
1106 2 5 LEU H 2 16 THR H 3.900 . 3.900 3.033 2.933 3.099 . 0 0 "[ . 1 . 2]" 1
1107 2 4 LYS H 2 5 LEU H 5.200 . 5.200 4.487 4.461 4.506 . 0 0 "[ . 1 . 2]" 1
1108 2 5 LEU H 2 30 PHE QE 5.400 . 5.400 3.929 3.798 4.024 . 0 0 "[ . 1 . 2]" 1
1109 2 5 LEU H 2 17 THR HA 4.500 . 4.500 3.478 3.426 3.577 . 0 0 "[ . 1 . 2]" 1
1110 2 4 LYS HA 2 5 LEU H 3.400 . 3.400 2.275 2.247 2.305 . 0 0 "[ . 1 . 2]" 1
1111 2 5 LEU H 2 16 THR HB 5.500 . 5.500 5.190 5.112 5.283 . 0 0 "[ . 1 . 2]" 1
1112 2 4 LYS QB 2 5 LEU H 4.300 . 4.300 3.511 3.443 3.543 . 0 0 "[ . 1 . 2]" 1
1113 2 4 LYS QD 2 5 LEU H 5.500 . 5.500 4.370 4.218 4.425 . 0 0 "[ . 1 . 2]" 1
1114 2 4 LYS QG 2 5 LEU H 4.100 . 4.100 2.262 2.188 2.321 . 0 0 "[ . 1 . 2]" 1
1115 2 5 LEU H 2 17 THR MG 4.600 . 4.600 4.457 4.310 4.587 . 0 0 "[ . 1 . 2]" 1
1116 2 5 LEU H 2 5 LEU HB3 4.100 . 4.100 2.659 2.592 2.730 . 0 0 "[ . 1 . 2]" 1
1117 2 5 LEU H 2 5 LEU MD2 5.500 . 5.500 4.378 4.348 4.400 . 0 0 "[ . 1 . 2]" 1
1118 2 5 LEU H 2 5 LEU HB2 3.900 . 3.900 2.926 2.864 2.990 . 0 0 "[ . 1 . 2]" 1
1119 2 18 THR H 2 19 GLU H 5.100 . 5.100 4.460 4.413 4.506 . 0 0 "[ . 1 . 2]" 1
1120 2 19 GLU H 2 20 ALA HA 5.500 . 5.500 4.857 4.723 5.039 . 0 0 "[ . 1 . 2]" 1
1121 2 18 THR HA 2 19 GLU H 3.100 . 3.100 2.456 2.419 2.492 . 0 0 "[ . 1 . 2]" 1
1122 2 18 THR HB 2 19 GLU H 4.800 . 4.800 3.879 3.826 3.916 . 0 0 "[ . 1 . 2]" 1
1123 2 19 GLU H 2 19 GLU HG2 5.500 . 5.500 4.546 4.411 4.724 . 0 0 "[ . 1 . 2]" 1
1124 2 19 GLU H 2 19 GLU QB 3.200 . 3.200 2.649 2.533 2.709 . 0 0 "[ . 1 . 2]" 1
1125 2 19 GLU H 2 20 ALA MB 5.500 . 5.500 4.210 3.948 4.539 . 0 0 "[ . 1 . 2]" 1
1126 2 17 THR MG 2 19 GLU H 5.500 . 5.500 5.340 5.224 5.528 0.028 12 0 "[ . 1 . 2]" 1
1127 2 19 GLU H 2 26 ALA MB 5.500 . 5.500 5.503 5.331 5.554 0.054 6 0 "[ . 1 . 2]" 1
1128 2 18 THR MG 2 19 GLU H 4.400 . 4.400 3.161 3.028 3.260 . 0 0 "[ . 1 . 2]" 1
1129 2 43 TRP HA 2 54 VAL H 5.500 . 5.500 5.083 4.920 5.190 . 0 0 "[ . 1 . 2]" 1
1130 2 53 THR HA 2 54 VAL H 3.000 . 3.000 2.176 2.131 2.258 . 0 0 "[ . 1 . 2]" 1
1131 2 7 LEU HA 2 54 VAL H 4.400 . 4.400 3.257 3.144 3.428 . 0 0 "[ . 1 . 2]" 1
1132 2 8 ASN HB2 2 54 VAL H 5.500 . 5.500 5.271 5.121 5.429 . 0 0 "[ . 1 . 2]" 1
1133 2 6 ILE HB 2 54 VAL H 4.400 . 4.400 3.590 3.521 3.699 . 0 0 "[ . 1 . 2]" 1
1134 2 7 LEU HB2 2 54 VAL H 5.500 . 5.500 5.248 5.112 5.514 0.014 10 0 "[ . 1 . 2]" 1
1135 2 6 ILE HG13 2 54 VAL H 5.500 . 5.500 5.575 5.546 5.600 0.100 6 0 "[ . 1 . 2]" 1
1136 2 54 VAL H 2 54 VAL HB 3.700 . 3.700 2.766 2.604 3.233 . 0 0 "[ . 1 . 2]" 1
1137 2 54 VAL H 2 54 VAL MG2 4.500 . 4.500 2.890 2.685 4.048 . 0 0 "[ . 1 . 2]" 1
1138 2 54 VAL H 2 54 VAL MG1 4.500 . 4.500 3.781 2.414 3.973 . 0 0 "[ . 1 . 2]" 1
1139 2 3 TYR H 2 19 GLU H 5.500 . 5.500 4.801 4.735 4.858 . 0 0 "[ . 1 . 2]" 1
1140 2 2 GLN H 2 3 TYR H 5.400 . 5.400 4.551 4.506 4.582 . 0 0 "[ . 1 . 2]" 1
1141 2 3 TYR H 2 3 TYR QD 3.700 . 3.700 2.945 2.794 3.053 . 0 0 "[ . 1 . 2]" 1
1142 2 3 TYR H 2 17 THR HA 5.500 . 5.500 4.879 4.824 4.978 . 0 0 "[ . 1 . 2]" 1
1143 2 3 TYR H 2 19 GLU HA 3.900 . 3.900 3.138 2.981 3.236 . 0 0 "[ . 1 . 2]" 1
1144 2 2 GLN HA 2 3 TYR H 3.000 . 3.000 2.164 2.117 2.182 . 0 0 "[ . 1 . 2]" 1
1145 2 3 TYR H 2 3 TYR HB3 3.900 . 3.900 3.795 3.763 3.819 . 0 0 "[ . 1 . 2]" 1
1146 2 3 TYR H 2 3 TYR HB2 3.200 . 3.200 2.637 2.579 2.680 . 0 0 "[ . 1 . 2]" 1
1147 2 2 GLN QB 2 3 TYR H 4.600 . 4.600 3.723 3.699 3.777 . 0 0 "[ . 1 . 2]" 1
1148 2 3 TYR H 2 17 THR MG 5.000 . 5.000 3.510 3.447 3.616 . 0 0 "[ . 1 . 2]" 1
1149 2 3 TYR H 2 26 ALA MB 5.100 . 5.100 4.212 4.092 4.299 . 0 0 "[ . 1 . 2]" 1
1150 2 3 TYR H 2 18 THR MG 4.300 . 4.300 3.199 3.009 3.341 . 0 0 "[ . 1 . 2]" 1
1151 2 2 GLN HE21 2 3 TYR H 5.400 . 5.400 3.003 2.839 4.126 . 0 0 "[ . 1 . 2]" 1
1152 2 36 ASP HA 2 40 ASP H 4.300 . 4.300 3.339 2.785 4.267 . 0 0 "[ . 1 . 2]" 1
1153 2 40 ASP H 2 56 GLU QG 5.500 . 5.500 4.895 3.522 5.335 . 0 0 "[ . 1 . 2]" 1
1154 2 39 VAL HB 2 40 ASP H 4.700 . 4.700 3.501 2.269 4.537 . 0 0 "[ . 1 . 2]" 1
1155 2 46 ASP H 2 47 ASP H 4.700 . 4.700 4.376 4.244 4.540 . 0 0 "[ . 1 . 2]" 1
1156 2 47 ASP H 2 49 THR H 5.300 . 5.300 4.048 3.850 4.207 . 0 0 "[ . 1 . 2]" 1
1157 2 46 ASP HA 2 47 ASP H 2.800 . 2.800 2.302 2.214 2.439 . 0 0 "[ . 1 . 2]" 1
1158 2 47 ASP H 2 47 ASP HB2 3.300 . 3.300 2.503 2.410 3.396 0.096 11 0 "[ . 1 . 2]" 1
1159 2 47 ASP H 2 47 ASP HB3 3.300 . 3.300 2.421 2.190 2.559 . 0 0 "[ . 1 . 2]" 1
1160 2 47 ASP H 2 48 ALA MB 4.900 . 4.900 4.038 3.928 4.171 . 0 0 "[ . 1 . 2]" 1
1161 2 47 ASP H 2 49 THR MG 5.500 . 5.500 5.105 4.746 5.625 0.125 6 0 "[ . 1 . 2]" 1
1162 2 11 THR H 2 12 LEU H 3.100 . 3.100 2.335 2.042 2.737 . 0 0 "[ . 1 . 2]" 1
1163 2 12 LEU H 2 13 LYS H 5.200 . 5.200 4.414 4.278 4.565 . 0 0 "[ . 1 . 2]" 1
1164 2 11 THR HB 2 12 LEU H 3.800 . 3.800 3.081 2.116 3.843 0.043 19 0 "[ . 1 . 2]" 1
1165 2 10 LYS QB 2 12 LEU H 5.500 . 5.500 4.818 4.458 5.285 . 0 0 "[ . 1 . 2]" 1
1166 2 12 LEU H 2 13 LYS QG 4.800 . 4.800 4.203 3.948 4.618 . 0 0 "[ . 1 . 2]" 1
1167 2 12 LEU H 2 12 LEU QB 3.400 . 3.400 2.677 2.429 2.918 . 0 0 "[ . 1 . 2]" 1
1168 2 26 ALA H 2 29 VAL H 5.400 . 5.400 4.793 4.738 4.844 . 0 0 "[ . 1 . 2]" 1
1169 2 25 THR H 2 26 ALA H 3.200 . 3.200 2.661 2.475 2.830 . 0 0 "[ . 1 . 2]" 1
1170 2 22 ASP HA 2 26 ALA H 5.500 . 5.500 5.115 5.044 5.177 . 0 0 "[ . 1 . 2]" 1
1171 2 25 THR HB 2 26 ALA H 3.400 . 3.400 2.572 2.433 2.800 . 0 0 "[ . 1 . 2]" 1
1172 2 26 ALA H 2 28 LYS QB 5.400 . 5.400 4.861 4.773 4.907 . 0 0 "[ . 1 . 2]" 1
1173 2 20 ALA MB 2 26 ALA H 3.600 . 3.600 2.372 2.215 2.566 . 0 0 "[ . 1 . 2]" 1
1174 2 26 ALA H 2 26 ALA MB 3.300 . 3.300 2.235 2.217 2.253 . 0 0 "[ . 1 . 2]" 1
1175 2 18 THR MG 2 26 ALA H 5.500 . 5.500 4.477 4.328 4.650 . 0 0 "[ . 1 . 2]" 1
1176 2 53 THR MG 2 55 THR H 5.000 . 5.000 4.581 4.448 4.814 . 0 0 "[ . 1 . 2]" 1
1177 2 43 TRP HA 2 55 THR H 5.100 . 5.100 4.262 3.977 4.510 . 0 0 "[ . 1 . 2]" 1
1178 2 54 VAL HA 2 55 THR H 2.900 . 2.900 2.303 2.242 2.398 . 0 0 "[ . 1 . 2]" 1
1179 2 55 THR H 2 55 THR HB 3.400 . 3.400 3.065 3.001 3.135 . 0 0 "[ . 1 . 2]" 1
1180 2 41 GLY HA3 2 55 THR H 5.300 . 5.300 3.160 2.538 3.941 . 0 0 "[ . 1 . 2]" 1
1181 2 55 THR H 2 55 THR MG 4.500 . 4.500 4.052 4.022 4.078 . 0 0 "[ . 1 . 2]" 1
1182 2 54 VAL HB 2 55 THR H 5.200 . 5.200 4.003 3.819 4.120 . 0 0 "[ . 1 . 2]" 1
1183 2 54 VAL MG2 2 55 THR H 5.000 . 5.000 3.859 2.146 4.169 . 0 0 "[ . 1 . 2]" 1
1184 2 54 VAL MG1 2 55 THR H 5.000 . 5.000 2.525 2.262 3.651 . 0 0 "[ . 1 . 2]" 1
1185 2 2 GLN H 2 2 GLN HE21 5.500 . 5.500 5.076 4.802 5.366 . 0 0 "[ . 1 . 2]" 1
1186 2 1 MET HA 2 2 GLN H 2.800 . 2.800 2.297 2.211 2.637 . 0 0 "[ . 1 . 2]" 1
1187 2 1 MET HG3 2 2 GLN H 3.500 . 3.500 2.748 2.306 3.540 0.040 5 0 "[ . 1 . 2]" 1
1188 2 2 GLN H 2 2 GLN QB 3.000 . 3.000 2.287 2.256 2.329 . 0 0 "[ . 1 . 2]" 1
1189 2 50 LYS H 2 51 THR H 3.600 . 3.600 2.975 2.551 3.233 . 0 0 "[ . 1 . 2]" 1
1190 2 49 THR HA 2 50 LYS H 3.500 . 3.500 3.196 3.088 3.389 . 0 0 "[ . 1 . 2]" 1
1191 2 50 LYS H 2 50 LYS HA 2.900 . 2.900 2.261 2.219 2.318 . 0 0 "[ . 1 . 2]" 1
1192 2 50 LYS H 2 51 THR HB 5.500 . 5.500 5.130 4.771 5.399 . 0 0 "[ . 1 . 2]" 1
1193 2 46 ASP HB2 2 50 LYS H 5.500 . 5.500 5.505 5.387 5.671 0.171 15 0 "[ . 1 . 2]" 1
1194 2 46 ASP HB3 2 50 LYS H 5.500 . 5.500 4.819 3.935 5.462 . 0 0 "[ . 1 . 2]" 1
1195 2 50 LYS H 2 50 LYS HD2 3.900 . 3.900 3.805 2.104 4.052 0.152 18 0 "[ . 1 . 2]" 1
1196 2 50 LYS H 2 50 LYS HD3 3.900 . 3.900 2.643 2.372 3.656 . 0 0 "[ . 1 . 2]" 1
1197 2 49 THR MG 2 50 LYS H 4.400 . 4.400 3.838 3.492 4.387 . 0 0 "[ . 1 . 2]" 1
1198 2 2 GLN H 2 19 GLU HA 5.500 . 5.500 4.707 4.587 4.843 . 0 0 "[ . 1 . 2]" 1
1199 2 4 LYS H 2 52 PHE QD 5.400 . 5.400 3.375 3.194 3.488 . 0 0 "[ . 1 . 2]" 1
1200 2 4 LYS H 2 50 LYS HA 5.500 . 5.500 5.153 4.882 5.380 . 0 0 "[ . 1 . 2]" 1
1201 2 4 LYS H 2 51 THR MG 4.900 . 4.900 3.968 3.823 4.141 . 0 0 "[ . 1 . 2]" 1
1202 2 4 LYS H 2 52 PHE H 4.700 . 4.700 3.764 3.639 3.889 . 0 0 "[ . 1 . 2]" 1
1203 2 3 TYR QD 2 4 LYS H 4.300 . 4.300 3.754 3.667 3.866 . 0 0 "[ . 1 . 2]" 1
1204 2 4 LYS H 2 17 THR HA 5.500 . 5.500 4.842 4.802 4.886 . 0 0 "[ . 1 . 2]" 1
1205 2 4 LYS H 2 51 THR HA 3.300 . 3.300 2.553 2.474 2.614 . 0 0 "[ . 1 . 2]" 1
1206 2 3 TYR HA 2 4 LYS H 3.200 . 3.200 2.386 2.351 2.451 . 0 0 "[ . 1 . 2]" 1
1207 2 4 LYS H 2 51 THR HB 5.500 . 5.500 5.415 5.322 5.546 0.046 6 0 "[ . 1 . 2]" 1
1208 2 3 TYR HB3 2 4 LYS H 3.500 . 3.500 2.587 2.488 2.676 . 0 0 "[ . 1 . 2]" 1
1209 2 3 TYR HB2 2 4 LYS H 4.100 . 4.100 3.789 3.709 3.873 . 0 0 "[ . 1 . 2]" 1
1210 2 4 LYS H 2 4 LYS QB 3.400 . 3.400 2.523 2.478 2.589 . 0 0 "[ . 1 . 2]" 1
1211 2 4 LYS H 2 4 LYS QD 5.500 . 5.500 4.769 4.703 5.198 . 0 0 "[ . 1 . 2]" 1
1212 2 4 LYS H 2 4 LYS QG 4.700 . 4.700 4.133 4.104 4.185 . 0 0 "[ . 1 . 2]" 1
1213 2 4 LYS H 2 17 THR MG 5.000 . 5.000 4.402 4.247 4.512 . 0 0 "[ . 1 . 2]" 1
1214 2 4 LYS H 2 26 ALA MB 5.500 . 5.500 4.613 4.447 4.718 . 0 0 "[ . 1 . 2]" 1
1215 2 45 TYR H 2 52 PHE QD 5.500 . 5.500 5.155 4.973 5.320 . 0 0 "[ . 1 . 2]" 1
1216 2 44 THR HA 2 45 TYR H 2.900 . 2.900 2.446 2.399 2.503 . 0 0 "[ . 1 . 2]" 1
1217 2 45 TYR H 2 46 ASP HA 5.500 . 5.500 4.969 4.908 5.067 . 0 0 "[ . 1 . 2]" 1
1218 2 45 TYR H 2 45 TYR HB2 3.900 . 3.900 3.295 3.232 3.370 . 0 0 "[ . 1 . 2]" 1
1219 2 45 TYR H 2 45 TYR HB3 3.900 . 3.900 2.676 2.579 2.732 . 0 0 "[ . 1 . 2]" 1
1220 2 44 THR MG 2 45 TYR H 3.700 . 3.700 2.324 2.243 2.413 . 0 0 "[ . 1 . 2]" 1
1221 2 45 TYR H 2 46 ASP H 5.100 . 5.100 4.272 4.225 4.336 . 0 0 "[ . 1 . 2]" 1
1222 2 45 TYR H 2 52 PHE HA 5.500 . 5.500 4.751 4.655 4.814 . 0 0 "[ . 1 . 2]" 1
1223 2 23 ALA H 2 24 ALA H 3.400 . 3.400 3.067 2.967 3.144 . 0 0 "[ . 1 . 2]" 1
1224 2 23 ALA H 2 26 ALA H 5.500 . 5.500 4.843 4.752 4.877 . 0 0 "[ . 1 . 2]" 1
1225 2 22 ASP HA 2 23 ALA H 3.100 . 3.100 2.189 2.089 2.304 . 0 0 "[ . 1 . 2]" 1
1226 2 23 ALA H 2 24 ALA HA 5.500 . 5.500 5.632 5.577 5.669 0.169 14 0 "[ . 1 . 2]" 1
1227 2 22 ASP QB 2 23 ALA H 2.900 . 2.900 2.983 2.386 3.176 0.276 7 0 "[ . 1 . 2]" 1
1228 2 23 ALA H 2 24 ALA MB 5.200 . 5.200 4.682 4.529 4.775 . 0 0 "[ . 1 . 2]" 1
1229 2 23 ALA H 2 23 ALA MB 2.900 . 2.900 2.290 2.250 2.334 . 0 0 "[ . 1 . 2]" 1
1230 2 23 ALA H 2 26 ALA MB 5.200 . 5.200 4.560 4.337 4.709 . 0 0 "[ . 1 . 2]" 1
1231 2 42 GLU H 2 43 TRP H 5.200 . 5.200 4.552 4.465 4.619 . 0 0 "[ . 1 . 2]" 1
1232 2 42 GLU H 2 56 GLU H 5.500 . 5.500 5.055 4.932 5.296 . 0 0 "[ . 1 . 2]" 1
1233 2 42 GLU H 2 43 TRP HD1 5.500 . 5.500 5.083 4.808 5.364 . 0 0 "[ . 1 . 2]" 1
1234 2 42 GLU H 2 54 VAL HA 5.300 . 5.300 4.836 4.583 5.210 . 0 0 "[ . 1 . 2]" 1
1235 2 41 GLY HA2 2 42 GLU H 3.200 . 3.200 2.478 2.268 2.838 . 0 0 "[ . 1 . 2]" 1
1236 2 42 GLU H 2 55 THR HB 4.300 . 4.300 4.101 3.873 4.325 0.025 11 0 "[ . 1 . 2]" 1
1237 2 41 GLY HA3 2 42 GLU H 3.400 . 3.400 2.523 2.172 2.755 . 0 0 "[ . 1 . 2]" 1
1238 2 42 GLU H 2 42 GLU HG3 5.500 . 5.500 4.526 4.502 4.580 . 0 0 "[ . 1 . 2]" 1
1239 2 42 GLU H 2 42 GLU HB3 4.200 . 4.200 2.497 2.452 2.520 . 0 0 "[ . 1 . 2]" 1
1240 2 42 GLU H 2 55 THR MG 5.100 . 5.100 4.604 4.411 4.754 . 0 0 "[ . 1 . 2]" 1
1241 2 24 ALA H 2 25 THR H 3.200 . 3.200 2.581 2.527 2.641 . 0 0 "[ . 1 . 2]" 1
1242 2 24 ALA H 2 26 ALA H 5.000 . 5.000 4.212 4.085 4.315 . 0 0 "[ . 1 . 2]" 1
1243 2 22 ASP H 2 24 ALA H 5.100 . 5.100 4.359 4.184 4.551 . 0 0 "[ . 1 . 2]" 1
1244 2 24 ALA H 2 28 LYS H 5.500 . 5.500 5.813 5.762 5.855 0.355 1 0 "[ . 1 . 2]" 1
1245 2 22 ASP HA 2 24 ALA H 5.000 . 5.000 4.330 4.147 4.427 . 0 0 "[ . 1 . 2]" 1
1246 2 24 ALA H 2 25 THR HA 5.500 . 5.500 5.240 5.194 5.309 . 0 0 "[ . 1 . 2]" 1
1247 2 22 ASP QB 2 24 ALA H 3.900 . 3.900 2.765 2.372 2.986 . 0 0 "[ . 1 . 2]" 1
1248 2 24 ALA H 2 24 ALA MB 2.800 . 2.800 2.224 2.191 2.250 . 0 0 "[ . 1 . 2]" 1
1249 2 23 ALA MB 2 24 ALA H 3.700 . 3.700 2.856 2.787 2.923 . 0 0 "[ . 1 . 2]" 1
1250 2 24 ALA H 2 26 ALA MB 5.500 . 5.500 4.725 4.576 4.927 . 0 0 "[ . 1 . 2]" 1
1251 2 29 VAL H 2 31 LYS H 5.300 . 5.300 4.254 4.190 4.351 . 0 0 "[ . 1 . 2]" 1
1252 2 29 VAL H 2 30 PHE H 3.700 . 3.700 3.030 2.947 3.120 . 0 0 "[ . 1 . 2]" 1
1253 2 28 LYS H 2 29 VAL H 3.500 . 3.500 2.769 2.721 2.831 . 0 0 "[ . 1 . 2]" 1
1254 2 29 VAL H 2 30 PHE QD 5.500 . 5.500 5.422 5.340 5.510 0.010 11 0 "[ . 1 . 2]" 1
1255 2 29 VAL H 2 30 PHE HA 5.500 . 5.500 5.531 5.497 5.570 0.070 14 0 "[ . 1 . 2]" 1
1256 2 25 THR HB 2 29 VAL H 5.500 . 5.500 5.580 5.526 5.648 0.148 3 0 "[ . 1 . 2]" 1
1257 2 29 VAL H 2 30 PHE HB2 5.500 . 5.500 5.187 5.087 5.290 . 0 0 "[ . 1 . 2]" 1
1258 2 26 ALA HA 2 29 VAL H 4.200 . 4.200 3.440 3.349 3.549 . 0 0 "[ . 1 . 2]" 1
1259 2 27 GLU HA 2 29 VAL H 5.200 . 5.200 4.758 4.512 4.899 . 0 0 "[ . 1 . 2]" 1
1260 2 29 VAL H 2 32 GLN HB2 5.200 . 5.200 4.970 4.878 5.118 . 0 0 "[ . 1 . 2]" 1
1261 2 29 VAL H 2 29 VAL HB 3.000 . 3.000 2.496 2.442 2.536 . 0 0 "[ . 1 . 2]" 1
1262 2 27 GLU QB 2 29 VAL H 5.500 . 5.500 5.163 4.935 5.510 0.010 12 0 "[ . 1 . 2]" 1
1263 2 29 VAL H 2 31 LYS QB 5.500 . 5.500 5.242 5.141 5.374 . 0 0 "[ . 1 . 2]" 1
1264 2 28 LYS HG2 2 29 VAL H 5.500 . 5.500 3.761 3.274 4.591 . 0 0 "[ . 1 . 2]" 1
1265 2 25 THR MG 2 29 VAL H 5.500 . 5.500 3.866 3.720 3.993 . 0 0 "[ . 1 . 2]" 1
1266 2 28 LYS HG3 2 29 VAL H 5.500 . 5.500 4.759 4.402 4.926 . 0 0 "[ . 1 . 2]" 1
1267 2 29 VAL H 2 29 VAL MG2 4.500 . 4.500 2.170 2.081 2.296 . 0 0 "[ . 1 . 2]" 1
1268 2 29 VAL H 2 29 VAL MG1 4.500 . 4.500 3.804 3.760 3.833 . 0 0 "[ . 1 . 2]" 1
1269 2 18 THR MG 2 29 VAL H 5.500 . 5.500 4.685 4.511 4.929 . 0 0 "[ . 1 . 2]" 1
1270 2 15 GLU H 2 16 THR H 5.100 . 5.100 4.247 4.143 4.291 . 0 0 "[ . 1 . 2]" 1
1271 2 14 GLY HA2 2 15 GLU H 3.400 . 3.400 2.562 2.491 2.611 . 0 0 "[ . 1 . 2]" 1
1272 2 14 GLY HA3 2 15 GLU H 3.400 . 3.400 2.389 2.344 2.438 . 0 0 "[ . 1 . 2]" 1
1273 2 15 GLU H 2 15 GLU QG 4.500 . 4.500 3.339 3.270 3.422 . 0 0 "[ . 1 . 2]" 1
1274 2 15 GLU H 2 15 GLU QB 3.600 . 3.600 2.804 2.743 2.898 . 0 0 "[ . 1 . 2]" 1
1275 2 7 LEU HB2 2 15 GLU H 5.500 . 5.500 5.546 5.503 5.572 0.072 20 0 "[ . 1 . 2]" 1
1276 1 16 THR MG 2 15 GLU H 4.400 . 4.400 3.163 3.009 3.338 . 0 0 "[ . 1 . 2]" 1
1277 1 15 GLU H 2 16 THR MG 4.400 . 4.400 3.145 2.888 3.294 . 0 0 "[ . 1 . 2]" 1
1278 2 47 ASP H 2 48 ALA H 3.500 . 3.500 2.503 2.384 2.631 . 0 0 "[ . 1 . 2]" 1
1279 2 48 ALA H 2 50 LYS H 4.400 . 4.400 4.147 3.065 4.401 0.001 11 0 "[ . 1 . 2]" 1
1280 2 48 ALA H 2 51 THR H 5.500 . 5.500 5.660 4.787 5.874 0.374 15 0 "[ . 1 . 2]" 1
1281 2 46 ASP HA 2 48 ALA H 4.200 . 4.200 4.063 3.735 4.191 . 0 0 "[ . 1 . 2]" 1
1282 2 48 ALA H 2 48 ALA MB 2.800 . 2.800 2.207 2.121 2.577 . 0 0 "[ . 1 . 2]" 1
1283 2 48 ALA H 2 49 THR MG 4.900 . 4.900 4.368 3.684 4.687 . 0 0 "[ . 1 . 2]" 1
1284 2 39 VAL H 2 40 ASP H 4.200 . 4.200 2.505 1.907 3.360 . 0 0 "[ . 1 . 2]" 1
1285 2 38 GLY H 2 39 VAL H 3.800 . 3.800 2.276 1.750 2.891 0.050 16 0 "[ . 1 . 2]" 1
1286 2 36 ASP HA 2 39 VAL H 5.100 . 5.100 4.295 3.372 5.098 . 0 0 "[ . 1 . 2]" 1
1287 2 39 VAL H 2 40 ASP HA 5.500 . 5.500 4.711 4.164 5.430 . 0 0 "[ . 1 . 2]" 1
1288 2 39 VAL H 2 56 GLU QG 5.500 . 5.500 5.216 4.087 5.570 0.070 10 0 "[ . 1 . 2]" 1
1289 2 39 VAL H 2 39 VAL HB 4.000 . 4.000 3.062 2.508 3.918 . 0 0 "[ . 1 . 2]" 1
1290 2 10 LYS H 2 56 GLU H 5.500 . 5.500 5.439 5.053 5.597 0.097 3 0 "[ . 1 . 2]" 1
1291 2 10 LYS H 2 12 LEU H 4.400 . 4.400 3.792 3.305 4.214 . 0 0 "[ . 1 . 2]" 1
1292 2 9 GLY HA2 2 10 LYS H 3.400 . 3.400 2.493 2.357 2.590 . 0 0 "[ . 1 . 2]" 1
1293 2 9 GLY HA3 2 10 LYS H 3.400 . 3.400 2.525 2.400 2.688 . 0 0 "[ . 1 . 2]" 1
1294 2 10 LYS H 2 10 LYS QB 3.300 . 3.300 2.447 2.369 2.519 . 0 0 "[ . 1 . 2]" 1
1295 2 10 LYS H 2 10 LYS QD 5.000 . 5.000 3.908 3.301 4.607 . 0 0 "[ . 1 . 2]" 1
1296 2 10 LYS H 2 10 LYS QG 3.900 . 3.900 2.488 2.188 2.803 . 0 0 "[ . 1 . 2]" 1
1297 2 10 LYS H 2 11 THR MG 5.500 . 5.500 4.943 4.145 5.603 0.103 3 0 "[ . 1 . 2]" 1
1298 2 10 LYS H 2 10 LYS QE 5.500 . 5.500 4.527 3.639 5.219 . 0 0 "[ . 1 . 2]" 1
1299 2 34 PHE QD 2 35 ASN H 5.500 . 5.500 4.926 4.787 5.125 . 0 0 "[ . 1 . 2]" 1
1300 2 35 ASN H 2 35 ASN QB 3.800 . 3.800 2.217 1.985 2.702 . 0 0 "[ . 1 . 2]" 1
1301 1 17 THR H 2 13 LYS H . . 3.500 2.988 2.895 3.119 . 0 0 "[ . 1 . 2]" 1
1302 1 13 LYS H 2 17 THR H . . 3.500 2.780 2.658 2.884 . 0 0 "[ . 1 . 2]" 1
1303 2 13 LYS H 2 14 GLY H 4.900 . 4.900 4.497 4.472 4.515 . 0 0 "[ . 1 . 2]" 1
1304 1 30 PHE QE 2 13 LYS H 5.500 . 5.500 5.095 4.818 5.313 . 0 0 "[ . 1 . 2]" 1
1305 1 13 LYS H 2 30 PHE QE 5.500 . 5.500 5.120 4.756 5.463 . 0 0 "[ . 1 . 2]" 1
1306 1 16 THR HA 2 13 LYS H 5.100 . 5.100 4.766 4.661 4.877 . 0 0 "[ . 1 . 2]" 1
1307 1 13 LYS H 2 16 THR HA 5.500 . 5.500 4.665 4.563 4.797 . 0 0 "[ . 1 . 2]" 1
1308 2 12 LEU HA 2 13 LYS H 3.000 . 3.000 2.206 2.133 2.298 . 0 0 "[ . 1 . 2]" 1
1309 1 18 THR HA 2 13 LYS H 4.200 . 4.200 3.933 3.804 4.053 . 0 0 "[ . 1 . 2]" 1
1310 1 13 LYS H 2 18 THR HA 4.500 . 4.500 4.025 3.868 4.163 . 0 0 "[ . 1 . 2]" 1
1311 1 16 THR HB 2 13 LYS H 4.900 . 4.900 3.910 3.807 4.030 . 0 0 "[ . 1 . 2]" 1
1312 1 13 LYS H 2 16 THR HB 5.200 . 5.200 3.773 3.659 3.958 . 0 0 "[ . 1 . 2]" 1
1313 1 18 THR HB 2 13 LYS H 4.900 . 4.900 4.319 3.755 4.561 . 0 0 "[ . 1 . 2]" 1
1314 1 13 LYS H 2 18 THR HB 5.300 . 5.300 4.511 4.361 4.654 . 0 0 "[ . 1 . 2]" 1
1315 2 13 LYS H 2 13 LYS HB3 4.100 . 4.100 3.831 3.730 3.898 . 0 0 "[ . 1 . 2]" 1
1316 2 13 LYS H 2 13 LYS HB2 3.300 . 3.300 2.719 2.595 2.845 . 0 0 "[ . 1 . 2]" 1
1317 2 13 LYS H 2 13 LYS QG 3.900 . 3.900 3.115 2.937 3.383 . 0 0 "[ . 1 . 2]" 1
1318 2 12 LEU HG 2 13 LYS H 3.500 . 3.500 2.510 2.299 2.626 . 0 0 "[ . 1 . 2]" 1
1319 2 30 PHE H 2 32 GLN H 5.300 . 5.300 4.271 4.197 4.348 . 0 0 "[ . 1 . 2]" 1
1320 2 32 GLN H 2 32 GLN HE22 5.500 . 5.500 5.037 3.933 5.667 0.167 19 0 "[ . 1 . 2]" 1
1321 2 32 GLN H 2 32 GLN HE21 5.500 . 5.500 3.852 2.710 5.056 . 0 0 "[ . 1 . 2]" 1
1322 2 32 GLN H 2 43 TRP HH2 5.500 . 5.500 5.462 5.319 5.522 0.022 13 0 "[ . 1 . 2]" 1
1323 2 31 LYS H 2 32 GLN H 3.800 . 3.800 2.537 2.476 2.652 . 0 0 "[ . 1 . 2]" 1
1324 2 32 GLN H 2 34 PHE H 5.000 . 5.000 4.083 3.860 4.350 . 0 0 "[ . 1 . 2]" 1
1325 2 32 GLN H 2 33 TYR H 3.600 . 3.600 2.689 2.552 2.811 . 0 0 "[ . 1 . 2]" 1
1326 2 32 GLN H 2 33 TYR QD 5.500 . 5.500 4.153 3.914 4.411 . 0 0 "[ . 1 . 2]" 1
1327 2 30 PHE HA 2 32 GLN H 5.500 . 5.500 4.140 3.851 4.301 . 0 0 "[ . 1 . 2]" 1
1328 2 29 VAL HA 2 32 GLN H 4.500 . 4.500 3.402 3.328 3.543 . 0 0 "[ . 1 . 2]" 1
1329 2 30 PHE HB3 2 32 GLN H 5.500 . 5.500 5.523 5.357 5.604 0.104 19 0 "[ . 1 . 2]" 1
1330 2 32 GLN H 2 32 GLN HB3 3.500 . 3.500 3.214 2.556 3.515 0.015 3 0 "[ . 1 . 2]" 1
1331 2 29 VAL HB 2 32 GLN H 5.500 . 5.500 5.485 5.441 5.533 0.033 10 0 "[ . 1 . 2]" 1
1332 2 31 LYS QB 2 32 GLN H 4.100 . 4.100 3.145 2.938 3.226 . 0 0 "[ . 1 . 2]" 1
1333 2 29 VAL MG2 2 32 GLN H 5.500 . 5.500 5.174 5.114 5.301 . 0 0 "[ . 1 . 2]" 1
1334 2 29 VAL MG1 2 32 GLN H 5.500 . 5.500 4.575 4.488 4.701 . 0 0 "[ . 1 . 2]" 1
1335 2 30 PHE H 2 31 LYS H 4.000 . 4.000 3.001 2.929 3.063 . 0 0 "[ . 1 . 2]" 1
1336 2 31 LYS H 2 33 TYR H 5.400 . 5.400 4.308 4.127 4.463 . 0 0 "[ . 1 . 2]" 1
1337 2 28 LYS H 2 31 LYS H 5.500 . 5.500 4.694 4.633 4.784 . 0 0 "[ . 1 . 2]" 1
1338 2 31 LYS H 2 43 TRP HH2 4.800 . 4.800 3.784 3.473 3.954 . 0 0 "[ . 1 . 2]" 1
1339 2 31 LYS H 2 43 TRP HZ3 5.500 . 5.500 4.640 4.399 5.059 . 0 0 "[ . 1 . 2]" 1
1340 2 28 LYS HA 2 31 LYS H 4.500 . 4.500 3.552 3.394 3.713 . 0 0 "[ . 1 . 2]" 1
1341 2 30 PHE HB2 2 31 LYS H 4.700 . 4.700 2.884 2.759 2.978 . 0 0 "[ . 1 . 2]" 1
1342 2 30 PHE HB3 2 31 LYS H 4.100 . 4.100 3.812 3.739 3.899 . 0 0 "[ . 1 . 2]" 1
1343 2 31 LYS H 2 32 GLN HB2 5.000 . 5.000 4.431 4.343 4.615 . 0 0 "[ . 1 . 2]" 1
1344 2 31 LYS H 2 31 LYS QB 3.500 . 3.500 2.369 2.254 2.427 . 0 0 "[ . 1 . 2]" 1
1345 2 30 PHE H 2 30 PHE QD 4.300 . 4.300 3.196 3.125 3.245 . 0 0 "[ . 1 . 2]" 1
1346 2 30 PHE H 2 30 PHE HB2 4.000 . 4.000 2.659 2.550 2.767 . 0 0 "[ . 1 . 2]" 1
1347 2 26 ALA HA 2 30 PHE H 5.300 . 5.300 3.850 3.729 3.917 . 0 0 "[ . 1 . 2]" 1
1348 2 27 GLU HA 2 30 PHE H 4.700 . 4.700 3.713 3.385 3.928 . 0 0 "[ . 1 . 2]" 1
1349 2 30 PHE H 2 32 GLN HB2 5.500 . 5.500 5.203 4.978 5.566 0.066 14 0 "[ . 1 . 2]" 1
1350 2 29 VAL HB 2 30 PHE H 3.500 . 3.500 2.406 2.292 2.520 . 0 0 "[ . 1 . 2]" 1
1351 2 29 VAL MG1 2 30 PHE H 4.600 . 4.600 3.051 2.889 3.199 . 0 0 "[ . 1 . 2]" 1
1352 2 18 THR MG 2 30 PHE H 5.000 . 5.000 3.818 3.628 4.059 . 0 0 "[ . 1 . 2]" 1
1353 2 30 PHE H 2 33 TYR H 5.500 . 5.500 5.087 4.861 5.329 . 0 0 "[ . 1 . 2]" 1
1354 2 37 ASN H 2 40 ASP H 5.500 . 5.500 4.891 4.393 5.252 . 0 0 "[ . 1 . 2]" 1
1355 2 52 PHE H 2 53 THR H 5.400 . 5.400 4.370 4.326 4.423 . 0 0 "[ . 1 . 2]" 1
1356 2 45 TYR H 2 53 THR H 5.000 . 5.000 4.800 4.674 4.896 . 0 0 "[ . 1 . 2]" 1
1357 2 53 THR H 2 54 VAL H 5.100 . 5.100 4.353 4.273 4.428 . 0 0 "[ . 1 . 2]" 1
1358 2 52 PHE QD 2 53 THR H 4.900 . 4.900 3.895 3.794 4.031 . 0 0 "[ . 1 . 2]" 1
1359 2 52 PHE HA 2 53 THR H 3.100 . 3.100 2.275 2.236 2.294 . 0 0 "[ . 1 . 2]" 1
1360 2 43 TRP HA 2 53 THR H 5.500 . 5.500 4.564 4.364 4.740 . 0 0 "[ . 1 . 2]" 1
1361 2 44 THR HA 2 53 THR H 5.200 . 5.200 4.712 4.599 4.772 . 0 0 "[ . 1 . 2]" 1
1362 2 44 THR HB 2 53 THR H 4.900 . 4.900 3.196 2.856 3.426 . 0 0 "[ . 1 . 2]" 1
1363 2 53 THR H 2 53 THR HB 3.400 . 3.400 2.815 2.748 2.869 . 0 0 "[ . 1 . 2]" 1
1364 2 6 ILE HB 2 53 THR H 5.500 . 5.500 5.125 5.045 5.172 . 0 0 "[ . 1 . 2]" 1
1365 2 44 THR MG 2 53 THR H 4.800 . 4.800 4.295 4.164 4.406 . 0 0 "[ . 1 . 2]" 1
1366 2 53 THR H 2 53 THR MG 4.700 . 4.700 3.985 3.957 4.004 . 0 0 "[ . 1 . 2]" 1
1367 2 6 ILE MD 2 53 THR H 5.500 . 5.500 5.513 5.462 5.529 0.029 7 0 "[ . 1 . 2]" 1
1368 2 30 PHE H 2 43 TRP HZ3 5.500 . 5.500 5.351 5.192 5.541 0.041 19 0 "[ . 1 . 2]" 1
1369 2 30 PHE H 2 31 LYS QB 5.300 . 5.300 5.026 4.880 5.152 . 0 0 "[ . 1 . 2]" 1
1370 2 28 LYS H 2 30 PHE H 5.000 . 5.000 4.423 4.367 4.478 . 0 0 "[ . 1 . 2]" 1
1371 2 29 VAL MG2 2 30 PHE H 4.600 . 4.600 3.899 3.828 3.974 . 0 0 "[ . 1 . 2]" 1
1372 2 26 ALA H 2 28 LYS H 4.800 . 4.800 4.126 4.052 4.178 . 0 0 "[ . 1 . 2]" 1
1373 2 5 LEU HA 2 16 THR H 5.500 . 5.500 4.742 4.713 4.770 . 0 0 "[ . 1 . 2]" 1
1374 2 22 ASP H 2 25 THR H 4.200 . 4.200 3.126 2.997 3.282 . 0 0 "[ . 1 . 2]" 1
1375 2 25 THR H 2 25 THR HB 3.100 . 3.100 2.470 2.383 2.588 . 0 0 "[ . 1 . 2]" 1
1376 2 24 ALA MB 2 25 THR H 3.100 . 3.100 2.776 2.621 2.944 . 0 0 "[ . 1 . 2]" 1
1377 2 27 GLU H 2 29 VAL H 5.100 . 5.100 4.177 4.047 4.280 . 0 0 "[ . 1 . 2]" 1
1378 2 27 GLU H 2 28 LYS H 3.400 . 3.400 2.491 2.341 2.675 . 0 0 "[ . 1 . 2]" 1
1379 2 27 GLU H 2 30 PHE QD 5.400 . 5.400 4.439 4.314 4.534 . 0 0 "[ . 1 . 2]" 1
1380 2 27 GLU H 2 30 PHE HB2 5.500 . 5.500 5.229 5.111 5.322 . 0 0 "[ . 1 . 2]" 1
1381 2 23 ALA HA 2 27 GLU H 3.900 . 3.900 3.934 3.690 4.011 0.111 13 0 "[ . 1 . 2]" 1
1382 2 26 ALA MB 2 27 GLU H 3.500 . 3.500 2.563 2.451 2.635 . 0 0 "[ . 1 . 2]" 1
1383 2 18 THR MG 2 27 GLU H 5.500 . 5.500 5.039 4.829 5.170 . 0 0 "[ . 1 . 2]" 1
1384 2 28 LYS H 2 30 PHE QD 5.500 . 5.500 5.539 5.507 5.571 0.071 8 0 "[ . 1 . 2]" 1
1385 2 26 ALA HA 2 28 LYS H 5.200 . 5.200 4.248 4.163 4.375 . 0 0 "[ . 1 . 2]" 1
1386 2 28 LYS H 2 28 LYS QB 2.900 . 2.900 2.249 2.170 2.283 . 0 0 "[ . 1 . 2]" 1
1387 2 26 ALA MB 2 28 LYS H 4.900 . 4.900 4.455 4.397 4.521 . 0 0 "[ . 1 . 2]" 1
1388 2 44 THR H 2 53 THR HB 5.100 . 5.100 3.918 3.712 4.202 . 0 0 "[ . 1 . 2]" 1
1389 2 44 THR H 2 45 TYR H 5.200 . 5.200 4.442 4.369 4.526 . 0 0 "[ . 1 . 2]" 1
1390 2 44 THR H 2 54 VAL H 5.500 . 5.500 5.141 5.023 5.238 . 0 0 "[ . 1 . 2]" 1
1391 2 44 THR H 2 52 PHE QD 5.500 . 5.500 4.274 3.997 4.579 . 0 0 "[ . 1 . 2]" 1
1392 2 43 TRP HE3 2 44 THR H 5.500 . 5.500 4.036 3.854 4.236 . 0 0 "[ . 1 . 2]" 1
1393 2 43 TRP HA 2 44 THR H 3.000 . 3.000 2.218 2.169 2.294 . 0 0 "[ . 1 . 2]" 1
1394 2 44 THR H 2 54 VAL HA 4.200 . 4.200 3.860 3.616 4.046 . 0 0 "[ . 1 . 2]" 1
1395 2 44 THR H 2 44 THR HB 4.000 . 4.000 2.881 2.741 3.093 . 0 0 "[ . 1 . 2]" 1
1396 2 43 TRP QB 2 44 THR H 3.800 . 3.800 2.895 2.826 2.988 . 0 0 "[ . 1 . 2]" 1
1397 2 44 THR H 2 53 THR MG 5.500 . 5.500 4.724 4.543 4.967 . 0 0 "[ . 1 . 2]" 1
1398 2 16 THR H 2 17 THR H 5.400 . 5.400 4.529 4.495 4.579 . 0 0 "[ . 1 . 2]" 1
1399 2 16 THR H 2 30 PHE QE 5.500 . 5.500 5.291 5.058 5.507 0.007 18 0 "[ . 1 . 2]" 1
1400 2 15 GLU HA 2 16 THR H 3.100 . 3.100 2.163 2.139 2.179 . 0 0 "[ . 1 . 2]" 1
1401 2 6 ILE HA 2 16 THR H 5.000 . 5.000 3.803 3.730 3.896 . 0 0 "[ . 1 . 2]" 1
1402 2 15 GLU QG 2 16 THR H 4.700 . 4.700 4.050 3.912 4.141 . 0 0 "[ . 1 . 2]" 1
1403 2 15 GLU QB 2 16 THR H 4.100 . 4.100 3.037 2.839 3.209 . 0 0 "[ . 1 . 2]" 1
1404 2 4 LYS QG 2 16 THR H 5.200 . 5.200 3.696 3.441 3.814 . 0 0 "[ . 1 . 2]" 1
1405 2 16 THR H 2 16 THR MG 4.300 . 4.300 2.811 2.753 2.902 . 0 0 "[ . 1 . 2]" 1
1406 2 5 LEU HB3 2 16 THR H 4.000 . 4.000 2.995 2.790 3.129 . 0 0 "[ . 1 . 2]" 1
1407 2 5 LEU MD1 2 16 THR H 5.500 . 5.500 3.582 3.319 3.818 . 0 0 "[ . 1 . 2]" 1
1408 2 5 LEU MD2 2 16 THR H 5.500 . 5.500 5.324 5.121 5.473 . 0 0 "[ . 1 . 2]" 1
1409 2 5 LEU HB2 2 16 THR H 4.500 . 4.500 4.538 4.344 4.597 0.097 9 0 "[ . 1 . 2]" 1
1410 2 33 TYR H 2 34 PHE H 3.900 . 3.900 2.576 2.470 2.675 . 0 0 "[ . 1 . 2]" 1
1411 2 33 TYR QD 2 34 PHE H 5.200 . 5.200 4.316 4.215 4.472 . 0 0 "[ . 1 . 2]" 1
1412 2 34 PHE H 2 43 TRP HH2 5.500 . 5.500 4.330 3.995 5.055 . 0 0 "[ . 1 . 2]" 1
1413 2 30 PHE HA 2 34 PHE H 5.500 . 5.500 3.944 3.690 4.310 . 0 0 "[ . 1 . 2]" 1
1414 2 31 LYS HA 2 34 PHE H 4.900 . 4.900 3.389 2.942 3.814 . 0 0 "[ . 1 . 2]" 1
1415 2 34 PHE H 2 34 PHE HB2 4.200 . 4.200 2.687 2.516 2.917 . 0 0 "[ . 1 . 2]" 1
1416 2 34 PHE H 2 34 PHE HB3 4.200 . 4.200 3.785 3.659 3.945 . 0 0 "[ . 1 . 2]" 1
1417 2 33 TYR HB2 2 34 PHE H 4.900 . 4.900 2.661 2.426 3.001 . 0 0 "[ . 1 . 2]" 1
1418 2 33 TYR HB3 2 34 PHE H 4.900 . 4.900 3.287 2.861 3.721 . 0 0 "[ . 1 . 2]" 1
1419 2 33 TYR H 2 33 TYR QD 4.200 . 4.200 2.264 2.080 2.452 . 0 0 "[ . 1 . 2]" 1
1420 2 33 TYR H 2 33 TYR QE 5.500 . 5.500 4.589 4.417 4.751 . 0 0 "[ . 1 . 2]" 1
1421 2 30 PHE HA 2 33 TYR H 5.400 . 5.400 3.502 3.250 3.629 . 0 0 "[ . 1 . 2]" 1
1422 2 30 PHE HB3 2 33 TYR H 5.500 . 5.500 5.452 5.271 5.573 0.073 13 0 "[ . 1 . 2]" 1
1423 2 33 TYR H 2 33 TYR HB2 4.000 . 4.000 2.288 2.228 2.404 . 0 0 "[ . 1 . 2]" 1
1424 2 33 TYR H 2 33 TYR HB3 4.000 . 4.000 3.555 3.517 3.613 . 0 0 "[ . 1 . 2]" 1
1425 2 32 GLN HB2 2 33 TYR H 3.900 . 3.900 3.152 2.595 3.701 . 0 0 "[ . 1 . 2]" 1
1426 2 20 ALA H 2 21 VAL H 5.200 . 5.200 4.448 4.363 4.486 . 0 0 "[ . 1 . 2]" 1
1427 2 20 ALA HA 2 21 VAL H 3.000 . 3.000 2.341 2.242 2.447 . 0 0 "[ . 1 . 2]" 1
1428 2 21 VAL H 2 25 THR HA 5.500 . 5.500 5.689 5.649 5.744 0.244 3 0 "[ . 1 . 2]" 1
1429 2 21 VAL H 2 21 VAL HB 3.200 . 3.200 2.719 2.640 2.774 . 0 0 "[ . 1 . 2]" 1
1430 2 20 ALA MB 2 21 VAL H 3.200 . 3.200 2.457 2.335 2.665 . 0 0 "[ . 1 . 2]" 1
1431 2 20 ALA HA 2 22 ASP H 5.100 . 5.100 4.604 4.329 4.810 . 0 0 "[ . 1 . 2]" 1
1432 2 22 ASP H 2 25 THR HB 3.200 . 3.200 2.355 2.295 2.428 . 0 0 "[ . 1 . 2]" 1
1433 2 22 ASP H 2 25 THR HA 5.500 . 5.500 5.049 4.989 5.111 . 0 0 "[ . 1 . 2]" 1
1434 2 22 ASP H 2 23 ALA HA 5.500 . 5.500 5.078 4.961 5.197 . 0 0 "[ . 1 . 2]" 1
1435 2 22 ASP H 2 22 ASP QB 3.900 . 3.900 2.621 2.408 3.190 . 0 0 "[ . 1 . 2]" 1
1436 2 21 VAL HB 2 22 ASP H 4.700 . 4.700 4.243 4.179 4.332 . 0 0 "[ . 1 . 2]" 1
1437 2 20 ALA MB 2 22 ASP H 3.200 . 3.200 2.928 2.674 3.138 . 0 0 "[ . 1 . 2]" 1
1438 2 22 ASP H 2 26 ALA MB 4.700 . 4.700 4.640 4.522 4.711 0.011 6 0 "[ . 1 . 2]" 1
1439 2 21 VAL H 2 22 ASP H 3.400 . 3.400 2.878 2.819 2.914 . 0 0 "[ . 1 . 2]" 1
1440 2 22 ASP H 2 23 ALA H 5.200 . 5.200 4.118 3.991 4.230 . 0 0 "[ . 1 . 2]" 1
1441 2 17 THR H 2 18 THR H 5.400 . 5.400 4.405 4.357 4.441 . 0 0 "[ . 1 . 2]" 1
1442 2 5 LEU H 2 18 THR H 5.500 . 5.500 5.271 5.180 5.354 . 0 0 "[ . 1 . 2]" 1
1443 2 3 TYR H 2 18 THR H 4.000 . 4.000 3.138 3.067 3.277 . 0 0 "[ . 1 . 2]" 1
1444 2 18 THR H 2 30 PHE QE 4.800 . 4.800 3.709 3.439 4.009 . 0 0 "[ . 1 . 2]" 1
1445 2 17 THR HA 2 18 THR H 3.200 . 3.200 2.209 2.122 2.258 . 0 0 "[ . 1 . 2]" 1
1446 2 4 LYS HA 2 18 THR H 4.500 . 4.500 3.494 3.380 3.582 . 0 0 "[ . 1 . 2]" 1
1447 2 3 TYR HA 2 18 THR H 5.500 . 5.500 4.912 4.849 4.961 . 0 0 "[ . 1 . 2]" 1
1448 2 17 THR HB 2 18 THR H 4.100 . 4.100 3.662 3.481 3.808 . 0 0 "[ . 1 . 2]" 1
1449 2 18 THR H 2 18 THR HB 4.000 . 4.000 3.242 3.161 3.349 . 0 0 "[ . 1 . 2]" 1
1450 2 3 TYR HB3 2 18 THR H 5.000 . 5.000 4.927 4.847 5.013 0.013 10 0 "[ . 1 . 2]" 1
1451 2 3 TYR HB2 2 18 THR H 4.500 . 4.500 3.946 3.902 3.992 . 0 0 "[ . 1 . 2]" 1
1452 2 4 LYS QG 2 18 THR H 5.500 . 5.500 5.108 4.760 5.337 . 0 0 "[ . 1 . 2]" 1
1453 2 17 THR MG 2 18 THR H 4.000 . 4.000 2.334 2.227 2.435 . 0 0 "[ . 1 . 2]" 1
1454 2 18 THR H 2 18 THR MG 3.700 . 3.700 2.475 2.326 2.587 . 0 0 "[ . 1 . 2]" 1
1455 2 5 LEU H 2 17 THR H 5.500 . 5.500 4.831 4.794 4.921 . 0 0 "[ . 1 . 2]" 1
1456 1 14 GLY H 2 17 THR H 5.200 . 5.200 4.911 4.838 4.961 . 0 0 "[ . 1 . 2]" 1
1457 1 17 THR H 2 14 GLY H 5.500 . 5.500 4.897 4.770 4.954 . 0 0 "[ . 1 . 2]" 1
1458 2 17 THR H 2 30 PHE QE 5.500 . 5.500 4.025 3.582 4.313 . 0 0 "[ . 1 . 2]" 1
1459 2 16 THR HA 2 17 THR H 3.400 . 3.400 2.379 2.324 2.410 . 0 0 "[ . 1 . 2]" 1
1460 1 13 LYS HA 2 17 THR H 5.500 . 5.500 4.775 4.723 4.817 . 0 0 "[ . 1 . 2]" 1
1461 1 17 THR H 2 13 LYS HA 5.500 . 5.500 4.838 4.784 4.891 . 0 0 "[ . 1 . 2]" 1
1462 2 16 THR HB 2 17 THR H 4.000 . 4.000 2.416 2.345 2.577 . 0 0 "[ . 1 . 2]" 1
1463 1 13 LYS HB3 2 17 THR H 5.500 . 5.500 4.974 4.807 5.154 . 0 0 "[ . 1 . 2]" 1
1464 1 17 THR H 2 13 LYS HB3 5.500 . 5.500 4.908 4.673 5.103 . 0 0 "[ . 1 . 2]" 1
1465 1 13 LYS HB2 2 17 THR H 4.900 . 4.900 3.971 3.790 4.236 . 0 0 "[ . 1 . 2]" 1
1466 1 17 THR H 2 13 LYS HB2 5.500 . 5.500 3.905 3.519 4.211 . 0 0 "[ . 1 . 2]" 1
1467 2 4 LYS QG 2 17 THR H 5.500 . 5.500 4.836 4.423 5.046 . 0 0 "[ . 1 . 2]" 1
1468 2 17 THR H 2 17 THR MG 4.500 . 4.500 4.018 3.961 4.036 . 0 0 "[ . 1 . 2]" 1
1469 2 2 GLN HE22 2 18 THR HA 5.400 . 5.400 4.206 3.989 5.322 . 0 0 "[ . 1 . 2]" 1
1470 2 2 GLN HE22 2 19 GLU HA 5.400 . 5.400 4.229 3.837 5.423 0.023 9 0 "[ . 1 . 2]" 1
1471 2 2 GLN HA 2 2 GLN HE22 5.300 . 5.300 3.762 3.472 4.762 . 0 0 "[ . 1 . 2]" 1
1472 2 2 GLN HE22 2 17 THR HB 5.200 . 5.200 4.680 4.359 5.219 0.019 8 0 "[ . 1 . 2]" 1
1473 2 2 GLN HE22 2 17 THR MG 5.300 . 5.300 3.467 3.211 3.611 . 0 0 "[ . 1 . 2]" 1
1474 2 37 ASN H 2 37 ASN HD22 5.200 . 5.200 4.494 3.791 5.426 0.226 9 0 "[ . 1 . 2]" 1
1475 2 37 ASN HA 2 37 ASN HD22 5.500 . 5.500 4.740 3.545 5.421 . 0 0 "[ . 1 . 2]" 1
1476 1 33 TYR HA 2 37 ASN HD22 5.500 . 5.500 3.174 2.450 4.333 . 0 0 "[ . 1 . 2]" 1
1477 1 37 ASN HD22 2 33 TYR HA 5.500 . 5.500 3.491 2.967 4.672 . 0 0 "[ . 1 . 2]" 1
1478 2 2 GLN HE21 2 19 GLU HA 5.500 . 5.500 3.129 2.854 3.774 . 0 0 "[ . 1 . 2]" 1
1479 2 2 GLN HE21 2 18 THR HA 5.500 . 5.500 3.721 3.612 4.174 . 0 0 "[ . 1 . 2]" 1
1480 2 2 GLN HE21 2 17 THR HB 5.200 . 5.200 4.605 4.298 5.012 . 0 0 "[ . 1 . 2]" 1
1481 2 2 GLN HE21 2 19 GLU QB 4.100 . 4.100 2.728 2.466 3.863 . 0 0 "[ . 1 . 2]" 1
1482 2 2 GLN HE21 2 17 THR MG 4.200 . 4.200 2.777 2.443 3.087 . 0 0 "[ . 1 . 2]" 1
1483 2 35 ASN H 2 35 ASN HD21 5.200 . 5.200 3.813 2.250 4.876 . 0 0 "[ . 1 . 2]" 1
1484 2 37 ASN H 2 37 ASN HD21 5.200 . 5.200 4.341 3.543 5.298 0.098 11 0 "[ . 1 . 2]" 1
1485 1 33 TYR HA 2 37 ASN HD21 5.500 . 5.500 2.846 2.092 4.488 . 0 0 "[ . 1 . 2]" 1
1486 1 37 ASN HD21 2 33 TYR HA 5.500 . 5.500 2.882 2.118 4.723 . 0 0 "[ . 1 . 2]" 1
1487 2 35 ASN H 2 35 ASN HD22 5.200 . 5.200 4.915 3.219 5.502 0.302 13 0 "[ . 1 . 2]" 1
1488 2 8 ASN H 2 8 ASN HD21 4.700 . 4.700 2.733 2.610 2.956 . 0 0 "[ . 1 . 2]" 1
1489 2 8 ASN HD21 2 54 VAL H 5.500 . 5.500 3.185 3.011 3.422 . 0 0 "[ . 1 . 2]" 1
1490 2 8 ASN HD21 2 55 THR H 5.500 . 5.500 4.521 4.465 4.576 . 0 0 "[ . 1 . 2]" 1
1491 2 8 ASN HD21 2 55 THR HA 4.200 . 4.200 3.046 2.824 3.173 . 0 0 "[ . 1 . 2]" 1
1492 2 8 ASN HB3 2 8 ASN HD21 3.500 . 3.500 3.485 3.465 3.514 0.014 6 0 "[ . 1 . 2]" 1
1493 2 8 ASN HD21 2 55 THR MG 4.100 . 4.100 3.885 3.620 4.033 . 0 0 "[ . 1 . 2]" 1
1494 2 8 ASN HD21 2 53 THR MG 3.400 . 3.400 2.702 2.568 2.830 . 0 0 "[ . 1 . 2]" 1
1495 2 6 ILE MG 2 8 ASN HD21 4.000 . 4.000 3.499 3.386 3.645 . 0 0 "[ . 1 . 2]" 1
1496 2 8 ASN H 2 8 ASN HD22 5.000 . 5.000 4.172 4.061 4.293 . 0 0 "[ . 1 . 2]" 1
1497 2 8 ASN HD22 2 53 THR HB 5.500 . 5.500 4.914 4.725 5.162 . 0 0 "[ . 1 . 2]" 1
1498 2 6 ILE HB 2 8 ASN HD22 5.400 . 5.400 3.591 3.385 3.828 . 0 0 "[ . 1 . 2]" 1
1499 2 8 ASN HD22 2 53 THR MG 3.400 . 3.400 2.029 1.911 2.218 . 0 0 "[ . 1 . 2]" 1
1500 2 6 ILE MG 2 8 ASN HD22 3.700 . 3.700 2.502 2.352 2.673 . 0 0 "[ . 1 . 2]" 1
1501 2 7 LEU HA 2 8 ASN HD22 5.500 . 5.500 4.639 4.353 4.854 . 0 0 "[ . 1 . 2]" 1
1502 2 8 ASN HD22 2 55 THR HB 5.500 . 5.500 5.578 5.557 5.607 0.107 8 0 "[ . 1 . 2]" 1
1503 2 51 THR H 2 52 PHE H 5.200 . 5.200 4.534 4.492 4.569 . 0 0 "[ . 1 . 2]" 1
1504 2 4 LYS H 2 51 THR H 5.500 . 5.500 4.925 4.808 5.109 . 0 0 "[ . 1 . 2]" 1
1505 2 46 ASP H 2 51 THR H 3.700 . 3.700 3.354 3.203 3.508 . 0 0 "[ . 1 . 2]" 1
1506 2 49 THR H 2 51 THR H 4.300 . 4.300 3.708 3.558 3.910 . 0 0 "[ . 1 . 2]" 1
1507 2 50 LYS HA 2 51 THR H 3.400 . 3.400 2.706 2.667 2.836 . 0 0 "[ . 1 . 2]" 1
1508 2 51 THR H 2 51 THR HB 3.400 . 3.400 2.739 2.642 2.826 . 0 0 "[ . 1 . 2]" 1
1509 2 46 ASP HB2 2 51 THR H 4.600 . 4.600 3.939 3.512 4.517 . 0 0 "[ . 1 . 2]" 1
1510 2 46 ASP HB3 2 51 THR H 4.600 . 4.600 3.896 2.773 4.609 0.009 11 0 "[ . 1 . 2]" 1
1511 2 50 LYS HD2 2 51 THR H 5.500 . 5.500 5.400 4.669 5.601 0.101 11 0 "[ . 1 . 2]" 1
1512 2 50 LYS HD3 2 51 THR H 5.500 . 5.500 4.710 4.483 5.644 0.144 5 0 "[ . 1 . 2]" 1
1513 2 51 THR H 2 51 THR MG 4.700 . 4.700 3.974 3.922 4.020 . 0 0 "[ . 1 . 2]" 1
1514 2 10 LYS H 2 11 THR H 3.600 . 3.600 2.382 2.094 2.811 . 0 0 "[ . 1 . 2]" 1
1515 2 11 THR H 2 12 LEU HA 5.500 . 5.500 4.997 4.405 5.265 . 0 0 "[ . 1 . 2]" 1
1516 2 11 THR H 2 11 THR HB 3.600 . 3.600 3.101 2.405 3.643 0.043 4 0 "[ . 1 . 2]" 1
1517 2 10 LYS QB 2 11 THR H 3.600 . 3.600 2.856 2.516 3.514 . 0 0 "[ . 1 . 2]" 1
1518 2 10 LYS QD 2 11 THR H 5.500 . 5.500 5.057 4.679 5.532 0.032 9 0 "[ . 1 . 2]" 1
1519 2 10 LYS QG 2 11 THR H 4.900 . 4.900 4.211 4.053 4.612 . 0 0 "[ . 1 . 2]" 1
1520 2 11 THR H 2 11 THR MG 4.500 . 4.500 3.213 2.443 3.959 . 0 0 "[ . 1 . 2]" 1
1521 2 8 ASN HD21 2 9 GLY H 5.500 . 5.500 5.608 5.578 5.625 0.125 19 0 "[ . 1 . 2]" 1
1522 2 8 ASN H 2 9 GLY H 5.100 . 5.100 4.133 3.909 4.354 . 0 0 "[ . 1 . 2]" 1
1523 2 8 ASN HA 2 9 GLY H 3.300 . 3.300 2.152 2.108 2.195 . 0 0 "[ . 1 . 2]" 1
1524 2 9 GLY H 2 13 LYS HA 4.000 . 4.000 3.521 3.002 3.896 . 0 0 "[ . 1 . 2]" 1
1525 2 9 GLY H 2 55 THR HA 5.500 . 5.500 5.183 4.950 5.365 . 0 0 "[ . 1 . 2]" 1
1526 2 8 ASN HB2 2 9 GLY H 4.900 . 4.900 4.054 3.809 4.293 . 0 0 "[ . 1 . 2]" 1
1527 2 9 GLY H 2 13 LYS QE 5.500 . 5.500 3.665 2.569 4.860 . 0 0 "[ . 1 . 2]" 1
1528 2 8 ASN HB3 2 9 GLY H 5.400 . 5.400 3.341 2.998 3.708 . 0 0 "[ . 1 . 2]" 1
1529 2 9 GLY H 2 13 LYS HB3 5.000 . 5.000 4.297 3.936 4.584 . 0 0 "[ . 1 . 2]" 1
1530 2 9 GLY H 2 13 LYS QD 4.700 . 4.700 3.666 2.725 4.177 . 0 0 "[ . 1 . 2]" 1
1531 2 9 GLY H 2 13 LYS QG 4.100 . 4.100 2.032 1.727 2.390 0.073 6 0 "[ . 1 . 2]" 1
1532 2 7 LEU HG 2 9 GLY H 5.200 . 5.200 4.435 3.930 5.207 0.007 19 0 "[ . 1 . 2]" 1
1533 2 7 LEU MD2 2 9 GLY H 5.500 . 5.500 5.302 2.762 5.559 0.059 12 0 "[ . 1 . 2]" 1
1534 2 7 LEU MD1 2 9 GLY H 5.500 . 5.500 5.009 4.649 5.458 . 0 0 "[ . 1 . 2]" 1
1535 2 41 GLY H 2 43 TRP HE1 5.500 . 5.500 4.321 3.582 5.026 . 0 0 "[ . 1 . 2]" 1
1536 2 40 ASP H 2 41 GLY H 4.600 . 4.600 3.117 2.512 3.514 . 0 0 "[ . 1 . 2]" 1
1537 2 39 VAL H 2 41 GLY H 5.500 . 5.500 5.001 4.494 5.497 . 0 0 "[ . 1 . 2]" 1
1538 2 41 GLY H 2 43 TRP HD1 5.500 . 5.500 5.125 4.237 5.521 0.021 3 0 "[ . 1 . 2]" 1
1539 2 41 GLY H 2 54 VAL MG2 5.500 . 5.500 5.133 3.146 5.522 0.022 7 0 "[ . 1 . 2]" 1
1540 2 40 ASP HB3 2 41 GLY H 5.500 . 5.500 4.377 3.331 4.646 . 0 0 "[ . 1 . 2]" 1
1541 2 41 GLY H 2 56 GLU QG 5.500 . 5.500 4.267 3.020 4.862 . 0 0 "[ . 1 . 2]" 1
1542 2 39 VAL HB 2 41 GLY H 5.500 . 5.500 4.086 2.696 5.406 . 0 0 "[ . 1 . 2]" 1
1543 2 41 GLY H 2 54 VAL MG1 5.500 . 5.500 3.348 2.696 5.503 0.003 18 0 "[ . 1 . 2]" 1
1544 2 38 GLY H 2 40 ASP H 5.300 . 5.300 3.906 3.343 4.663 . 0 0 "[ . 1 . 2]" 1
1545 2 36 ASP HA 2 38 GLY H 5.500 . 5.500 4.025 3.338 5.130 . 0 0 "[ . 1 . 2]" 1
1546 2 36 ASP QB 2 38 GLY H 4.900 . 4.900 4.626 3.346 5.104 0.204 7 0 "[ . 1 . 2]" 1
1547 2 38 GLY H 2 39 VAL HB 5.500 . 5.500 4.879 3.923 5.571 0.071 9 0 "[ . 1 . 2]" 1
1548 2 9 GLY H 2 14 GLY H 5.500 . 5.500 5.280 4.885 5.522 0.022 10 0 "[ . 1 . 2]" 1
1549 1 16 THR HA 2 14 GLY H 5.100 . 5.100 4.673 4.648 4.705 . 0 0 "[ . 1 . 2]" 1
1550 1 14 GLY H 2 16 THR HA 5.400 . 5.400 4.643 4.606 4.682 . 0 0 "[ . 1 . 2]" 1
1551 2 8 ASN HA 2 14 GLY H 4.900 . 4.900 4.123 3.978 4.250 . 0 0 "[ . 1 . 2]" 1
1552 2 13 LYS HA 2 14 GLY H 3.300 . 3.300 2.382 2.323 2.476 . 0 0 "[ . 1 . 2]" 1
1553 2 13 LYS HB3 2 14 GLY H 3.400 . 3.400 2.773 2.588 2.956 . 0 0 "[ . 1 . 2]" 1
1554 2 13 LYS HB2 2 14 GLY H 4.400 . 4.400 3.909 3.700 4.057 . 0 0 "[ . 1 . 2]" 1
1555 2 13 LYS QG 2 14 GLY H 5.100 . 5.100 4.033 3.665 4.274 . 0 0 "[ . 1 . 2]" 1
1556 2 7 LEU HB3 2 14 GLY H 3.900 . 3.900 2.515 2.426 2.616 . 0 0 "[ . 1 . 2]" 1
1557 2 48 ALA H 2 49 THR H 3.200 . 3.200 2.773 1.703 3.145 0.097 4 0 "[ . 1 . 2]" 1
1558 2 49 THR H 2 50 LYS H 3.000 . 3.000 1.986 1.789 2.082 0.011 16 0 "[ . 1 . 2]" 1
1559 2 49 THR H 2 51 THR HB 5.500 . 5.500 5.217 5.052 5.341 . 0 0 "[ . 1 . 2]" 1
1560 2 46 ASP HB2 2 49 THR H 4.900 . 4.900 4.603 4.175 5.130 0.230 6 0 "[ . 1 . 2]" 1
1561 2 46 ASP HB3 2 49 THR H 4.900 . 4.900 3.710 3.559 3.887 . 0 0 "[ . 1 . 2]" 1
1562 2 48 ALA MB 2 49 THR H 3.200 . 3.200 3.066 2.780 3.294 0.094 16 0 "[ . 1 . 2]" 1
1563 2 49 THR H 2 49 THR MG 3.300 . 3.300 2.856 2.664 3.084 . 0 0 "[ . 1 . 2]" 1
1564 2 45 TYR QE 2 46 ASP H 5.500 . 5.500 4.160 4.015 4.287 . 0 0 "[ . 1 . 2]" 1
1565 2 45 TYR QE 2 47 ASP H 5.200 . 5.200 4.088 3.984 4.192 . 0 0 "[ . 1 . 2]" 1
1566 2 45 TYR QE 2 50 LYS H 5.400 . 5.400 4.520 4.219 4.859 . 0 0 "[ . 1 . 2]" 1
1567 2 45 TYR QE 2 51 THR H 4.800 . 4.800 3.316 3.092 3.546 . 0 0 "[ . 1 . 2]" 1
1568 2 2 GLN HG2 2 17 THR HB 5.100 . 5.100 5.160 5.137 5.174 0.074 3 0 "[ . 1 . 2]" 1
1569 1 12 LEU HG 2 16 THR HB 4.300 . 4.300 2.633 2.335 3.048 . 0 0 "[ . 1 . 2]" 1
1570 1 16 THR HB 2 12 LEU HG 4.600 . 4.600 2.655 2.430 3.191 . 0 0 "[ . 1 . 2]" 1
1571 2 44 THR HB 2 45 TYR H 3.800 . 3.800 3.777 3.499 3.865 0.065 15 0 "[ . 1 . 2]" 1
1572 2 44 THR HB 2 53 THR HB 5.200 . 5.200 2.280 2.175 2.449 . 0 0 "[ . 1 . 2]" 1
1573 2 18 THR HB 2 30 PHE QE 5.100 . 5.100 2.922 2.770 3.108 . 0 0 "[ . 1 . 2]" 1
1574 2 55 THR HB 2 56 GLU H 5.100 . 5.100 4.128 4.006 4.356 . 0 0 "[ . 1 . 2]" 1
1575 2 6 ILE HB 2 53 THR HB 5.500 . 5.500 4.477 4.370 4.562 . 0 0 "[ . 1 . 2]" 1
1576 1 18 THR HB 2 12 LEU QB 4.800 . 4.800 3.678 2.861 4.102 . 0 0 "[ . 1 . 2]" 1
1577 2 44 THR MG 2 53 THR HB 5.000 . 5.000 3.589 3.494 3.699 . 0 0 "[ . 1 . 2]" 1
1578 2 53 THR HB 2 54 VAL H 5.100 . 5.100 4.102 3.992 4.230 . 0 0 "[ . 1 . 2]" 1
1579 2 49 THR HB 2 50 LYS H 5.500 . 5.500 4.583 4.341 4.708 . 0 0 "[ . 1 . 2]" 1
1580 2 25 THR HB 2 26 ALA MB 5.400 . 5.400 4.179 4.040 4.343 . 0 0 "[ . 1 . 2]" 1
1581 2 25 THR HA 2 28 LYS QE 5.500 . 5.500 4.451 2.260 5.513 0.013 20 0 "[ . 1 . 2]" 1
1582 2 25 THR HA 2 28 LYS QB 4.000 . 4.000 2.305 2.143 2.456 . 0 0 "[ . 1 . 2]" 1
1583 2 25 THR HA 2 28 LYS H 4.800 . 4.800 3.120 2.907 3.332 . 0 0 "[ . 1 . 2]" 1
1584 2 25 THR HA 2 26 ALA MB 5.500 . 5.500 5.073 5.055 5.095 . 0 0 "[ . 1 . 2]" 1
1585 2 29 VAL HA 2 32 GLN HA 5.500 . 5.500 5.384 5.285 5.544 0.044 8 0 "[ . 1 . 2]" 1
1586 2 29 VAL HA 2 32 GLN HB3 4.000 . 4.000 3.771 2.923 4.044 0.044 1 0 "[ . 1 . 2]" 1
1587 2 29 VAL HA 2 29 VAL MG1 3.700 . 3.700 2.488 2.456 2.532 . 0 0 "[ . 1 . 2]" 1
1588 2 21 VAL HA 2 22 ASP HA 5.400 . 5.400 4.658 4.614 4.687 . 0 0 "[ . 1 . 2]" 1
1589 2 20 ALA MB 2 21 VAL HA 5.200 . 5.200 4.366 4.313 4.430 . 0 0 "[ . 1 . 2]" 1
1590 2 11 THR HA 2 11 THR MG 3.700 . 3.700 2.381 2.292 2.492 . 0 0 "[ . 1 . 2]" 1
1591 2 51 THR HA 2 52 PHE H 3.500 . 3.500 2.223 2.165 2.298 . 0 0 "[ . 1 . 2]" 1
1592 2 51 THR HA 2 52 PHE QD 5.200 . 5.200 3.440 3.259 3.615 . 0 0 "[ . 1 . 2]" 1
1593 2 4 LYS QB 2 51 THR HA 4.200 . 4.200 2.641 2.466 2.870 . 0 0 "[ . 1 . 2]" 1
1594 2 4 LYS QG 2 51 THR HA 5.500 . 5.500 4.315 4.105 4.668 . 0 0 "[ . 1 . 2]" 1
1595 2 6 ILE H 2 53 THR HA 4.300 . 4.300 2.591 2.465 2.780 . 0 0 "[ . 1 . 2]" 1
1596 2 6 ILE HB 2 53 THR HA 4.100 . 4.100 2.414 2.364 2.450 . 0 0 "[ . 1 . 2]" 1
1597 2 6 ILE MD 2 53 THR HA 5.300 . 5.300 3.984 3.924 4.042 . 0 0 "[ . 1 . 2]" 1
1598 2 6 ILE HA 2 6 ILE HG12 4.100 . 4.100 2.617 2.591 2.652 . 0 0 "[ . 1 . 2]" 1
1599 2 17 THR HA 2 30 PHE QE 5.200 . 5.200 3.380 3.170 3.638 . 0 0 "[ . 1 . 2]" 1
1600 2 4 LYS HA 2 17 THR HA 3.900 . 3.900 2.195 2.131 2.259 . 0 0 "[ . 1 . 2]" 1
1601 2 4 LYS QB 2 17 THR HA 5.500 . 5.500 3.811 3.734 3.928 . 0 0 "[ . 1 . 2]" 1
1602 2 4 LYS QG 2 17 THR HA 5.500 . 5.500 3.385 3.028 3.612 . 0 0 "[ . 1 . 2]" 1
1603 2 17 THR HA 2 18 THR MG 5.300 . 5.300 3.861 3.736 3.998 . 0 0 "[ . 1 . 2]" 1
1604 1 15 GLU H 2 16 THR HA 4.600 . 4.600 3.552 3.439 3.628 . 0 0 "[ . 1 . 2]" 1
1605 1 16 THR HA 2 15 GLU H 4.900 . 4.900 3.593 3.480 3.681 . 0 0 "[ . 1 . 2]" 1
1606 1 14 GLY HA2 2 16 THR HA 4.400 . 4.400 2.642 2.470 2.943 . 0 0 "[ . 1 . 2]" 1
1607 1 16 THR HA 2 14 GLY HA2 4.100 . 4.100 2.644 2.475 2.762 . 0 0 "[ . 1 . 2]" 1
1608 2 6 ILE HA 2 15 GLU QG 5.500 . 5.500 2.541 2.302 2.667 . 0 0 "[ . 1 . 2]" 1
1609 2 6 ILE HA 2 6 ILE MD 4.200 . 4.200 3.912 3.896 3.928 . 0 0 "[ . 1 . 2]" 1
1610 2 27 GLU HA 2 30 PHE QD 4.700 . 4.700 2.652 2.365 2.877 . 0 0 "[ . 1 . 2]" 1
1611 2 27 GLU HA 2 30 PHE HB2 5.500 . 5.500 2.704 2.458 2.833 . 0 0 "[ . 1 . 2]" 1
1612 2 26 ALA MB 2 27 GLU HA 5.500 . 5.500 4.021 3.983 4.091 . 0 0 "[ . 1 . 2]" 1
1613 2 53 THR HA 2 54 VAL HA 5.200 . 5.200 4.489 4.460 4.514 . 0 0 "[ . 1 . 2]" 1
1614 2 54 VAL HA 2 55 THR HB 5.300 . 5.300 4.493 4.432 4.590 . 0 0 "[ . 1 . 2]" 1
1615 2 31 LYS HA 2 43 TRP HZ2 5.300 . 5.300 3.119 2.916 3.339 . 0 0 "[ . 1 . 2]" 1
1616 2 31 LYS HA 2 43 TRP HH2 5.400 . 5.400 2.939 2.703 3.255 . 0 0 "[ . 1 . 2]" 1
1617 2 28 LYS HA 2 32 GLN HB2 5.200 . 5.200 5.229 4.831 5.327 0.127 19 0 "[ . 1 . 2]" 1
1618 2 28 LYS HA 2 31 LYS QB 3.900 . 3.900 2.720 2.513 2.889 . 0 0 "[ . 1 . 2]" 1
1619 2 9 GLY HA2 2 10 LYS HA 5.000 . 5.000 4.380 4.247 4.488 . 0 0 "[ . 1 . 2]" 1
1620 2 10 LYS HA 2 10 LYS QG 3.900 . 3.900 2.711 2.371 3.122 . 0 0 "[ . 1 . 2]" 1
1621 2 32 GLN HA 2 35 ASN QB 5.500 . 5.500 3.551 2.830 4.650 . 0 0 "[ . 1 . 2]" 1
1622 2 3 TYR HA 2 3 TYR QD 4.400 . 4.400 3.000 2.875 3.074 . 0 0 "[ . 1 . 2]" 1
1623 2 3 TYR HA 2 4 LYS QB 4.700 . 4.700 3.753 3.696 3.806 . 0 0 "[ . 1 . 2]" 1
1624 2 51 THR MG 2 52 PHE HA 5.500 . 5.500 3.876 3.830 3.910 . 0 0 "[ . 1 . 2]" 1
1625 2 43 TRP HA 2 54 VAL HA 4.100 . 4.100 2.702 2.472 2.846 . 0 0 "[ . 1 . 2]" 1
1626 2 45 TYR HA 2 52 PHE HA 3.900 . 3.900 2.235 2.169 2.315 . 0 0 "[ . 1 . 2]" 1
1627 2 3 TYR QD 2 50 LYS HA 5.200 . 5.200 3.355 3.085 3.588 . 0 0 "[ . 1 . 2]" 1
1628 2 47 ASP HA 2 49 THR H 5.500 . 5.500 3.525 3.342 3.775 . 0 0 "[ . 1 . 2]" 1
1629 2 50 LYS HA 2 50 LYS HD3 4.200 . 4.200 2.400 2.132 4.052 . 0 0 "[ . 1 . 2]" 1
1630 2 2 GLN HA 2 20 ALA H 4.600 . 4.600 3.881 3.622 4.116 . 0 0 "[ . 1 . 2]" 1
1631 2 2 GLN HA 2 19 GLU H 5.500 . 5.500 4.874 4.757 4.978 . 0 0 "[ . 1 . 2]" 1
1632 2 2 GLN HA 2 3 TYR QD 5.300 . 5.300 3.743 3.528 3.932 . 0 0 "[ . 1 . 2]" 1
1633 2 2 GLN HA 2 18 THR H 5.500 . 5.500 4.616 4.508 4.725 . 0 0 "[ . 1 . 2]" 1
1634 2 6 ILE HA 2 15 GLU HA 4.100 . 4.100 2.529 2.447 2.624 . 0 0 "[ . 1 . 2]" 1
1635 2 15 GLU HA 2 16 THR MG 5.200 . 5.200 3.596 3.536 3.655 . 0 0 "[ . 1 . 2]" 1
1636 2 6 ILE MG 2 15 GLU HA 5.400 . 5.400 4.038 3.960 4.171 . 0 0 "[ . 1 . 2]" 1
1637 2 48 ALA HA 2 50 LYS H 5.300 . 5.300 4.290 4.066 4.608 . 0 0 "[ . 1 . 2]" 1
1638 2 25 THR HA 2 26 ALA HA 5.500 . 5.500 4.851 4.825 4.868 . 0 0 "[ . 1 . 2]" 1
1639 2 26 ALA HA 2 29 VAL HB 4.100 . 4.100 2.790 2.653 2.866 . 0 0 "[ . 1 . 2]" 1
1640 2 18 THR MG 2 26 ALA HA 4.000 . 4.000 2.513 2.328 2.633 . 0 0 "[ . 1 . 2]" 1
1641 2 4 LYS HA 2 16 THR H 5.500 . 5.500 4.945 4.846 5.050 . 0 0 "[ . 1 . 2]" 1
1642 2 4 LYS HA 2 17 THR HB 5.500 . 5.500 4.913 4.868 4.986 . 0 0 "[ . 1 . 2]" 1
1643 2 48 ALA HA 2 49 THR HA 5.500 . 5.500 4.538 4.433 4.692 . 0 0 "[ . 1 . 2]" 1
1644 2 48 ALA HA 2 49 THR MG 5.500 . 5.500 4.858 4.216 5.308 . 0 0 "[ . 1 . 2]" 1
1645 2 24 ALA HA 2 28 LYS H 5.100 . 5.100 4.110 3.906 4.264 . 0 0 "[ . 1 . 2]" 1
1646 2 24 ALA HA 2 28 LYS QB 4.800 . 4.800 4.717 4.463 4.824 0.024 8 0 "[ . 1 . 2]" 1
1647 2 3 TYR QD 2 26 ALA HA 4.900 . 4.900 4.671 4.538 4.881 . 0 0 "[ . 1 . 2]" 1
1648 2 3 TYR QE 2 23 ALA HA 4.400 . 4.400 3.021 2.843 3.316 . 0 0 "[ . 1 . 2]" 1
1649 2 22 ASP HA 2 23 ALA HA 5.500 . 5.500 4.342 4.297 4.432 . 0 0 "[ . 1 . 2]" 1
1650 2 26 ALA HA 2 29 VAL HA 5.500 . 5.500 5.499 5.425 5.553 0.053 13 0 "[ . 1 . 2]" 1
1651 2 22 ASP QB 2 23 ALA HA 5.200 . 5.200 4.804 4.444 4.975 . 0 0 "[ . 1 . 2]" 1
1652 2 3 TYR QD 2 19 GLU HA 5.200 . 5.200 3.373 3.070 3.580 . 0 0 "[ . 1 . 2]" 1
1653 2 2 GLN HA 2 19 GLU HA 3.600 . 3.600 2.462 2.246 2.605 . 0 0 "[ . 1 . 2]" 1
1654 2 19 GLU HA 2 20 ALA MB 5.000 . 5.000 3.789 3.690 3.844 . 0 0 "[ . 1 . 2]" 1
1655 2 18 THR MG 2 19 GLU HA 5.300 . 5.300 3.597 3.462 3.709 . 0 0 "[ . 1 . 2]" 1
1656 2 11 THR HB 2 12 LEU HA 5.500 . 5.500 4.846 4.602 5.012 . 0 0 "[ . 1 . 2]" 1
1657 2 5 LEU HA 2 6 ILE HA 5.200 . 5.200 4.549 4.534 4.561 . 0 0 "[ . 1 . 2]" 1
1658 2 7 LEU H 2 13 LYS HA 5.500 . 5.500 4.873 4.699 5.004 . 0 0 "[ . 1 . 2]" 1
1659 2 7 LEU HA 2 54 VAL HB 4.600 . 4.600 2.853 2.444 4.705 0.105 16 0 "[ . 1 . 2]" 1
1660 2 7 LEU HA 2 7 LEU MD1 4.700 . 4.700 2.276 2.132 3.730 . 0 0 "[ . 1 . 2]" 1
1661 2 5 LEU HA 2 52 PHE QD 5.300 . 5.300 4.164 4.050 4.348 . 0 0 "[ . 1 . 2]" 1
1662 2 4 LYS HA 2 5 LEU HA 5.500 . 5.500 4.549 4.529 4.566 . 0 0 "[ . 1 . 2]" 1
1663 2 22 ASP HA 2 25 THR H 5.500 . 5.500 4.773 4.670 4.884 . 0 0 "[ . 1 . 2]" 1
1664 2 8 ASN HA 2 9 GLY HA2 5.300 . 5.300 4.512 4.461 4.556 . 0 0 "[ . 1 . 2]" 1
1665 2 8 ASN HA 2 13 LYS QD 4.700 . 4.700 3.881 3.085 4.545 . 0 0 "[ . 1 . 2]" 1
1666 2 20 ALA HA 2 21 VAL HA 5.100 . 5.100 4.354 4.293 4.426 . 0 0 "[ . 1 . 2]" 1
1667 1 16 THR HA 2 14 GLY HA3 4.100 . 4.100 2.368 2.268 2.502 . 0 0 "[ . 1 . 2]" 1
1668 1 14 GLY HA3 2 16 THR HA 4.400 . 4.400 2.306 2.194 2.450 . 0 0 "[ . 1 . 2]" 1
1669 1 16 THR MG 2 14 GLY HA3 4.900 . 4.900 2.373 2.229 2.525 . 0 0 "[ . 1 . 2]" 1
1670 2 12 LEU QB 2 13 LYS H 4.900 . 4.900 3.602 3.553 3.634 . 0 0 "[ . 1 . 2]" 1
1671 2 11 THR HB 2 12 LEU QB 5.500 . 5.500 3.514 3.199 3.771 . 0 0 "[ . 1 . 2]" 1
1672 2 41 GLY HA2 2 56 GLU QG 5.100 . 5.100 3.875 2.652 4.957 . 0 0 "[ . 1 . 2]" 1
1673 2 41 GLY HA3 2 56 GLU QG 5.200 . 5.200 3.851 2.211 4.582 . 0 0 "[ . 1 . 2]" 1
1674 2 9 GLY HA2 2 56 GLU H 4.900 . 4.900 3.251 3.028 3.562 . 0 0 "[ . 1 . 2]" 1
1675 2 9 GLY HA2 2 56 GLU QG 4.800 . 4.800 2.986 2.404 4.138 . 0 0 "[ . 1 . 2]" 1
1676 2 9 GLY HA2 2 56 GLU QB 4.500 . 4.500 2.429 2.066 2.875 . 0 0 "[ . 1 . 2]" 1
1677 2 9 GLY HA3 2 11 THR H 5.500 . 5.500 3.698 3.262 4.025 . 0 0 "[ . 1 . 2]" 1
1678 2 9 GLY HA3 2 56 GLU H 5.000 . 5.000 4.372 3.766 4.898 . 0 0 "[ . 1 . 2]" 1
1679 2 9 GLY HA3 2 56 GLU QG 5.200 . 5.200 3.396 2.338 4.681 . 0 0 "[ . 1 . 2]" 1
1680 2 9 GLY HA3 2 56 GLU QB 4.800 . 4.800 3.613 2.435 4.331 . 0 0 "[ . 1 . 2]" 1
1681 2 3 TYR HB3 2 52 PHE QD 4.900 . 4.900 3.236 3.104 3.350 . 0 0 "[ . 1 . 2]" 1
1682 2 3 TYR HB3 2 4 LYS QB 5.500 . 5.500 4.723 4.658 4.805 . 0 0 "[ . 1 . 2]" 1
1683 2 3 TYR HB3 2 26 ALA MB 3.900 . 3.900 2.546 2.439 2.672 . 0 0 "[ . 1 . 2]" 1
1684 2 3 TYR HB3 2 18 THR MG 4.100 . 4.100 3.507 3.318 3.676 . 0 0 "[ . 1 . 2]" 1
1685 2 2 GLN HA 2 3 TYR HB2 5.000 . 5.000 4.585 4.497 4.631 . 0 0 "[ . 1 . 2]" 1
1686 2 46 ASP HB2 2 51 THR HB 5.100 . 5.100 3.680 3.233 4.286 . 0 0 "[ . 1 . 2]" 1
1687 2 46 ASP H 2 46 ASP HB3 4.100 . 4.100 3.315 2.617 3.763 . 0 0 "[ . 1 . 2]" 1
1688 2 46 ASP HB3 2 51 THR HB 5.100 . 5.100 4.110 2.531 4.970 . 0 0 "[ . 1 . 2]" 1
1689 2 7 LEU HB2 2 14 GLY H 4.800 . 4.800 4.230 4.146 4.336 . 0 0 "[ . 1 . 2]" 1
1690 2 7 LEU HB2 2 13 LYS HA 5.500 . 5.500 5.020 4.821 5.301 . 0 0 "[ . 1 . 2]" 1
1691 2 21 VAL MG1 2 22 ASP QB 4.700 . 4.700 2.945 2.740 3.461 . 0 0 "[ . 1 . 2]" 1
1692 2 21 VAL HA 2 22 ASP QB 5.200 . 5.200 4.695 4.600 5.251 0.051 9 0 "[ . 1 . 2]" 1
1693 2 10 LYS HA 2 10 LYS QE 5.200 . 5.200 4.192 1.882 5.181 . 0 0 "[ . 1 . 2]" 1
1694 2 4 LYS QB 2 4 LYS HE2 4.800 . 4.800 3.858 2.250 3.979 . 0 0 "[ . 1 . 2]" 1
1695 2 46 ASP HA 2 47 ASP HB2 5.500 . 5.500 4.504 4.381 5.596 0.096 11 0 "[ . 1 . 2]" 1
1696 2 4 LYS QB 2 4 LYS HE3 4.800 . 4.800 3.927 2.644 4.017 . 0 0 "[ . 1 . 2]" 1
1697 2 46 ASP HA 2 47 ASP HB3 5.500 . 5.500 4.685 4.394 4.838 . 0 0 "[ . 1 . 2]" 1
1698 2 40 ASP HB2 2 41 GLY H 5.500 . 5.500 4.566 4.201 4.645 . 0 0 "[ . 1 . 2]" 1
1699 2 36 ASP QB 2 40 ASP HA 5.100 . 5.100 4.732 3.216 5.120 0.020 16 0 "[ . 1 . 2]" 1
1700 2 30 PHE HB2 2 43 TRP HZ3 5.100 . 5.100 2.715 2.548 2.961 . 0 0 "[ . 1 . 2]" 1
1701 2 30 PHE HB3 2 43 TRP HZ3 5.400 . 5.400 2.905 2.579 3.410 . 0 0 "[ . 1 . 2]" 1
1702 2 30 PHE HB3 2 43 TRP HH2 4.100 . 4.100 2.493 2.329 2.721 . 0 0 "[ . 1 . 2]" 1
1703 2 8 ASN HB2 2 55 THR HA 3.600 . 3.600 2.185 2.088 2.276 . 0 0 "[ . 1 . 2]" 1
1704 2 8 ASN HB2 2 53 THR MG 5.300 . 5.300 4.359 4.272 4.518 . 0 0 "[ . 1 . 2]" 1
1705 2 8 ASN HB3 2 55 THR HA 4.400 . 4.400 3.841 3.715 3.946 . 0 0 "[ . 1 . 2]" 1
1706 2 8 ASN HB3 2 55 THR MG 4.200 . 4.200 3.300 3.134 3.446 . 0 0 "[ . 1 . 2]" 1
1707 2 8 ASN HB3 2 53 THR MG 5.500 . 5.500 5.227 5.147 5.393 . 0 0 "[ . 1 . 2]" 1
1708 2 6 ILE MG 2 8 ASN HB3 5.000 . 5.000 5.031 5.009 5.072 0.072 19 0 "[ . 1 . 2]" 1
1709 2 6 ILE HB 2 15 GLU QG 5.500 . 5.500 4.598 4.440 4.768 . 0 0 "[ . 1 . 2]" 1
1710 2 6 ILE HB 2 53 THR MG 4.000 . 4.000 2.354 2.295 2.393 . 0 0 "[ . 1 . 2]" 1
1711 2 8 ASN HA 2 13 LYS HB3 4.600 . 4.600 3.782 3.226 4.104 . 0 0 "[ . 1 . 2]" 1
1712 2 42 GLU H 2 42 GLU HG2 5.500 . 5.500 4.549 4.469 4.678 . 0 0 "[ . 1 . 2]" 1
1713 2 42 GLU HA 2 42 GLU HG2 4.100 . 4.100 3.390 3.145 3.803 . 0 0 "[ . 1 . 2]" 1
1714 2 42 GLU HA 2 42 GLU HG3 4.100 . 4.100 2.705 2.459 3.180 . 0 0 "[ . 1 . 2]" 1
1715 2 6 ILE HG12 2 15 GLU QG 5.000 . 5.000 2.540 2.335 2.710 . 0 0 "[ . 1 . 2]" 1
1716 2 6 ILE MD 2 15 GLU QG 4.600 . 4.600 3.766 3.610 3.901 . 0 0 "[ . 1 . 2]" 1
1717 2 19 GLU H 2 19 GLU HG3 5.500 . 5.500 4.739 4.098 4.994 . 0 0 "[ . 1 . 2]" 1
1718 2 27 GLU QG 2 28 LYS H 4.800 . 4.800 3.874 2.665 4.489 . 0 0 "[ . 1 . 2]" 1
1719 2 2 GLN HA 2 2 GLN HG2 4.000 . 4.000 3.705 3.519 3.730 . 0 0 "[ . 1 . 2]" 1
1720 2 2 GLN HA 2 2 GLN HG3 4.000 . 4.000 2.576 2.359 2.627 . 0 0 "[ . 1 . 2]" 1
1721 2 2 GLN HG3 2 17 THR HB 5.100 . 5.100 4.689 4.607 4.754 . 0 0 "[ . 1 . 2]" 1
1722 2 4 LYS QD 2 15 GLU QB 5.500 . 5.500 4.503 2.924 4.751 . 0 0 "[ . 1 . 2]" 1
1723 2 4 LYS QG 2 15 GLU QB 4.500 . 4.500 3.669 3.256 3.836 . 0 0 "[ . 1 . 2]" 1
1724 2 15 GLU QB 2 16 THR MG 5.400 . 5.400 4.340 4.290 4.373 . 0 0 "[ . 1 . 2]" 1
1725 2 6 ILE MD 2 15 GLU QB 5.200 . 5.200 5.017 4.870 5.208 0.008 12 0 "[ . 1 . 2]" 1
1726 2 1 MET HB3 2 3 TYR QE 5.500 . 5.500 2.736 2.265 4.829 . 0 0 "[ . 1 . 2]" 1
1727 2 6 ILE HA 2 15 GLU QB 4.900 . 4.900 3.893 3.705 4.022 . 0 0 "[ . 1 . 2]" 1
1728 2 10 LYS QB 2 11 THR HA 4.800 . 4.800 4.221 4.054 4.563 . 0 0 "[ . 1 . 2]" 1
1729 2 20 ALA HA 2 21 VAL HB 5.500 . 5.500 4.629 4.536 4.706 . 0 0 "[ . 1 . 2]" 1
1730 2 21 VAL HB 2 25 THR MG 5.300 . 5.300 4.266 4.190 4.380 . 0 0 "[ . 1 . 2]" 1
1731 2 10 LYS H 2 56 GLU QB 4.500 . 4.500 3.567 3.058 3.991 . 0 0 "[ . 1 . 2]" 1
1732 2 10 LYS QG 2 56 GLU QB 4.900 . 4.900 3.255 2.364 4.060 . 0 0 "[ . 1 . 2]" 1
1733 2 1 MET HG2 2 2 GLN H 5.200 . 5.200 3.631 2.276 4.549 . 0 0 "[ . 1 . 2]" 1
1734 2 1 MET HG2 2 3 TYR QE 5.500 . 5.500 3.846 2.618 4.616 . 0 0 "[ . 1 . 2]" 1
1735 2 1 MET HG2 2 50 LYS HE2 5.500 . 5.500 4.673 3.158 5.512 0.012 8 0 "[ . 1 . 2]" 1
1736 2 1 MET HG2 2 50 LYS HE3 5.500 . 5.500 3.897 2.919 5.522 0.022 18 0 "[ . 1 . 2]" 1
1737 2 42 GLU H 2 42 GLU HB2 4.200 . 4.200 2.636 2.578 2.727 . 0 0 "[ . 1 . 2]" 1
1738 2 1 MET HA 2 2 GLN QB 5.500 . 5.500 4.105 4.058 4.295 . 0 0 "[ . 1 . 2]" 1
1739 2 2 GLN QB 2 17 THR MG 5.000 . 5.000 3.924 3.841 4.040 . 0 0 "[ . 1 . 2]" 1
1740 2 3 TYR H 2 19 GLU QB 4.900 . 4.900 4.502 4.198 4.955 0.055 3 0 "[ . 1 . 2]" 1
1741 2 2 GLN HE22 2 19 GLU QB 5.000 . 5.000 2.662 2.238 3.670 . 0 0 "[ . 1 . 2]" 1
1742 2 2 GLN HA 2 19 GLU QB 4.000 . 4.000 3.264 2.820 4.014 0.014 3 0 "[ . 1 . 2]" 1
1743 2 1 MET HA 2 19 GLU QB 5.500 . 5.500 5.445 5.112 5.581 0.081 2 0 "[ . 1 . 2]" 1
1744 2 17 THR MG 2 19 GLU QB 5.500 . 5.500 4.947 4.794 5.548 0.048 3 0 "[ . 1 . 2]" 1
1745 2 43 TRP QB 2 43 TRP HE3 3.800 . 3.800 2.498 2.481 2.520 . 0 0 "[ . 1 . 2]" 1
1746 2 42 GLU HA 2 43 TRP QB 5.500 . 5.500 4.323 4.245 4.388 . 0 0 "[ . 1 . 2]" 1
1747 2 28 LYS QB 2 28 LYS QD 3.400 . 3.400 2.217 2.108 2.396 . 0 0 "[ . 1 . 2]" 1
1748 2 28 LYS H 2 28 LYS QD 5.500 . 5.500 4.510 4.322 4.792 . 0 0 "[ . 1 . 2]" 1
1749 2 25 THR HA 2 28 LYS QD 4.500 . 4.500 3.460 3.031 3.961 . 0 0 "[ . 1 . 2]" 1
1750 2 4 LYS QD 2 6 ILE MD 4.800 . 4.800 3.790 3.535 4.736 . 0 0 "[ . 1 . 2]" 1
1751 2 50 LYS HA 2 50 LYS HD2 4.200 . 4.200 2.804 2.604 3.199 . 0 0 "[ . 1 . 2]" 1
1752 2 32 GLN HB3 2 33 TYR H 5.300 . 5.300 3.017 2.340 3.432 . 0 0 "[ . 1 . 2]" 1
1753 2 32 GLN H 2 32 GLN HB2 4.000 . 4.000 2.160 2.030 2.330 . 0 0 "[ . 1 . 2]" 1
1754 2 29 VAL HA 2 32 GLN HB2 4.700 . 4.700 2.631 2.427 2.941 . 0 0 "[ . 1 . 2]" 1
1755 2 6 ILE HG12 2 53 THR HA 5.400 . 5.400 5.143 5.077 5.198 . 0 0 "[ . 1 . 2]" 1
1756 2 6 ILE H 2 6 ILE HG13 5.200 . 5.200 2.527 2.345 2.682 . 0 0 "[ . 1 . 2]" 1
1757 2 7 LEU HA 2 7 LEU HG 4.000 . 4.000 3.107 2.520 3.273 . 0 0 "[ . 1 . 2]" 1
1758 2 6 ILE HG13 2 15 GLU QG 5.100 . 5.100 4.090 3.805 4.263 . 0 0 "[ . 1 . 2]" 1
1759 2 4 LYS QD 2 6 ILE HG13 5.400 . 5.400 4.162 3.977 4.801 . 0 0 "[ . 1 . 2]" 1
1760 2 12 LEU H 2 12 LEU HG 5.200 . 5.200 4.734 4.569 4.860 . 0 0 "[ . 1 . 2]" 1
1761 2 7 LEU H 2 7 LEU HG 5.500 . 5.500 4.216 4.068 4.406 . 0 0 "[ . 1 . 2]" 1
1762 2 7 LEU HG 2 13 LYS HA 5.200 . 5.200 2.928 2.480 5.059 . 0 0 "[ . 1 . 2]" 1
1763 2 5 LEU MD1 2 6 ILE HG13 5.500 . 5.500 4.844 4.714 5.025 . 0 0 "[ . 1 . 2]" 1
1764 2 5 LEU MD2 2 6 ILE HG13 5.500 . 5.500 4.962 4.576 5.205 . 0 0 "[ . 1 . 2]" 1
1765 2 4 LYS QG 2 6 ILE MD 5.000 . 5.000 4.181 3.960 4.694 . 0 0 "[ . 1 . 2]" 1
1766 2 8 ASN HA 2 13 LYS QG 4.300 . 4.300 2.633 2.199 3.286 . 0 0 "[ . 1 . 2]" 1
1767 2 4 LYS QG 2 6 ILE HA 5.500 . 5.500 4.613 4.436 4.795 . 0 0 "[ . 1 . 2]" 1
1768 2 13 LYS QD 2 13 LYS QG 2.800 . 2.800 2.087 2.006 2.128 . 0 0 "[ . 1 . 2]" 1
1769 2 7 LEU MD2 2 8 ASN H 5.500 . 5.500 4.472 2.807 4.698 . 0 0 "[ . 1 . 2]" 1
1770 2 7 LEU H 2 7 LEU MD2 5.200 . 5.200 4.161 3.946 4.238 . 0 0 "[ . 1 . 2]" 1
1771 2 7 LEU HA 2 7 LEU MD2 4.700 . 4.700 3.862 3.181 3.980 . 0 0 "[ . 1 . 2]" 1
1772 2 3 TYR H 2 20 ALA MB 5.500 . 5.500 4.715 4.485 4.947 . 0 0 "[ . 1 . 2]" 1
1773 2 3 TYR QD 2 20 ALA MB 4.000 . 4.000 2.607 2.367 2.861 . 0 0 "[ . 1 . 2]" 1
1774 2 3 TYR QE 2 20 ALA MB 4.600 . 4.600 2.944 2.685 3.303 . 0 0 "[ . 1 . 2]" 1
1775 2 20 ALA MB 2 22 ASP HA 5.000 . 5.000 4.426 4.107 4.651 . 0 0 "[ . 1 . 2]" 1
1776 2 20 ALA MB 2 25 THR HB 3.900 . 3.900 2.063 2.007 2.108 . 0 0 "[ . 1 . 2]" 1
1777 2 20 ALA MB 2 25 THR HA 5.500 . 5.500 4.192 4.123 4.245 . 0 0 "[ . 1 . 2]" 1
1778 2 20 ALA MB 2 26 ALA HA 3.900 . 3.900 2.653 2.537 2.818 . 0 0 "[ . 1 . 2]" 1
1779 2 20 ALA MB 2 29 VAL HB 5.300 . 5.300 4.327 4.187 4.480 . 0 0 "[ . 1 . 2]" 1
1780 2 20 ALA MB 2 26 ALA MB 3.500 . 3.500 2.145 2.035 2.289 . 0 0 "[ . 1 . 2]" 1
1781 2 18 THR MG 2 20 ALA MB 3.800 . 3.800 2.690 2.595 2.764 . 0 0 "[ . 1 . 2]" 1
1782 2 11 THR MG 2 12 LEU H 5.200 . 5.200 3.758 3.175 4.214 . 0 0 "[ . 1 . 2]" 1
1783 1 13 LYS H 2 16 THR MG 5.500 . 5.500 5.048 4.917 5.191 . 0 0 "[ . 1 . 2]" 1
1784 1 16 THR MG 2 13 LYS H 5.500 . 5.500 5.158 5.053 5.301 . 0 0 "[ . 1 . 2]" 1
1785 2 16 THR MG 2 17 THR H 5.000 . 5.000 3.908 3.877 3.996 . 0 0 "[ . 1 . 2]" 1
1786 1 16 THR MG 2 14 GLY HA2 4.900 . 4.900 3.751 3.550 3.915 . 0 0 "[ . 1 . 2]" 1
1787 2 5 LEU HB3 2 16 THR MG 3.500 . 3.500 3.527 3.492 3.556 0.056 18 0 "[ . 1 . 2]" 1
1788 2 44 THR H 2 44 THR MG 4.500 . 4.500 4.001 3.949 4.028 . 0 0 "[ . 1 . 2]" 1
1789 2 44 THR HA 2 44 THR MG 3.500 . 3.500 2.364 2.241 2.423 . 0 0 "[ . 1 . 2]" 1
1790 2 29 VAL MG2 2 33 TYR QE 5.500 . 5.500 4.668 4.375 4.990 . 0 0 "[ . 1 . 2]" 1
1791 2 29 VAL HA 2 29 VAL MG2 3.700 . 3.700 2.348 2.319 2.375 . 0 0 "[ . 1 . 2]" 1
1792 2 26 ALA HA 2 29 VAL MG2 5.300 . 5.300 3.316 3.169 3.410 . 0 0 "[ . 1 . 2]" 1
1793 2 18 THR MG 2 29 VAL MG2 4.200 . 4.200 3.476 3.072 3.840 . 0 0 "[ . 1 . 2]" 1
1794 2 21 VAL H 2 25 THR MG 4.000 . 4.000 2.756 2.666 2.831 . 0 0 "[ . 1 . 2]" 1
1795 2 22 ASP H 2 25 THR MG 5.200 . 5.200 3.803 3.695 3.906 . 0 0 "[ . 1 . 2]" 1
1796 2 8 ASN HD22 2 55 THR MG 5.300 . 5.300 4.672 4.398 4.836 . 0 0 "[ . 1 . 2]" 1
1797 2 55 THR HA 2 55 THR MG 3.500 . 3.500 2.421 2.389 2.448 . 0 0 "[ . 1 . 2]" 1
1798 2 8 ASN HB2 2 55 THR MG 3.700 . 3.700 2.487 2.401 2.602 . 0 0 "[ . 1 . 2]" 1
1799 2 20 ALA MB 2 25 THR MG 2.800 . 2.800 2.319 2.228 2.442 . 0 0 "[ . 1 . 2]" 1
1800 2 4 LYS HA 2 17 THR MG 3.800 . 3.800 2.824 2.730 2.937 . 0 0 "[ . 1 . 2]" 1
1801 2 3 TYR HA 2 17 THR MG 5.300 . 5.300 4.443 4.352 4.576 . 0 0 "[ . 1 . 2]" 1
1802 2 2 GLN HG2 2 17 THR MG 4.200 . 4.200 2.705 2.554 2.831 . 0 0 "[ . 1 . 2]" 1
1803 2 2 GLN HG3 2 17 THR MG 4.200 . 4.200 2.211 2.174 2.277 . 0 0 "[ . 1 . 2]" 1
1804 2 4 LYS QB 2 17 THR MG 3.600 . 3.600 2.606 2.389 2.693 . 0 0 "[ . 1 . 2]" 1
1805 2 4 LYS QD 2 17 THR MG 3.900 . 3.900 3.642 3.161 3.750 . 0 0 "[ . 1 . 2]" 1
1806 2 25 THR MG 2 26 ALA H 4.800 . 4.800 3.493 3.394 3.615 . 0 0 "[ . 1 . 2]" 1
1807 2 20 ALA HA 2 25 THR MG 5.200 . 5.200 3.296 2.929 3.593 . 0 0 "[ . 1 . 2]" 1
1808 2 25 THR HA 2 25 THR MG 3.500 . 3.500 2.363 2.314 2.416 . 0 0 "[ . 1 . 2]" 1
1809 2 51 THR MG 2 52 PHE H 4.200 . 4.200 2.402 2.324 2.495 . 0 0 "[ . 1 . 2]" 1
1810 2 4 LYS QB 2 51 THR MG 3.700 . 3.700 2.395 2.328 2.505 . 0 0 "[ . 1 . 2]" 1
1811 2 4 LYS QD 2 51 THR MG 4.100 . 4.100 2.704 2.519 3.920 . 0 0 "[ . 1 . 2]" 1
1812 2 4 LYS QG 2 51 THR MG 3.300 . 3.300 2.757 2.564 3.163 . 0 0 "[ . 1 . 2]" 1
1813 2 53 THR HA 2 53 THR MG 3.700 . 3.700 2.389 2.372 2.416 . 0 0 "[ . 1 . 2]" 1
1814 2 29 VAL MG1 2 33 TYR QE 5.500 . 5.500 2.885 2.499 3.181 . 0 0 "[ . 1 . 2]" 1
1815 2 53 THR MG 2 54 VAL H 3.300 . 3.300 2.609 2.461 2.811 . 0 0 "[ . 1 . 2]" 1
1816 2 21 VAL MG2 2 22 ASP QB 4.700 . 4.700 3.011 2.825 3.778 . 0 0 "[ . 1 . 2]" 1
1817 2 26 ALA HA 2 29 VAL MG1 5.300 . 5.300 4.195 4.035 4.282 . 0 0 "[ . 1 . 2]" 1
1818 2 18 THR MG 2 29 VAL MG1 4.200 . 4.200 3.041 2.770 3.566 . 0 0 "[ . 1 . 2]" 1
1819 2 43 TRP HD1 2 54 VAL MG2 5.400 . 5.400 4.032 2.930 4.336 . 0 0 "[ . 1 . 2]" 1
1820 2 41 GLY HA3 2 54 VAL MG2 5.500 . 5.500 4.973 3.486 5.519 0.019 19 0 "[ . 1 . 2]" 1
1821 2 43 TRP HD1 2 54 VAL MG1 5.400 . 5.400 3.805 3.211 5.415 0.015 16 0 "[ . 1 . 2]" 1
1822 2 48 ALA MB 2 50 LYS H 5.100 . 5.100 4.633 4.519 4.741 . 0 0 "[ . 1 . 2]" 1
1823 2 48 ALA MB 2 49 THR HB 4.600 . 4.600 4.160 3.651 4.837 0.237 15 0 "[ . 1 . 2]" 1
1824 2 47 ASP HB2 2 48 ALA MB 5.500 . 5.500 5.353 4.982 5.522 0.022 4 0 "[ . 1 . 2]" 1
1825 2 47 ASP HB3 2 48 ALA MB 5.500 . 5.500 4.193 3.967 5.301 . 0 0 "[ . 1 . 2]" 1
1826 2 48 ALA MB 2 49 THR MG 3.700 . 3.700 3.235 2.301 3.751 0.051 5 0 "[ . 1 . 2]" 1
1827 2 3 TYR QD 2 18 THR MG 4.200 . 4.200 3.375 3.132 3.663 . 0 0 "[ . 1 . 2]" 1
1828 2 3 TYR HB2 2 18 THR MG 3.800 . 3.800 2.377 2.194 2.517 . 0 0 "[ . 1 . 2]" 1
1829 2 18 THR MG 2 29 VAL HB 4.400 . 4.400 2.835 2.585 3.219 . 0 0 "[ . 1 . 2]" 1
1830 2 17 THR MG 2 18 THR MG 5.100 . 5.100 4.161 4.042 4.367 . 0 0 "[ . 1 . 2]" 1
1831 2 18 THR MG 2 26 ALA MB 3.600 . 3.600 2.457 2.207 2.614 . 0 0 "[ . 1 . 2]" 1
1832 2 23 ALA MB 2 27 GLU H 5.200 . 5.200 4.633 4.467 4.769 . 0 0 "[ . 1 . 2]" 1
1833 2 3 TYR QE 2 23 ALA MB 4.600 . 4.600 2.421 2.313 2.637 . 0 0 "[ . 1 . 2]" 1
1834 2 22 ASP HA 2 23 ALA MB 5.000 . 5.000 4.098 4.041 4.153 . 0 0 "[ . 1 . 2]" 1
1835 2 23 ALA MB 2 24 ALA HA 4.900 . 4.900 3.997 3.906 4.045 . 0 0 "[ . 1 . 2]" 1
1836 2 22 ASP QB 2 23 ALA MB 4.600 . 4.600 4.111 3.625 4.312 . 0 0 "[ . 1 . 2]" 1
1837 2 3 TYR QD 2 26 ALA MB 3.800 . 3.800 2.532 2.319 2.654 . 0 0 "[ . 1 . 2]" 1
1838 2 3 TYR HB2 2 26 ALA MB 3.800 . 3.800 2.178 2.113 2.252 . 0 0 "[ . 1 . 2]" 1
1839 2 6 ILE MG 2 8 ASN HA 5.500 . 5.500 4.665 4.545 4.768 . 0 0 "[ . 1 . 2]" 1
1840 2 6 ILE MG 2 53 THR HA 4.700 . 4.700 3.895 3.822 3.960 . 0 0 "[ . 1 . 2]" 1
1841 2 6 ILE HA 2 6 ILE MG 3.600 . 3.600 2.398 2.379 2.415 . 0 0 "[ . 1 . 2]" 1
1842 2 6 ILE MG 2 8 ASN HB2 5.300 . 5.300 4.954 4.892 5.024 . 0 0 "[ . 1 . 2]" 1
1843 2 6 ILE MG 2 53 THR MG 3.200 . 3.200 2.753 2.651 2.837 . 0 0 "[ . 1 . 2]" 1
1844 2 24 ALA MB 2 25 THR HA 5.200 . 5.200 4.104 4.067 4.171 . 0 0 "[ . 1 . 2]" 1
1845 2 22 ASP QB 2 24 ALA MB 5.200 . 5.200 3.223 2.762 3.847 . 0 0 "[ . 1 . 2]" 1
1846 2 1 MET HB2 2 3 TYR QE 5.500 . 5.500 4.128 2.431 5.137 . 0 0 "[ . 1 . 2]" 1
1847 2 45 TYR QE 2 50 LYS HA 4.200 . 4.200 2.700 2.492 3.014 . 0 0 "[ . 1 . 2]" 1
1848 2 16 THR MG 2 30 PHE QE 5.500 . 5.500 4.715 4.412 5.058 . 0 0 "[ . 1 . 2]" 1
1849 2 28 LYS H 2 29 VAL HA 5.500 . 5.500 5.359 5.279 5.435 . 0 0 "[ . 1 . 2]" 1
1850 2 29 VAL HA 2 33 TYR QE 5.500 . 5.500 4.753 4.324 5.097 . 0 0 "[ . 1 . 2]" 1
1851 2 25 THR HA 2 29 VAL H 5.500 . 5.500 3.929 3.846 4.032 . 0 0 "[ . 1 . 2]" 1
1852 2 30 PHE HB2 2 43 TRP HH2 5.500 . 5.500 3.080 2.668 3.374 . 0 0 "[ . 1 . 2]" 1
1853 2 41 GLY HA3 2 54 VAL MG1 5.500 . 5.500 2.980 2.238 5.577 0.077 18 0 "[ . 1 . 2]" 1
1854 2 3 TYR HB3 2 20 ALA MB 5.500 . 5.500 4.922 4.559 5.288 . 0 0 "[ . 1 . 2]" 1
1855 2 5 LEU HB2 2 30 PHE QD 5.500 . 5.500 3.154 3.098 3.250 . 0 0 "[ . 1 . 2]" 1
1856 2 5 LEU HB2 2 30 PHE QE 5.200 . 5.200 3.070 2.973 3.147 . 0 0 "[ . 1 . 2]" 1
1857 2 5 LEU HB3 2 30 PHE QE 5.400 . 5.400 3.597 3.402 3.892 . 0 0 "[ . 1 . 2]" 1
1858 2 7 LEU HB3 2 8 ASN H 5.500 . 5.500 4.234 4.170 4.341 . 0 0 "[ . 1 . 2]" 1
1859 2 8 ASN HB2 2 9 GLY HA2 5.500 . 5.500 4.692 4.583 4.825 . 0 0 "[ . 1 . 2]" 1
1860 2 8 ASN HB3 2 9 GLY HA2 5.500 . 5.500 4.741 4.586 4.999 . 0 0 "[ . 1 . 2]" 1
1861 2 8 ASN H 2 54 VAL HB 5.500 . 5.500 3.686 3.273 5.350 . 0 0 "[ . 1 . 2]" 1
1862 2 6 ILE HG12 2 7 LEU H 5.500 . 5.500 4.815 4.708 4.950 . 0 0 "[ . 1 . 2]" 1
1863 2 1 MET QG 2 2 GLN H 3.500 . 3.500 2.636 2.133 3.423 . 0 0 "[ . 1 . 2]" 1
1864 2 1 MET QG 2 3 TYR QE 5.300 . 5.300 3.451 2.483 4.340 . 0 0 "[ . 1 . 2]" 1
1865 2 1 MET QG 2 50 LYS QD 5.200 . 5.200 3.944 3.509 4.855 . 0 0 "[ . 1 . 2]" 1
1866 2 1 MET QG 2 50 LYS QE 4.800 . 4.800 3.367 2.821 4.039 . 0 0 "[ . 1 . 2]" 1
1867 1 29 VAL QG 2 11 THR HB 4.800 . 4.800 3.601 2.519 4.468 . 0 0 "[ . 1 . 2]" 1
1868 1 29 VAL QG 2 11 THR MG 3.800 . 3.800 2.964 2.063 3.822 0.022 9 0 "[ . 1 . 2]" 1
1869 1 16 THR HB 2 12 LEU QD 4.900 . 4.900 2.229 2.102 2.314 . 0 0 "[ . 1 . 2]" 1
1870 1 16 THR MG 2 12 LEU QD 4.300 . 4.300 2.394 2.282 2.552 . 0 0 "[ . 1 . 2]" 1
1871 1 17 THR H 2 12 LEU QD 5.400 . 5.400 3.196 2.894 3.641 . 0 0 "[ . 1 . 2]" 1
1872 1 18 THR HB 2 12 LEU QD . . 3.800 2.260 2.023 2.749 . 0 0 "[ . 1 . 2]" 1
1873 1 30 PHE QE 2 12 LEU QD 3.600 . 3.600 2.239 2.084 2.628 . 0 0 "[ . 1 . 2]" 1
1874 1 16 THR MG 2 14 GLY QA 4.300 . 4.300 2.348 2.210 2.494 . 0 0 "[ . 1 . 2]" 1
1875 1 14 GLY QA 2 16 THR HA . . 3.500 2.160 2.103 2.206 . 0 0 "[ . 1 . 2]" 1
1876 1 12 LEU QD 2 16 THR HB 4.600 . 4.600 2.271 2.079 2.562 . 0 0 "[ . 1 . 2]" 1
1877 1 12 LEU QD 2 16 THR MG 3.900 . 3.900 2.406 2.314 2.553 . 0 0 "[ . 1 . 2]" 1
1878 1 14 GLY QA 2 16 THR MG 4.200 . 4.200 2.349 2.165 2.620 . 0 0 "[ . 1 . 2]" 1
1879 1 12 LEU QD 2 17 THR H 5.100 . 5.100 3.166 2.937 3.512 . 0 0 "[ . 1 . 2]" 1
1880 1 12 LEU QD 2 18 THR HB . . 3.800 2.331 2.061 2.861 . 0 0 "[ . 1 . 2]" 1
1881 1 11 THR HB 2 29 VAL QG 4.500 . 4.500 3.463 2.367 4.396 . 0 0 "[ . 1 . 2]" 1
1882 1 11 THR MG 2 29 VAL QG 3.600 . 3.600 2.970 2.068 3.619 0.019 16 0 "[ . 1 . 2]" 1
1883 1 12 LEU QD 2 30 PHE QE 3.600 . 3.600 2.249 2.105 2.506 . 0 0 "[ . 1 . 2]" 1
1884 1 37 ASN QB 2 33 TYR HA 4.800 . 4.800 2.729 2.120 3.327 . 0 0 "[ . 1 . 2]" 1
1885 1 37 ASN QB 2 33 TYR QB 4.800 . 4.800 4.237 3.700 4.765 . 0 0 "[ . 1 . 2]" 1
1886 1 39 VAL QG 2 33 TYR QD 5.400 . 5.400 4.161 3.600 4.642 . 0 0 "[ . 1 . 2]" 1
1887 1 39 VAL QG 2 33 TYR QE 4.500 . 4.500 2.642 2.140 3.462 . 0 0 "[ . 1 . 2]" 1
1888 1 33 TYR HA 2 37 ASN QB 5.100 . 5.100 3.281 2.746 4.091 . 0 0 "[ . 1 . 2]" 1
1889 1 33 TYR QB 2 37 ASN QB 4.700 . 4.700 4.310 3.854 4.785 0.085 9 0 "[ . 1 . 2]" 1
1890 1 33 TYR HA 2 37 ASN QD 4.800 . 4.800 2.572 2.053 3.593 . 0 0 "[ . 1 . 2]" 1
1891 2 39 VAL QG 2 41 GLY QA 5.100 . 5.100 2.997 2.335 4.396 . 0 0 "[ . 1 . 2]" 1
1892 1 33 TYR QD 2 39 VAL QG 5.400 . 5.400 4.225 3.668 4.745 . 0 0 "[ . 1 . 2]" 1
1893 1 33 TYR QE 2 39 VAL QG 4.500 . 4.500 2.573 2.080 3.365 . 0 0 "[ . 1 . 2]" 1
1894 2 41 GLY QA 2 42 GLU H 2.900 . 2.900 2.203 2.107 2.234 . 0 0 "[ . 1 . 2]" 1
1895 2 41 GLY QA 2 54 VAL QG 4.500 . 4.500 2.724 2.215 3.485 . 0 0 "[ . 1 . 2]" 1
1896 2 41 GLY QA 2 55 THR H 5.100 . 5.100 3.099 2.505 3.852 . 0 0 "[ . 1 . 2]" 1
1897 2 41 GLY QA 2 56 GLU QG 4.600 . 4.600 3.410 2.107 3.931 . 0 0 "[ . 1 . 2]" 1
1898 2 1 MET QB 2 2 GLN H 4.400 . 4.400 3.386 2.157 3.677 . 0 0 "[ . 1 . 2]" 1
1899 2 1 MET QB 2 3 TYR QE 4.700 . 4.700 2.624 2.251 4.425 . 0 0 "[ . 1 . 2]" 1
1900 2 1 MET QB 2 50 LYS QE 4.500 . 4.500 4.488 4.096 4.566 0.066 14 0 "[ . 1 . 2]" 1
1901 2 1 MET HG2 2 50 LYS QD 5.300 . 5.300 4.269 3.813 5.170 . 0 0 "[ . 1 . 2]" 1
1902 2 2 GLN H 2 19 GLU QG 4.600 . 4.600 4.011 3.529 4.574 . 0 0 "[ . 1 . 2]" 1
1903 2 2 GLN HA 2 2 GLN QG 3.300 . 3.300 2.530 2.325 2.577 . 0 0 "[ . 1 . 2]" 1
1904 2 2 GLN HE22 2 2 GLN QG 3.400 . 3.400 3.344 3.314 3.371 . 0 0 "[ . 1 . 2]" 1
1905 2 2 GLN QG 2 3 TYR H 3.500 . 3.500 2.586 2.450 2.695 . 0 0 "[ . 1 . 2]" 1
1906 2 2 GLN QG 2 17 THR HB 4.400 . 4.400 4.352 4.300 4.391 . 0 0 "[ . 1 . 2]" 1
1907 2 2 GLN QG 2 17 THR MG 3.600 . 3.600 2.116 2.077 2.188 . 0 0 "[ . 1 . 2]" 1
1908 2 2 GLN QG 2 18 THR H 4.200 . 4.200 3.544 3.360 3.631 . 0 0 "[ . 1 . 2]" 1
1909 2 3 TYR HA 2 50 LYS QB 4.400 . 4.400 2.688 2.352 2.892 . 0 0 "[ . 1 . 2]" 1
1910 2 3 TYR HA 2 50 LYS QG 5.300 . 5.300 4.476 3.970 4.722 . 0 0 "[ . 1 . 2]" 1
1911 2 3 TYR QD 2 50 LYS QB 4.200 . 4.200 2.605 2.475 2.847 . 0 0 "[ . 1 . 2]" 1
1912 2 3 TYR QD 2 50 LYS QD 5.300 . 5.300 3.705 3.305 5.065 . 0 0 "[ . 1 . 2]" 1
1913 2 4 LYS H 2 50 LYS QB 5.300 . 5.300 3.978 3.673 4.207 . 0 0 "[ . 1 . 2]" 1
1914 2 4 LYS QB 2 4 LYS QE 4.200 . 4.200 3.465 2.133 3.547 . 0 0 "[ . 1 . 2]" 1
1915 2 4 LYS QE 2 6 ILE HG13 4.800 . 4.800 3.423 2.955 3.730 . 0 0 "[ . 1 . 2]" 1
1916 2 4 LYS QE 2 15 GLU QB 4.300 . 4.300 2.660 2.282 4.105 . 0 0 "[ . 1 . 2]" 1
1917 2 4 LYS QE 2 17 THR MG 4.400 . 4.400 4.407 4.356 4.434 0.034 20 0 "[ . 1 . 2]" 1
1918 2 4 LYS QE 2 51 THR MG 5.300 . 5.300 3.451 2.156 3.745 . 0 0 "[ . 1 . 2]" 1
1919 2 5 LEU H 2 5 LEU QD 4.700 . 4.700 3.834 3.798 3.858 . 0 0 "[ . 1 . 2]" 1
1920 2 5 LEU HA 2 5 LEU QD 4.100 . 4.100 2.162 2.116 2.198 . 0 0 "[ . 1 . 2]" 1
1921 2 5 LEU HA 2 52 PHE QB 4.300 . 4.300 2.479 2.408 2.592 . 0 0 "[ . 1 . 2]" 1
1922 2 5 LEU QD 2 6 ILE H 3.700 . 3.700 2.487 2.267 2.754 . 0 0 "[ . 1 . 2]" 1
1923 2 5 LEU QD 2 7 LEU H 5.000 . 5.000 3.400 2.968 3.553 . 0 0 "[ . 1 . 2]" 1
1924 2 5 LEU QD 2 16 THR MG 5.400 . 5.400 3.168 2.792 3.397 . 0 0 "[ . 1 . 2]" 1
1925 2 5 LEU QD 2 30 PHE H 5.400 . 5.400 5.118 4.998 5.448 0.048 16 0 "[ . 1 . 2]" 1
1926 2 5 LEU QD 2 30 PHE HB2 4.500 . 4.500 3.326 3.172 3.680 . 0 0 "[ . 1 . 2]" 1
1927 2 5 LEU QD 2 30 PHE HB3 4.900 . 4.900 2.592 2.435 2.919 . 0 0 "[ . 1 . 2]" 1
1928 2 5 LEU QD 2 30 PHE QD 5.000 . 5.000 2.923 2.690 3.301 . 0 0 "[ . 1 . 2]" 1
1929 2 5 LEU QD 2 30 PHE QE 4.800 . 4.800 3.756 3.563 4.002 . 0 0 "[ . 1 . 2]" 1
1930 2 5 LEU QD 2 43 TRP HE3 5.000 . 5.000 3.579 3.379 3.999 . 0 0 "[ . 1 . 2]" 1
1931 2 5 LEU QD 2 43 TRP HZ3 4.800 . 4.800 2.480 2.315 2.919 . 0 0 "[ . 1 . 2]" 1
1932 2 5 LEU QD 2 43 TRP HH2 5.400 . 5.400 3.070 2.886 3.243 . 0 0 "[ . 1 . 2]" 1
1933 2 5 LEU QD 2 52 PHE H 5.400 . 5.400 3.798 3.733 3.945 . 0 0 "[ . 1 . 2]" 1
1934 2 5 LEU QD 2 52 PHE QB 3.800 . 3.800 2.062 2.004 2.135 . 0 0 "[ . 1 . 2]" 1
1935 2 5 LEU QD 2 53 THR H 4.900 . 4.900 3.918 3.778 4.067 . 0 0 "[ . 1 . 2]" 1
1936 2 5 LEU QD 2 53 THR HA 5.200 . 5.200 3.283 2.955 3.393 . 0 0 "[ . 1 . 2]" 1
1937 2 5 LEU QD 2 54 VAL H 4.900 . 4.900 3.319 3.103 3.435 . 0 0 "[ . 1 . 2]" 1
1938 2 5 LEU QD 2 54 VAL HB 5.300 . 5.300 3.079 2.831 3.416 . 0 0 "[ . 1 . 2]" 1
1939 2 5 LEU QD 2 54 VAL QG 4.200 . 4.200 2.041 1.924 2.429 . 0 0 "[ . 1 . 2]" 1
1940 2 6 ILE H 2 52 PHE QB 4.900 . 4.900 3.778 3.718 3.889 . 0 0 "[ . 1 . 2]" 1
1941 2 7 LEU H 2 7 LEU QD 4.600 . 4.600 3.724 3.608 3.779 . 0 0 "[ . 1 . 2]" 1
1942 2 7 LEU HA 2 7 LEU QD 4.100 . 4.100 2.229 2.122 3.013 . 0 0 "[ . 1 . 2]" 1
1943 2 7 LEU HA 2 54 VAL QG 4.500 . 4.500 3.395 2.151 3.690 . 0 0 "[ . 1 . 2]" 1
1944 2 7 LEU HB2 2 54 VAL QG 5.400 . 5.400 4.280 3.383 4.556 . 0 0 "[ . 1 . 2]" 1
1945 2 7 LEU HG 2 54 VAL QG 5.400 . 5.400 4.680 3.634 5.180 . 0 0 "[ . 1 . 2]" 1
1946 2 7 LEU QD 2 8 ASN H 4.600 . 4.600 2.505 2.188 3.255 . 0 0 "[ . 1 . 2]" 1
1947 2 7 LEU QD 2 9 GLY H 4.700 . 4.700 4.509 2.754 4.720 0.020 6 0 "[ . 1 . 2]" 1
1948 2 7 LEU QD 2 9 GLY HA3 5.400 . 5.400 3.999 3.076 4.342 . 0 0 "[ . 1 . 2]" 1
1949 2 7 LEU QD 2 12 LEU H 5.400 . 5.400 4.458 3.929 5.161 . 0 0 "[ . 1 . 2]" 1
1950 2 7 LEU QD 2 12 LEU QB 4.600 . 4.600 2.791 2.240 3.806 . 0 0 "[ . 1 . 2]" 1
1951 2 7 LEU QD 2 12 LEU HG 4.100 . 4.100 3.077 2.343 4.163 0.063 3 0 "[ . 1 . 2]" 1
1952 2 7 LEU QD 2 12 LEU QD 4.100 . 4.100 2.088 1.929 2.207 . 0 0 "[ . 1 . 2]" 1
1953 2 7 LEU QD 2 13 LYS H 5.400 . 5.400 4.038 3.627 4.671 . 0 0 "[ . 1 . 2]" 1
1954 2 7 LEU QD 2 14 GLY H 5.000 . 5.000 3.461 2.998 3.762 . 0 0 "[ . 1 . 2]" 1
1955 2 7 LEU QD 2 15 GLU H 5.400 . 5.400 4.982 4.658 5.094 . 0 0 "[ . 1 . 2]" 1
1956 2 7 LEU QD 2 34 PHE QD 4.900 . 4.900 2.993 2.727 3.623 . 0 0 "[ . 1 . 2]" 1
1957 2 7 LEU QD 2 34 PHE QE 4.000 . 4.000 2.590 2.201 3.376 . 0 0 "[ . 1 . 2]" 1
1958 2 8 ASN H 2 54 VAL QG 5.000 . 5.000 3.622 2.553 4.025 . 0 0 "[ . 1 . 2]" 1
1959 2 12 LEU QD 2 13 LYS H 4.800 . 4.800 2.701 2.358 2.974 . 0 0 "[ . 1 . 2]" 1
1960 2 14 GLY QA 2 15 GLU H 3.000 . 3.000 2.196 2.181 2.213 . 0 0 "[ . 1 . 2]" 1
1961 2 14 GLY QA 2 15 GLU QB 5.300 . 5.300 4.057 4.011 4.161 . 0 0 "[ . 1 . 2]" 1
1962 2 18 THR HB 2 29 VAL QG 4.500 . 4.500 3.030 2.756 3.329 . 0 0 "[ . 1 . 2]" 1
1963 2 18 THR MG 2 29 VAL QG 3.500 . 3.500 2.856 2.578 3.283 . 0 0 "[ . 1 . 2]" 1
1964 2 19 GLU H 2 19 GLU QG 4.700 . 4.700 4.127 3.773 4.313 . 0 0 "[ . 1 . 2]" 1
1965 2 19 GLU QG 2 20 ALA H 3.900 . 3.900 3.007 2.473 3.270 . 0 0 "[ . 1 . 2]" 1
1966 2 20 ALA H 2 21 VAL QG 5.400 . 5.400 5.403 5.333 5.432 0.032 18 0 "[ . 1 . 2]" 1
1967 2 20 ALA HA 2 21 VAL QG 4.800 . 4.800 3.784 3.709 3.907 . 0 0 "[ . 1 . 2]" 1
1968 2 20 ALA MB 2 21 VAL QG 4.100 . 4.100 3.228 3.152 3.334 . 0 0 "[ . 1 . 2]" 1
1969 2 20 ALA MB 2 29 VAL QG 4.200 . 4.200 3.387 3.269 3.670 . 0 0 "[ . 1 . 2]" 1
1970 2 21 VAL H 2 21 VAL QG 2.800 . 2.800 1.833 1.795 1.871 0.005 13 0 "[ . 1 . 2]" 1
1971 2 21 VAL QG 2 22 ASP H 3.300 . 3.300 2.202 2.114 2.289 . 0 0 "[ . 1 . 2]" 1
1972 2 21 VAL QG 2 22 ASP QB 4.100 . 4.100 2.641 2.477 2.993 . 0 0 "[ . 1 . 2]" 1
1973 2 21 VAL QG 2 24 ALA H 5.200 . 5.200 4.979 4.885 5.065 . 0 0 "[ . 1 . 2]" 1
1974 2 21 VAL QG 2 25 THR H 4.600 . 4.600 3.738 3.616 3.826 . 0 0 "[ . 1 . 2]" 1
1975 2 21 VAL QG 2 25 THR HB 4.800 . 4.800 2.583 2.466 2.738 . 0 0 "[ . 1 . 2]" 1
1976 2 25 THR HA 2 29 VAL QG 5.400 . 5.400 4.130 3.991 4.267 . 0 0 "[ . 1 . 2]" 1
1977 2 25 THR MG 2 29 VAL QG 3.500 . 3.500 2.762 2.623 2.910 . 0 0 "[ . 1 . 2]" 1
1978 2 26 ALA HA 2 29 VAL QG 4.100 . 4.100 3.197 3.080 3.279 . 0 0 "[ . 1 . 2]" 1
1979 2 27 GLU QB 2 31 LYS QD 4.400 . 4.400 3.809 2.587 4.294 . 0 0 "[ . 1 . 2]" 1
1980 2 28 LYS H 2 28 LYS QG 4.500 . 4.500 4.002 3.915 4.054 . 0 0 "[ . 1 . 2]" 1
1981 2 28 LYS H 2 29 VAL QG 4.900 . 4.900 4.285 4.191 4.410 . 0 0 "[ . 1 . 2]" 1
1982 2 28 LYS H 2 31 LYS QD 5.300 . 5.300 5.086 4.812 5.344 0.044 4 0 "[ . 1 . 2]" 1
1983 2 28 LYS HA 2 31 LYS QD 5.000 . 5.000 3.643 3.417 4.083 . 0 0 "[ . 1 . 2]" 1
1984 2 28 LYS QG 2 29 VAL H 4.600 . 4.600 3.622 3.190 4.218 . 0 0 "[ . 1 . 2]" 1
1985 2 28 LYS QG 2 29 VAL HA 5.200 . 5.200 3.945 3.628 4.803 . 0 0 "[ . 1 . 2]" 1
1986 2 28 LYS QG 2 29 VAL QG 4.800 . 4.800 3.896 3.425 4.552 . 0 0 "[ . 1 . 2]" 1
1987 2 28 LYS QD 2 29 VAL QG 4.900 . 4.900 4.305 3.029 4.900 0.000 13 0 "[ . 1 . 2]" 1
1988 2 28 LYS QE 2 29 VAL QG 5.200 . 5.200 4.851 3.448 5.198 . 0 0 "[ . 1 . 2]" 1
1989 2 29 VAL H 2 29 VAL QG 3.100 . 3.100 2.157 2.071 2.279 . 0 0 "[ . 1 . 2]" 1
1990 2 29 VAL HA 2 32 GLN QG 5.300 . 5.300 4.024 3.161 4.589 . 0 0 "[ . 1 . 2]" 1
1991 2 29 VAL HA 2 32 GLN QE 5.300 . 5.300 3.300 2.085 5.391 0.091 19 0 "[ . 1 . 2]" 1
1992 2 29 VAL QG 2 30 PHE H 3.800 . 3.800 2.947 2.810 3.069 . 0 0 "[ . 1 . 2]" 1
1993 2 29 VAL QG 2 30 PHE HA 5.200 . 5.200 3.328 3.211 3.430 . 0 0 "[ . 1 . 2]" 1
1994 2 29 VAL QG 2 31 LYS H 5.400 . 5.400 4.582 4.506 4.692 . 0 0 "[ . 1 . 2]" 1
1995 2 29 VAL QG 2 32 GLN HB2 4.700 . 4.700 3.732 3.536 4.081 . 0 0 "[ . 1 . 2]" 1
1996 2 29 VAL QG 2 32 GLN HB3 5.000 . 5.000 4.161 3.596 4.480 . 0 0 "[ . 1 . 2]" 1
1997 2 29 VAL QG 2 33 TYR H 5.400 . 5.400 4.154 3.880 4.417 . 0 0 "[ . 1 . 2]" 1
1998 2 29 VAL QG 2 33 TYR QD 4.200 . 4.200 3.007 2.749 3.235 . 0 0 "[ . 1 . 2]" 1
1999 2 29 VAL QG 2 33 TYR QE 4.200 . 4.200 2.858 2.486 3.141 . 0 0 "[ . 1 . 2]" 1
2000 2 31 LYS H 2 31 LYS QG 4.200 . 4.200 2.906 2.706 3.795 . 0 0 "[ . 1 . 2]" 1
2001 2 31 LYS H 2 31 LYS QD 5.300 . 5.300 3.933 2.715 4.232 . 0 0 "[ . 1 . 2]" 1
2002 2 31 LYS HA 2 31 LYS QG 3.700 . 3.700 2.241 2.185 2.313 . 0 0 "[ . 1 . 2]" 1
2003 2 31 LYS HA 2 31 LYS QD 4.800 . 4.800 3.825 2.676 4.001 . 0 0 "[ . 1 . 2]" 1
2004 2 31 LYS QG 2 32 GLN H 5.300 . 5.300 4.551 4.405 4.864 . 0 0 "[ . 1 . 2]" 1
2005 2 31 LYS QG 2 43 TRP HZ2 5.300 . 5.300 2.976 2.696 3.586 . 0 0 "[ . 1 . 2]" 1
2006 2 31 LYS QG 2 43 TRP HH2 5.300 . 5.300 2.990 2.569 4.239 . 0 0 "[ . 1 . 2]" 1
2007 2 31 LYS QD 2 32 GLN H 5.300 . 5.300 5.279 4.725 5.416 0.116 14 0 "[ . 1 . 2]" 1
2008 2 31 LYS QD 2 43 TRP HZ2 5.300 . 5.300 4.866 3.537 5.177 . 0 0 "[ . 1 . 2]" 1
2009 2 31 LYS QD 2 43 TRP HH2 5.300 . 5.300 4.792 2.791 5.277 . 0 0 "[ . 1 . 2]" 1
2010 2 31 LYS QE 2 43 TRP HD1 5.300 . 5.300 4.521 3.785 5.346 0.046 17 0 "[ . 1 . 2]" 1
2011 2 31 LYS QE 2 43 TRP HE1 5.300 . 5.300 4.152 3.581 5.228 . 0 0 "[ . 1 . 2]" 1
2012 2 31 LYS QE 2 43 TRP HZ2 5.300 . 5.300 4.136 3.220 4.978 . 0 0 "[ . 1 . 2]" 1
2013 2 32 GLN H 2 32 GLN QG 4.700 . 4.700 3.391 2.565 4.096 . 0 0 "[ . 1 . 2]" 1
2014 2 32 GLN H 2 32 GLN QE 4.800 . 4.800 3.713 2.665 4.722 . 0 0 "[ . 1 . 2]" 1
2015 2 32 GLN H 2 33 TYR QB 5.300 . 5.300 4.551 4.389 4.731 . 0 0 "[ . 1 . 2]" 1
2016 2 32 GLN HA 2 32 GLN QG 3.500 . 3.500 2.443 2.225 2.885 . 0 0 "[ . 1 . 2]" 1
2017 2 32 GLN HA 2 32 GLN QE 5.100 . 5.100 3.828 2.021 4.661 . 0 0 "[ . 1 . 2]" 1
2018 2 32 GLN HA 2 35 ASN QD 5.300 . 5.300 3.703 2.607 5.367 0.067 8 0 "[ . 1 . 2]" 1
2019 2 32 GLN QG 2 33 TYR H 5.300 . 5.300 4.313 3.822 4.586 . 0 0 "[ . 1 . 2]" 1
2020 2 35 ASN HA 2 35 ASN QD 4.100 . 4.100 3.291 2.481 4.257 0.157 17 0 "[ . 1 . 2]" 1
2021 2 36 ASP H 2 39 VAL QG 5.400 . 5.400 4.964 4.270 5.404 0.004 4 0 "[ . 1 . 2]" 1
2022 2 36 ASP HA 2 39 VAL QG 5.400 . 5.400 4.477 3.858 5.161 . 0 0 "[ . 1 . 2]" 1
2023 2 36 ASP HA 2 40 ASP QB 3.600 . 3.600 3.119 2.294 3.594 . 0 0 "[ . 1 . 2]" 1
2024 2 37 ASN H 2 37 ASN QB 3.500 . 3.500 2.876 2.426 3.402 . 0 0 "[ . 1 . 2]" 1
2025 2 37 ASN H 2 37 ASN QD 4.500 . 4.500 3.922 3.372 4.680 0.180 11 0 "[ . 1 . 2]" 1
2026 2 37 ASN QB 2 39 VAL H 4.800 . 4.800 3.863 3.167 4.841 0.041 17 0 "[ . 1 . 2]" 1
2027 2 37 ASN QB 2 39 VAL QG 5.300 . 5.300 3.345 2.071 4.887 . 0 0 "[ . 1 . 2]" 1
2028 2 37 ASN QD 2 38 GLY H 5.300 . 5.300 4.653 3.995 5.395 0.095 10 0 "[ . 1 . 2]" 1
2029 2 37 ASN QD 2 39 VAL QG 4.600 . 4.600 3.996 2.617 4.673 0.073 8 0 "[ . 1 . 2]" 1
2030 2 38 GLY H 2 39 VAL QG 5.400 . 5.400 3.364 2.372 4.481 . 0 0 "[ . 1 . 2]" 1
2031 2 38 GLY QA 2 39 VAL HA 5.300 . 5.300 4.119 4.018 4.234 . 0 0 "[ . 1 . 2]" 1
2032 2 39 VAL H 2 39 VAL QG 3.500 . 3.500 2.226 1.878 2.670 . 0 0 "[ . 1 . 2]" 1
2033 2 39 VAL HA 2 40 ASP QB 5.300 . 5.300 4.677 4.331 5.258 . 0 0 "[ . 1 . 2]" 1
2034 2 39 VAL QG 2 40 ASP H 3.600 . 3.600 2.853 2.135 3.626 0.026 18 0 "[ . 1 . 2]" 1
2035 2 39 VAL QG 2 41 GLY H 4.500 . 4.500 2.511 2.048 3.991 . 0 0 "[ . 1 . 2]" 1
2036 2 39 VAL QG 2 41 GLY HA3 5.200 . 5.200 3.102 2.372 4.565 . 0 0 "[ . 1 . 2]" 1
2037 2 39 VAL QG 2 42 GLU H 5.400 . 5.400 5.028 4.411 5.506 0.106 18 0 "[ . 1 . 2]" 1
2038 2 39 VAL QG 2 56 GLU QB 4.600 . 4.600 3.434 2.153 4.564 . 0 0 "[ . 1 . 2]" 1
2039 2 39 VAL QG 2 56 GLU QG 4.600 . 4.600 2.490 2.012 3.528 . 0 0 "[ . 1 . 2]" 1
2040 2 40 ASP H 2 40 ASP QB 3.600 . 3.600 2.610 2.202 2.788 . 0 0 "[ . 1 . 2]" 1
2041 2 41 GLY HA2 2 54 VAL QG 5.400 . 5.400 4.123 3.661 4.714 . 0 0 "[ . 1 . 2]" 1
2042 2 41 GLY HA3 2 54 VAL QG 4.800 . 4.800 2.767 2.234 3.590 . 0 0 "[ . 1 . 2]" 1
2043 2 42 GLU H 2 42 GLU QB 3.400 . 3.400 2.280 2.247 2.323 . 0 0 "[ . 1 . 2]" 1
2044 2 42 GLU H 2 42 GLU QG 4.800 . 4.800 4.041 4.005 4.091 . 0 0 "[ . 1 . 2]" 1
2045 2 42 GLU H 2 54 VAL QG 4.900 . 4.900 3.847 3.598 4.066 . 0 0 "[ . 1 . 2]" 1
2046 2 42 GLU QB 2 55 THR HB 4.400 . 4.400 3.260 2.980 3.442 . 0 0 "[ . 1 . 2]" 1
2047 2 42 GLU QB 2 55 THR MG 4.400 . 4.400 4.216 4.022 4.301 . 0 0 "[ . 1 . 2]" 1
2048 2 42 GLU QG 2 43 TRP H 4.500 . 4.500 2.842 2.577 3.073 . 0 0 "[ . 1 . 2]" 1
2049 2 42 GLU QG 2 44 THR MG 5.000 . 5.000 4.799 4.520 5.048 0.048 5 0 "[ . 1 . 2]" 1
2050 2 42 GLU QG 2 55 THR HB 5.300 . 5.300 4.752 4.399 5.036 . 0 0 "[ . 1 . 2]" 1
2051 2 43 TRP HA 2 54 VAL QG 4.800 . 4.800 2.678 2.361 3.029 . 0 0 "[ . 1 . 2]" 1
2052 2 43 TRP QB 2 54 VAL QG 5.400 . 5.400 3.516 3.218 3.759 . 0 0 "[ . 1 . 2]" 1
2053 2 43 TRP HD1 2 54 VAL QG 4.600 . 4.600 3.355 2.917 3.594 . 0 0 "[ . 1 . 2]" 1
2054 2 43 TRP HE1 2 54 VAL QG 4.700 . 4.700 3.057 2.695 3.367 . 0 0 "[ . 1 . 2]" 1
2055 2 44 THR H 2 52 PHE QB 5.300 . 5.300 4.240 4.062 4.403 . 0 0 "[ . 1 . 2]" 1
2056 2 44 THR H 2 54 VAL QG 5.400 . 5.400 3.730 3.242 4.401 . 0 0 "[ . 1 . 2]" 1
2057 2 44 THR MG 2 45 TYR QB 4.200 . 4.200 4.211 4.156 4.283 0.083 14 0 "[ . 1 . 2]" 1
2058 2 45 TYR H 2 45 TYR QB 3.300 . 3.300 2.565 2.485 2.614 . 0 0 "[ . 1 . 2]" 1
2059 2 45 TYR QB 2 52 PHE QD 5.300 . 5.300 2.620 2.441 2.765 . 0 0 "[ . 1 . 2]" 1
2060 2 45 TYR QE 2 47 ASP QB 4.000 . 4.000 2.396 2.288 2.563 . 0 0 "[ . 1 . 2]" 1
2061 2 46 ASP H 2 46 ASP QB 3.200 . 3.200 2.500 2.413 2.565 . 0 0 "[ . 1 . 2]" 1
2062 2 46 ASP QB 2 47 ASP H 4.400 . 4.400 3.675 3.438 4.012 . 0 0 "[ . 1 . 2]" 1
2063 2 46 ASP QB 2 49 THR H 4.200 . 4.200 3.547 3.390 3.701 . 0 0 "[ . 1 . 2]" 1
2064 2 46 ASP QB 2 49 THR MG 5.300 . 5.300 2.533 2.066 3.836 . 0 0 "[ . 1 . 2]" 1
2065 2 46 ASP QB 2 50 LYS H 4.800 . 4.800 4.454 3.859 4.871 0.071 11 0 "[ . 1 . 2]" 1
2066 2 46 ASP QB 2 51 THR H 3.800 . 3.800 3.231 2.744 3.568 . 0 0 "[ . 1 . 2]" 1
2067 2 46 ASP QB 2 51 THR HB 4.400 . 4.400 3.169 2.484 3.448 . 0 0 "[ . 1 . 2]" 1
2068 2 46 ASP QB 2 51 THR MG 4.900 . 4.900 4.215 3.858 4.399 . 0 0 "[ . 1 . 2]" 1
2069 2 47 ASP QB 2 48 ALA H 3.700 . 3.700 2.698 2.436 3.540 . 0 0 "[ . 1 . 2]" 1
2070 2 47 ASP QB 2 48 ALA MB 4.700 . 4.700 4.034 3.863 4.565 . 0 0 "[ . 1 . 2]" 1
2071 2 49 THR H 2 50 LYS QB 5.300 . 5.300 4.900 4.723 5.009 . 0 0 "[ . 1 . 2]" 1
2072 2 49 THR H 2 50 LYS QG 5.300 . 5.300 4.292 4.016 5.008 . 0 0 "[ . 1 . 2]" 1
2073 2 49 THR HA 2 50 LYS QD 5.300 . 5.300 4.922 3.208 5.369 0.069 3 0 "[ . 1 . 2]" 1
2074 2 50 LYS H 2 50 LYS QG 3.400 . 3.400 2.778 2.402 3.437 0.037 5 0 "[ . 1 . 2]" 1
2075 2 50 LYS H 2 50 LYS QE 5.300 . 5.300 4.074 3.539 4.634 . 0 0 "[ . 1 . 2]" 1
2076 2 50 LYS HA 2 50 LYS QG 3.700 . 3.700 3.013 2.259 3.155 . 0 0 "[ . 1 . 2]" 1
2077 2 50 LYS HA 2 50 LYS QD 3.700 . 3.700 2.217 2.082 3.085 . 0 0 "[ . 1 . 2]" 1
2078 2 50 LYS QB 2 50 LYS QE 4.300 . 4.300 3.672 3.612 3.833 . 0 0 "[ . 1 . 2]" 1
2079 2 50 LYS QE 2 50 LYS QG 3.100 . 3.100 2.149 2.094 2.387 . 0 0 "[ . 1 . 2]" 1
2080 2 51 THR HA 2 52 PHE QB 5.300 . 5.300 4.210 4.160 4.260 . 0 0 "[ . 1 . 2]" 1
2081 2 51 THR MG 2 52 PHE QB 5.300 . 5.300 4.024 3.927 4.129 . 0 0 "[ . 1 . 2]" 1
2082 2 52 PHE QB 2 53 THR H 3.800 . 3.800 2.828 2.779 2.874 . 0 0 "[ . 1 . 2]" 1
2083 2 52 PHE QB 2 54 VAL H 5.300 . 5.300 5.083 4.945 5.233 . 0 0 "[ . 1 . 2]" 1
2084 2 53 THR H 2 54 VAL QG 5.400 . 5.400 4.064 3.761 5.126 . 0 0 "[ . 1 . 2]" 1
2085 2 53 THR HA 2 54 VAL QG 5.400 . 5.400 3.576 3.451 4.002 . 0 0 "[ . 1 . 2]" 1
2086 2 54 VAL H 2 54 VAL QG 3.800 . 3.800 2.683 2.395 2.822 . 0 0 "[ . 1 . 2]" 1
2087 2 54 VAL QG 2 55 THR H 3.800 . 3.800 2.364 2.130 2.539 . 0 0 "[ . 1 . 2]" 1
2088 2 54 VAL QG 2 55 THR HA 5.100 . 5.100 3.741 3.457 3.909 . 0 0 "[ . 1 . 2]" 1
2089 2 54 VAL QG 2 56 GLU H 5.300 . 5.300 4.547 3.884 4.973 . 0 0 "[ . 1 . 2]" 1
2090 2 54 VAL QG 2 56 GLU QG 5.100 . 5.100 4.612 3.995 5.111 0.011 2 0 "[ . 1 . 2]" 1
2091 1 7 LEU QD 2 16 THR MG 6.000 . 6.000 3.005 2.701 3.260 . 0 0 "[ . 1 . 2]" 1
2092 1 7 LEU QD 2 33 TYR QD 6.000 . 6.000 3.457 3.040 3.899 . 0 0 "[ . 1 . 2]" 1
2093 1 7 LEU QD 2 33 TYR QE 6.000 . 6.000 2.596 2.325 3.145 . 0 0 "[ . 1 . 2]" 1
2094 1 11 THR MG 2 33 TYR QE 6.000 . 6.000 3.761 2.343 5.323 . 0 0 "[ . 1 . 2]" 1
2095 1 12 LEU QD 2 33 TYR QB 6.500 . 6.500 2.908 2.637 3.236 . 0 0 "[ . 1 . 2]" 1
2096 1 12 LEU QD 2 33 TYR QD 4.300 . 4.300 2.722 2.572 2.922 . 0 0 "[ . 1 . 2]" 1
2097 1 12 LEU QD 2 33 TYR QE 6.000 . 6.000 2.739 2.384 3.018 . 0 0 "[ . 1 . 2]" 1
2098 1 12 LEU QD 2 34 PHE QD 7.000 . 7.000 4.244 3.846 4.756 . 0 0 "[ . 1 . 2]" 1
2099 1 12 LEU QD 2 34 PHE QE 3.700 . 3.700 2.988 2.492 3.487 . 0 0 "[ . 1 . 2]" 1
2100 1 12 LEU QD 2 34 PHE HZ 5.500 . 5.500 3.501 2.638 4.026 . 0 0 "[ . 1 . 2]" 1
2101 1 14 GLY QA 2 17 THR H 6.000 . 6.000 3.419 3.324 3.464 . 0 0 "[ . 1 . 2]" 1
2102 1 16 THR MG 2 33 TYR QD 6.000 . 6.000 6.016 5.810 6.055 0.055 12 0 "[ . 1 . 2]" 1
2103 1 16 THR MG 2 34 PHE QE 6.000 . 6.000 3.739 3.425 4.117 . 0 0 "[ . 1 . 2]" 1
2104 1 33 TYR QE 2 34 PHE QD 6.000 . 6.000 3.046 2.373 3.649 . 0 0 "[ . 1 . 2]" 1
2105 1 16 THR MG 2 7 LEU QD 6.000 . 6.000 3.123 2.828 3.278 . 0 0 "[ . 1 . 2]" 1
2106 1 33 TYR QD 2 7 LEU QD 6.000 . 6.000 3.344 2.860 3.730 . 0 0 "[ . 1 . 2]" 1
2107 1 33 TYR QE 2 7 LEU QD 6.000 . 6.000 2.541 2.174 2.909 . 0 0 "[ . 1 . 2]" 1
2108 1 33 TYR QE 2 11 THR MG 6.000 . 6.000 3.697 2.341 5.435 . 0 0 "[ . 1 . 2]" 1
2109 1 33 TYR QB 2 12 LEU QD 6.500 . 6.500 2.806 2.535 3.039 . 0 0 "[ . 1 . 2]" 1
2110 1 33 TYR QD 2 12 LEU QD 4.300 . 4.300 2.641 2.503 2.740 . 0 0 "[ . 1 . 2]" 1
2111 1 33 TYR QE 2 12 LEU QD 6.000 . 6.000 2.765 2.466 3.024 . 0 0 "[ . 1 . 2]" 1
2112 1 34 PHE QD 2 12 LEU QD 7.000 . 7.000 4.112 3.423 4.578 . 0 0 "[ . 1 . 2]" 1
2113 1 34 PHE QE 2 12 LEU QD 3.700 . 3.700 2.826 2.351 3.346 . 0 0 "[ . 1 . 2]" 1
2114 1 34 PHE HZ 2 12 LEU QD 5.500 . 5.500 3.576 3.062 4.040 . 0 0 "[ . 1 . 2]" 1
2115 1 17 THR H 2 14 GLY QA 6.000 . 6.000 3.372 3.261 3.449 . 0 0 "[ . 1 . 2]" 1
2116 1 33 TYR QD 2 16 THR MG 6.000 . 6.000 5.965 5.768 6.029 0.029 1 0 "[ . 1 . 2]" 1
2117 1 34 PHE QE 2 16 THR MG 6.000 . 6.000 3.652 3.275 4.068 . 0 0 "[ . 1 . 2]" 1
2118 1 34 PHE QD 2 33 TYR QE 6.000 . 6.000 2.873 2.387 3.416 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 40
_Distance_constraint_stats_list.Viol_count 241
_Distance_constraint_stats_list.Viol_total 248.892
_Distance_constraint_stats_list.Viol_max 0.179
_Distance_constraint_stats_list.Viol_rms 0.0335
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0156
_Distance_constraint_stats_list.Viol_average_violations_only 0.0516
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LEU 0.044 0.011 7 0 "[ . 1 . 2]"
1 6 ILE 0.061 0.036 20 0 "[ . 1 . 2]"
1 8 ASN 1.811 0.151 4 0 "[ . 1 . 2]"
1 13 LYS 0.815 0.068 10 0 "[ . 1 . 2]"
1 16 THR 0.044 0.011 7 0 "[ . 1 . 2]"
1 17 THR 1.569 0.078 10 0 "[ . 1 . 2]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASP 0.155 0.042 8 0 "[ . 1 . 2]"
1 26 ALA 0.155 0.042 8 0 "[ . 1 . 2]"
1 27 GLU 1.224 0.123 17 0 "[ . 1 . 2]"
1 30 PHE 1.873 0.138 3 0 "[ . 1 . 2]"
1 31 LYS 1.224 0.123 17 0 "[ . 1 . 2]"
1 34 PHE 1.873 0.138 3 0 "[ . 1 . 2]"
1 52 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 VAL 1.872 0.151 4 0 "[ . 1 . 2]"
2 3 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 LEU 0.010 0.010 20 0 "[ . 1 . 2]"
2 6 ILE 0.002 0.002 11 0 "[ . 1 . 2]"
2 8 ASN 2.387 0.179 12 0 "[ . 1 . 2]"
2 13 LYS 1.569 0.078 10 0 "[ . 1 . 2]"
2 16 THR 0.010 0.010 20 0 "[ . 1 . 2]"
2 17 THR 0.815 0.068 10 0 "[ . 1 . 2]"
2 18 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 ASP 0.725 0.050 14 0 "[ . 1 . 2]"
2 26 ALA 0.725 0.050 14 0 "[ . 1 . 2]"
2 27 GLU 1.275 0.142 11 0 "[ . 1 . 2]"
2 30 PHE 0.493 0.106 14 0 "[ . 1 . 2]"
2 31 LYS 1.275 0.142 11 0 "[ . 1 . 2]"
2 34 PHE 0.493 0.106 14 0 "[ . 1 . 2]"
2 52 PHE 0.002 0.002 11 0 "[ . 1 . 2]"
2 54 VAL 2.387 0.179 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 TYR H 1 18 THR O 2.000 . 2.000 1.846 1.828 1.864 . 0 0 "[ . 1 . 2]" 2
2 1 3 TYR N 1 18 THR O 3.000 . 3.000 2.836 2.821 2.877 . 0 0 "[ . 1 . 2]" 2
3 1 5 LEU H 1 16 THR O 2.000 . 2.000 1.807 1.789 1.850 0.011 7 0 "[ . 1 . 2]" 2
4 1 5 LEU N 1 16 THR O 3.000 . 3.000 2.799 2.769 2.851 . 0 0 "[ . 1 . 2]" 2
5 1 6 ILE H 1 52 PHE O 2.000 . 2.000 1.921 1.818 2.000 . 0 0 "[ . 1 . 2]" 2
6 1 6 ILE N 1 52 PHE O 3.000 . 3.000 2.867 2.815 2.924 . 0 0 "[ . 1 . 2]" 2
7 1 8 ASN H 1 54 VAL O 2.000 . 2.000 2.091 2.003 2.151 0.151 4 0 "[ . 1 . 2]" 2
8 1 8 ASN N 1 54 VAL O 3.000 . 3.000 2.822 2.790 2.858 . 0 0 "[ . 1 . 2]" 2
9 1 13 LYS H 2 17 THR O 2.000 . 2.000 2.027 1.967 2.068 0.068 10 0 "[ . 1 . 2]" 2
10 1 13 LYS N 2 17 THR O 3.000 . 3.000 3.002 2.951 3.031 0.031 10 0 "[ . 1 . 2]" 2
11 1 5 LEU O 1 16 THR H 2.000 . 2.000 1.887 1.846 1.968 . 0 0 "[ . 1 . 2]" 2
12 1 5 LEU O 1 16 THR N 3.000 . 3.000 2.906 2.861 2.954 . 0 0 "[ . 1 . 2]" 2
13 1 22 ASP O 1 26 ALA H 2.000 . 2.000 1.968 1.885 2.042 0.042 8 0 "[ . 1 . 2]" 2
14 1 22 ASP O 1 26 ALA N 3.000 . 3.000 2.957 2.856 3.038 0.038 8 0 "[ . 1 . 2]" 2
15 1 27 GLU O 1 31 LYS H 2.000 . 2.000 2.061 2.006 2.123 0.123 17 0 "[ . 1 . 2]" 2
16 1 27 GLU O 1 31 LYS N 3.000 . 3.000 2.864 2.828 2.906 . 0 0 "[ . 1 . 2]" 2
17 1 30 PHE O 1 34 PHE H 2.000 . 2.000 2.094 2.054 2.138 0.138 3 0 "[ . 1 . 2]" 2
18 1 30 PHE O 1 34 PHE N 3.000 . 3.000 2.902 2.861 2.955 . 0 0 "[ . 1 . 2]" 2
19 1 6 ILE O 1 54 VAL H 2.000 . 2.000 1.933 1.824 2.036 0.036 20 0 "[ . 1 . 2]" 2
20 1 6 ILE O 1 54 VAL N 3.000 . 3.000 2.841 2.797 2.881 . 0 0 "[ . 1 . 2]" 2
21 2 3 TYR H 2 18 THR O 2.000 . 2.000 1.861 1.828 1.900 . 0 0 "[ . 1 . 2]" 2
22 2 3 TYR N 2 18 THR O 3.000 . 3.000 2.875 2.845 2.913 . 0 0 "[ . 1 . 2]" 2
23 2 5 LEU H 2 16 THR O 2.000 . 2.000 1.824 1.790 1.852 0.010 20 0 "[ . 1 . 2]" 2
24 2 5 LEU N 2 16 THR O 3.000 . 3.000 2.825 2.785 2.858 . 0 0 "[ . 1 . 2]" 2
25 2 6 ILE H 2 52 PHE O 2.000 . 2.000 1.929 1.847 2.002 0.002 11 0 "[ . 1 . 2]" 2
26 2 6 ILE N 2 52 PHE O 3.000 . 3.000 2.885 2.859 2.920 . 0 0 "[ . 1 . 2]" 2
27 2 8 ASN H 2 54 VAL O 2.000 . 2.000 2.119 2.069 2.179 0.179 12 0 "[ . 1 . 2]" 2
28 2 8 ASN N 2 54 VAL O 3.000 . 3.000 2.802 2.766 2.834 . 0 0 "[ . 1 . 2]" 2
29 1 17 THR O 2 13 LYS H 2.000 . 2.000 2.047 1.980 2.078 0.078 10 0 "[ . 1 . 2]" 2
30 1 17 THR O 2 13 LYS N 3.000 . 3.000 3.029 2.980 3.067 0.067 10 0 "[ . 1 . 2]" 2
31 2 5 LEU O 2 16 THR H 2.000 . 2.000 1.871 1.820 1.978 . 0 0 "[ . 1 . 2]" 2
32 2 5 LEU O 2 16 THR N 3.000 . 3.000 2.877 2.833 2.948 . 0 0 "[ . 1 . 2]" 2
33 2 22 ASP O 2 26 ALA H 2.000 . 2.000 2.023 2.005 2.050 0.050 14 0 "[ . 1 . 2]" 2
34 2 22 ASP O 2 26 ALA N 3.000 . 3.000 3.012 2.983 3.025 0.025 6 0 "[ . 1 . 2]" 2
35 2 27 GLU O 2 31 LYS H 2.000 . 2.000 2.059 1.908 2.142 0.142 11 0 "[ . 1 . 2]" 2
36 2 27 GLU O 2 31 LYS N 3.000 . 3.000 2.885 2.845 2.925 . 0 0 "[ . 1 . 2]" 2
37 2 30 PHE O 2 34 PHE H 2.000 . 2.000 2.011 1.896 2.106 0.106 14 0 "[ . 1 . 2]" 2
38 2 30 PHE O 2 34 PHE N 3.000 . 3.000 2.902 2.848 2.971 . 0 0 "[ . 1 . 2]" 2
39 2 6 ILE O 2 54 VAL H 2.000 . 2.000 1.876 1.813 1.945 . 0 0 "[ . 1 . 2]" 2
40 2 6 ILE O 2 54 VAL N 3.000 . 3.000 2.866 2.807 2.941 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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