NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
483119 |
1vf9   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1vf9
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 808
_Distance_constraint_stats_list.Viol_count 322
_Distance_constraint_stats_list.Viol_total 175.683
_Distance_constraint_stats_list.Viol_max 0.182
_Distance_constraint_stats_list.Viol_rms 0.0048
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0218
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLU 0.053 0.027 5 0 "[ . 1 . 2 .]"
1 3 ASP 0.140 0.027 5 0 "[ . 1 . 2 .]"
1 4 SER 0.067 0.014 7 0 "[ . 1 . 2 .]"
1 5 THR 0.032 0.024 7 0 "[ . 1 . 2 .]"
1 6 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 7 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 8 ILE 0.117 0.016 10 0 "[ . 1 . 2 .]"
1 9 THR 0.029 0.022 5 0 "[ . 1 . 2 .]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 11 LYS 0.025 0.022 5 0 "[ . 1 . 2 .]"
1 12 GLN 0.013 0.013 13 0 "[ . 1 . 2 .]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 14 TRP 0.239 0.018 24 0 "[ . 1 . 2 .]"
1 15 THR 0.007 0.007 21 0 "[ . 1 . 2 .]"
1 16 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 18 GLU 0.068 0.018 24 0 "[ . 1 . 2 .]"
1 19 SER 0.007 0.007 21 0 "[ . 1 . 2 .]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 21 TRP 0.718 0.050 9 0 "[ . 1 . 2 .]"
1 22 VAL 0.024 0.010 4 0 "[ . 1 . 2 .]"
1 23 LYS 0.001 0.001 11 0 "[ . 1 . 2 .]"
1 24 ALA 0.266 0.177 11 0 "[ . 1 . 2 .]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 26 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 27 GLN 2.980 0.182 21 0 "[ . 1 . 2 .]"
1 28 LYS 2.531 0.182 21 0 "[ . 1 . 2 .]"
1 29 TYR 0.079 0.015 24 0 "[ . 1 . 2 .]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 31 GLU 0.106 0.020 24 0 "[ . 1 . 2 .]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 33 ASN 0.065 0.020 2 0 "[ . 1 . 2 .]"
1 34 TRP 0.201 0.019 5 0 "[ . 1 . 2 .]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 36 ALA 0.293 0.029 20 0 "[ . 1 . 2 .]"
1 37 ILE 0.210 0.029 9 0 "[ . 1 . 2 .]"
1 38 SER 0.157 0.029 9 0 "[ . 1 . 2 .]"
1 39 LYS 0.172 0.029 20 0 "[ . 1 . 2 .]"
1 40 ASN 0.057 0.015 15 0 "[ . 1 . 2 .]"
1 41 TYR 0.074 0.016 12 0 "[ . 1 . 2 .]"
1 42 PRO 0.382 0.050 9 0 "[ . 1 . 2 .]"
1 43 PHE 0.684 0.064 14 0 "[ . 1 . 2 .]"
1 44 VAL 0.205 0.065 21 0 "[ . 1 . 2 .]"
1 45 ASN 0.172 0.065 21 0 "[ . 1 . 2 .]"
1 46 ARG 0.517 0.064 14 0 "[ . 1 . 2 .]"
1 47 THR 0.021 0.016 21 0 "[ . 1 . 2 .]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 50 MET 0.861 0.034 23 0 "[ . 1 . 2 .]"
1 51 ILE 0.278 0.031 3 0 "[ . 1 . 2 .]"
1 52 LYS 0.062 0.013 22 0 "[ . 1 . 2 .]"
1 53 ASP 0.057 0.012 8 0 "[ . 1 . 2 .]"
1 54 ARG 0.057 0.017 23 0 "[ . 1 . 2 .]"
1 55 TRP 0.284 0.031 3 0 "[ . 1 . 2 .]"
1 56 ARG 0.001 0.001 7 0 "[ . 1 . 2 .]"
1 57 THR 0.001 0.001 7 0 "[ . 1 . 2 .]"
1 58 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 59 LYS 0.189 0.045 20 0 "[ . 1 . 2 .]"
1 60 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 61 LEU 0.116 0.042 10 0 "[ . 1 . 2 .]"
1 62 GLY 0.009 0.005 4 0 "[ . 1 . 2 .]"
1 63 MET 0.008 0.005 4 0 "[ . 1 . 2 .]"
1 64 ASN 0.035 0.014 16 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 2 GLU H 1 3 ASP HA 2.000 . 5.000 4.701 4.175 5.027 0.027 5 0 "[ . 1 . 2 .]" 1
2 1 3 ASP H 1 3 ASP HA 2.000 . 3.000 2.897 2.360 3.002 0.002 4 0 "[ . 1 . 2 .]" 1
3 1 3 ASP HA 1 4 SER H 2.000 . 4.000 3.095 2.325 3.593 . 0 0 "[ . 1 . 2 .]" 1
4 1 3 ASP HA 1 5 THR H 2.000 . 4.000 3.656 3.144 4.024 0.024 7 0 "[ . 1 . 2 .]" 1
5 1 3 ASP HA 1 6 THR H 2.000 . 4.000 3.622 3.016 3.991 . 0 0 "[ . 1 . 2 .]" 1
6 1 3 ASP HA 1 7 ASN H 2.000 . 5.000 3.421 2.229 4.693 . 0 0 "[ . 1 . 2 .]" 1
7 1 3 ASP HA 1 8 ILE H 2.000 . 4.000 3.794 2.817 4.016 0.016 10 0 "[ . 1 . 2 .]" 1
8 1 4 SER HA 1 8 ILE H 2.000 . 4.000 3.818 3.215 4.014 0.014 7 0 "[ . 1 . 2 .]" 1
9 1 5 THR HA 1 6 THR H 2.000 . 5.000 3.553 3.463 3.592 . 0 0 "[ . 1 . 2 .]" 1
10 1 6 THR HA 1 7 ASN H 2.000 . 5.000 3.502 3.014 3.593 . 0 0 "[ . 1 . 2 .]" 1
11 1 8 ILE HA 1 9 THR H 2.000 . 3.000 2.348 2.206 2.558 . 0 0 "[ . 1 . 2 .]" 1
12 1 9 THR H 1 9 THR HA 2.000 . 3.000 2.859 2.358 3.001 0.001 13 0 "[ . 1 . 2 .]" 1
13 1 9 THR HA 1 10 LYS H 2.000 . 4.000 2.711 2.212 3.552 . 0 0 "[ . 1 . 2 .]" 1
14 1 9 THR HA 1 11 LYS H 2.000 . 4.000 3.715 3.061 4.022 0.022 5 0 "[ . 1 . 2 .]" 1
15 1 11 LYS H 1 11 LYS HA 2.000 . 3.000 2.902 2.798 2.959 . 0 0 "[ . 1 . 2 .]" 1
16 1 11 LYS HA 1 12 GLN H 2.000 . 3.000 2.446 2.212 2.938 . 0 0 "[ . 1 . 2 .]" 1
17 1 12 GLN HA 1 12 GLN QE 2.000 . 6.000 4.205 2.189 5.254 . 0 0 "[ . 1 . 2 .]" 1
18 1 12 GLN HA 1 13 LYS H 2.000 . 5.000 2.817 2.217 3.589 . 0 0 "[ . 1 . 2 .]" 1
19 1 12 GLN HA 1 14 TRP H 2.000 . 5.000 4.232 3.082 5.013 0.013 13 0 "[ . 1 . 2 .]" 1
20 1 13 LYS H 1 13 LYS HA 2.000 . 3.000 2.905 2.808 2.952 . 0 0 "[ . 1 . 2 .]" 1
21 1 13 LYS H 1 13 LYS QB 2.000 . 5.000 2.156 1.937 2.557 . 0 0 "[ . 1 . 2 .]" 1
22 1 13 LYS H 1 13 LYS QG 2.000 . 6.000 3.042 1.966 3.984 . 0 0 "[ . 1 . 2 .]" 1
23 1 13 LYS HA 1 14 TRP H 2.000 . 4.000 3.106 2.286 3.588 . 0 0 "[ . 1 . 2 .]" 1
24 1 13 LYS QB 1 14 TRP H 2.000 . 5.000 3.183 1.919 4.070 . 0 0 "[ . 1 . 2 .]" 1
25 1 13 LYS QG 1 14 TRP H 2.000 . 6.000 4.054 1.933 4.616 . 0 0 "[ . 1 . 2 .]" 1
26 1 14 TRP H 1 14 TRP HB2 2.000 . 4.000 2.636 2.002 3.195 . 0 0 "[ . 1 . 2 .]" 1
27 1 14 TRP HA 1 14 TRP HB2 2.000 . 3.000 2.984 2.927 3.014 0.014 18 0 "[ . 1 . 2 .]" 1
28 1 14 TRP HA 1 14 TRP HB3 2.000 . 3.000 2.685 2.612 2.785 . 0 0 "[ . 1 . 2 .]" 1
29 1 14 TRP HA 1 14 TRP HE3 2.000 . 5.000 3.452 2.312 4.244 . 0 0 "[ . 1 . 2 .]" 1
30 1 14 TRP HA 1 15 THR H 2.000 . 4.000 2.519 2.210 2.806 . 0 0 "[ . 1 . 2 .]" 1
31 1 14 TRP HA 1 46 ARG HE 2.000 . 5.000 4.336 3.426 4.994 . 0 0 "[ . 1 . 2 .]" 1
32 1 14 TRP HB2 1 15 THR H 2.000 . 5.000 3.866 3.455 4.492 . 0 0 "[ . 1 . 2 .]" 1
33 1 14 TRP HB3 1 15 THR H 2.000 . 5.000 2.535 1.941 3.648 . 0 0 "[ . 1 . 2 .]" 1
34 1 14 TRP HE1 1 50 MET HA 2.000 . 5.000 4.484 3.610 5.001 0.001 6 0 "[ . 1 . 2 .]" 1
35 1 14 TRP HE1 1 50 MET QB 2.000 . 6.000 3.475 2.653 3.989 . 0 0 "[ . 1 . 2 .]" 1
36 1 14 TRP HE1 1 54 ARG HB2 2.000 . 5.000 3.483 2.726 4.011 . 0 0 "[ . 1 . 2 .]" 1
37 1 14 TRP HE1 1 54 ARG HB3 2.000 . 5.500 5.084 4.429 5.517 0.017 23 0 "[ . 1 . 2 .]" 1
38 1 14 TRP HE1 1 54 ARG QD 2.000 . 6.500 5.465 2.547 5.854 . 0 0 "[ . 1 . 2 .]" 1
39 1 14 TRP HE1 1 54 ARG HG2 2.000 . 5.000 4.270 3.670 4.863 . 0 0 "[ . 1 . 2 .]" 1
40 1 14 TRP HE1 1 54 ARG HG3 2.000 . 5.000 3.859 3.370 5.013 0.013 17 0 "[ . 1 . 2 .]" 1
41 1 14 TRP HE3 1 18 GLU HA 2.000 . 5.000 4.755 4.361 5.018 0.018 24 0 "[ . 1 . 2 .]" 1
42 1 14 TRP HE3 1 18 GLU QB 2.000 . 4.000 2.177 1.840 2.442 . 0 0 "[ . 1 . 2 .]" 1
43 1 14 TRP HE3 1 18 GLU QG 2.000 . 5.000 4.116 2.975 4.489 . 0 0 "[ . 1 . 2 .]" 1
44 1 14 TRP HE3 1 22 VAL MG2 2.000 . 6.500 4.166 3.451 4.757 . 0 0 "[ . 1 . 2 .]" 1
45 1 14 TRP HH2 1 22 VAL MG1 2.000 . 6.500 4.624 4.153 5.236 . 0 0 "[ . 1 . 2 .]" 1
46 1 14 TRP HH2 1 22 VAL MG2 2.000 . 4.500 2.997 2.487 3.532 . 0 0 "[ . 1 . 2 .]" 1
47 1 14 TRP HH2 1 46 ARG HB2 2.000 . 5.000 4.866 4.455 5.017 0.017 23 0 "[ . 1 . 2 .]" 1
48 1 14 TRP HH2 1 46 ARG HB3 2.000 . 5.000 3.601 3.201 4.201 . 0 0 "[ . 1 . 2 .]" 1
49 1 14 TRP HH2 1 46 ARG HD2 2.000 . 5.000 3.103 2.402 4.979 . 0 0 "[ . 1 . 2 .]" 1
50 1 14 TRP HH2 1 46 ARG HD3 2.000 . 5.000 4.315 3.057 4.973 . 0 0 "[ . 1 . 2 .]" 1
51 1 14 TRP HH2 1 51 ILE HA 2.000 . 3.000 2.576 2.005 2.871 . 0 0 "[ . 1 . 2 .]" 1
52 1 14 TRP HH2 1 51 ILE MD 2.000 . 5.500 3.727 3.446 4.163 . 0 0 "[ . 1 . 2 .]" 1
53 1 14 TRP HH2 1 51 ILE HG12 2.000 . 3.000 2.210 1.943 2.770 . 0 0 "[ . 1 . 2 .]" 1
54 1 14 TRP HH2 1 51 ILE HG13 2.000 . 3.000 2.665 1.976 3.005 0.005 22 0 "[ . 1 . 2 .]" 1
55 1 14 TRP HH2 1 54 ARG HB2 2.000 . 5.000 4.241 3.648 4.929 . 0 0 "[ . 1 . 2 .]" 1
56 1 14 TRP HH2 1 54 ARG HB3 2.000 . 5.000 4.326 3.708 4.800 . 0 0 "[ . 1 . 2 .]" 1
57 1 14 TRP HZ2 1 46 ARG HD2 2.000 . 5.000 3.152 2.349 4.711 . 0 0 "[ . 1 . 2 .]" 1
58 1 14 TRP HZ2 1 46 ARG HD3 2.000 . 5.000 3.789 2.844 4.951 . 0 0 "[ . 1 . 2 .]" 1
59 1 14 TRP HZ2 1 50 MET HA 2.000 . 5.000 3.685 3.354 4.128 . 0 0 "[ . 1 . 2 .]" 1
60 1 14 TRP HZ2 1 50 MET HB2 2.000 . 5.000 3.163 2.864 3.785 . 0 0 "[ . 1 . 2 .]" 1
61 1 14 TRP HZ2 1 50 MET HB3 2.000 . 5.000 2.266 1.942 2.991 . 0 0 "[ . 1 . 2 .]" 1
62 1 14 TRP HZ2 1 51 ILE HA 2.000 . 4.000 3.077 2.379 3.450 . 0 0 "[ . 1 . 2 .]" 1
63 1 14 TRP HZ2 1 51 ILE HG13 2.000 . 5.000 3.689 2.818 4.234 . 0 0 "[ . 1 . 2 .]" 1
64 1 14 TRP HZ2 1 54 ARG HB2 2.000 . 4.000 3.037 2.060 3.624 . 0 0 "[ . 1 . 2 .]" 1
65 1 14 TRP HZ2 1 54 ARG HB3 2.000 . 5.000 4.100 2.758 4.633 . 0 0 "[ . 1 . 2 .]" 1
66 1 14 TRP HZ3 1 18 GLU QB 2.000 . 5.000 2.121 1.894 2.665 . 0 0 "[ . 1 . 2 .]" 1
67 1 14 TRP HZ3 1 22 VAL H 2.000 . 5.000 4.669 3.977 4.998 . 0 0 "[ . 1 . 2 .]" 1
68 1 14 TRP HZ3 1 22 VAL MG2 2.000 . 4.500 2.513 2.036 2.893 . 0 0 "[ . 1 . 2 .]" 1
69 1 14 TRP HZ3 1 43 PHE QE 2.000 . 6.000 2.682 2.014 3.396 . 0 0 "[ . 1 . 2 .]" 1
70 1 14 TRP HZ3 1 43 PHE HZ 2.000 . 5.000 3.664 2.919 4.612 . 0 0 "[ . 1 . 2 .]" 1
71 1 15 THR H 1 15 THR HB 2.000 . 4.000 3.436 2.617 3.865 . 0 0 "[ . 1 . 2 .]" 1
72 1 15 THR H 1 15 THR HG1 2.000 . 4.500 2.537 1.924 3.279 . 0 0 "[ . 1 . 2 .]" 1
73 1 15 THR H 1 16 VAL H 2.000 . 5.000 4.401 4.126 4.581 . 0 0 "[ . 1 . 2 .]" 1
74 1 15 THR H 1 16 VAL HA 2.000 . 6.000 5.078 4.682 5.452 . 0 0 "[ . 1 . 2 .]" 1
75 1 15 THR H 1 16 VAL MG2 2.000 . 7.000 5.371 5.105 5.670 . 0 0 "[ . 1 . 2 .]" 1
76 1 15 THR H 1 18 GLU H 2.000 . 5.000 3.908 3.355 4.515 . 0 0 "[ . 1 . 2 .]" 1
77 1 15 THR H 1 18 GLU QB 2.000 . 4.000 2.523 1.969 3.177 . 0 0 "[ . 1 . 2 .]" 1
78 1 15 THR H 1 19 SER H 2.000 . 5.000 3.859 3.473 4.240 . 0 0 "[ . 1 . 2 .]" 1
79 1 15 THR H 1 19 SER HA 2.000 . 6.000 5.686 5.217 6.007 0.007 21 0 "[ . 1 . 2 .]" 1
80 1 15 THR H 1 19 SER QB 2.000 . 6.000 4.717 3.972 5.158 . 0 0 "[ . 1 . 2 .]" 1
81 1 15 THR HA 1 16 VAL H 2.000 . 4.000 2.653 2.421 3.065 . 0 0 "[ . 1 . 2 .]" 1
82 1 15 THR HG1 1 16 VAL H 2.000 . 6.500 2.808 1.880 3.605 . 0 0 "[ . 1 . 2 .]" 1
83 1 15 THR MG 1 18 GLU QG 2.000 . 7.500 3.858 2.172 5.109 . 0 0 "[ . 1 . 2 .]" 1
84 1 16 VAL H 1 16 VAL HB 2.000 . 4.000 2.713 2.275 3.653 . 0 0 "[ . 1 . 2 .]" 1
85 1 16 VAL H 1 16 VAL MG1 2.000 . 6.500 3.284 1.899 3.767 . 0 0 "[ . 1 . 2 .]" 1
86 1 16 VAL H 1 16 VAL MG2 2.000 . 4.500 2.150 1.875 2.678 . 0 0 "[ . 1 . 2 .]" 1
87 1 16 VAL H 1 17 GLU H 2.000 . 4.000 2.513 2.045 2.914 . 0 0 "[ . 1 . 2 .]" 1
88 1 16 VAL H 1 18 GLU H 2.000 . 5.000 4.159 3.556 4.790 . 0 0 "[ . 1 . 2 .]" 1
89 1 16 VAL HA 1 17 GLU H 2.000 . 5.000 3.559 3.485 3.594 . 0 0 "[ . 1 . 2 .]" 1
90 1 16 VAL HA 1 20 GLU H 2.000 . 5.000 4.149 3.992 4.400 . 0 0 "[ . 1 . 2 .]" 1
91 1 16 VAL HB 1 17 GLU H 2.000 . 5.000 2.841 2.234 3.996 . 0 0 "[ . 1 . 2 .]" 1
92 1 16 VAL MG1 1 17 GLU H 2.000 . 5.500 3.530 3.076 3.972 . 0 0 "[ . 1 . 2 .]" 1
93 1 16 VAL MG1 1 19 SER H 2.000 . 6.500 4.880 4.488 5.293 . 0 0 "[ . 1 . 2 .]" 1
94 1 16 VAL MG1 1 20 GLU H 2.000 . 7.500 4.547 3.783 5.821 . 0 0 "[ . 1 . 2 .]" 1
95 1 16 VAL MG2 1 17 GLU H 2.000 . 5.500 3.271 1.830 4.016 . 0 0 "[ . 1 . 2 .]" 1
96 1 17 GLU H 1 17 GLU HA 2.000 . 3.000 2.857 2.800 2.918 . 0 0 "[ . 1 . 2 .]" 1
97 1 17 GLU H 1 17 GLU QB 2.000 . 4.000 2.055 1.930 2.365 . 0 0 "[ . 1 . 2 .]" 1
98 1 17 GLU H 1 18 GLU H 2.000 . 4.000 2.764 2.492 3.075 . 0 0 "[ . 1 . 2 .]" 1
99 1 17 GLU H 1 18 GLU QB 2.000 . 6.000 4.466 4.108 4.756 . 0 0 "[ . 1 . 2 .]" 1
100 1 17 GLU HA 1 18 GLU H 2.000 . 5.000 3.574 3.528 3.594 . 0 0 "[ . 1 . 2 .]" 1
101 1 17 GLU HA 1 20 GLU H 2.000 . 4.000 3.544 3.387 3.620 . 0 0 "[ . 1 . 2 .]" 1
102 1 17 GLU HA 1 20 GLU QB 2.000 . 5.000 2.719 2.472 2.979 . 0 0 "[ . 1 . 2 .]" 1
103 1 17 GLU QB 1 18 GLU QB 2.000 . 6.000 4.115 3.864 4.305 . 0 0 "[ . 1 . 2 .]" 1
104 1 17 GLU QB 1 21 TRP HE1 2.000 . 6.000 4.393 3.518 5.384 . 0 0 "[ . 1 . 2 .]" 1
105 1 17 GLU QB 1 21 TRP HH2 2.000 . 6.000 3.571 2.918 4.496 . 0 0 "[ . 1 . 2 .]" 1
106 1 17 GLU HB2 1 18 GLU H 2.000 . 5.000 2.851 2.443 3.604 . 0 0 "[ . 1 . 2 .]" 1
107 1 17 GLU HB3 1 18 GLU H 2.000 . 5.000 2.969 2.171 3.650 . 0 0 "[ . 1 . 2 .]" 1
108 1 17 GLU QG 1 21 TRP HH2 2.000 . 6.000 4.344 3.204 5.316 . 0 0 "[ . 1 . 2 .]" 1
109 1 18 GLU H 1 18 GLU QB 2.000 . 4.000 2.156 1.926 2.439 . 0 0 "[ . 1 . 2 .]" 1
110 1 18 GLU H 1 19 SER H 2.000 . 3.000 2.704 2.555 2.808 . 0 0 "[ . 1 . 2 .]" 1
111 1 18 GLU H 1 20 GLU H 2.000 . 5.000 4.064 3.848 4.308 . 0 0 "[ . 1 . 2 .]" 1
112 1 18 GLU HA 1 19 SER H 2.000 . 4.000 3.569 3.532 3.594 . 0 0 "[ . 1 . 2 .]" 1
113 1 18 GLU HA 1 21 TRP H 2.000 . 5.000 3.522 3.300 3.607 . 0 0 "[ . 1 . 2 .]" 1
114 1 18 GLU HA 1 21 TRP HE3 2.000 . 3.000 2.513 2.227 2.901 . 0 0 "[ . 1 . 2 .]" 1
115 1 18 GLU HA 1 21 TRP HH2 2.000 . 6.000 5.102 4.788 5.398 . 0 0 "[ . 1 . 2 .]" 1
116 1 18 GLU HA 1 21 TRP HZ3 2.000 . 5.000 3.704 3.365 4.007 . 0 0 "[ . 1 . 2 .]" 1
117 1 18 GLU HA 1 22 VAL H 2.000 . 5.000 4.384 4.220 4.427 . 0 0 "[ . 1 . 2 .]" 1
118 1 18 GLU HA 1 43 PHE QD 2.000 . 7.000 4.631 4.264 5.213 . 0 0 "[ . 1 . 2 .]" 1
119 1 18 GLU HA 1 43 PHE QE 2.000 . 6.000 3.265 2.497 4.287 . 0 0 "[ . 1 . 2 .]" 1
120 1 18 GLU HA 1 43 PHE HZ 2.000 . 5.000 3.849 3.205 4.556 . 0 0 "[ . 1 . 2 .]" 1
121 1 18 GLU QB 1 19 SER H 2.000 . 5.000 2.531 2.354 2.751 . 0 0 "[ . 1 . 2 .]" 1
122 1 18 GLU QB 1 21 TRP HE3 2.000 . 6.000 4.247 3.760 4.788 . 0 0 "[ . 1 . 2 .]" 1
123 1 18 GLU QB 1 21 TRP HZ3 2.000 . 6.000 4.780 4.255 5.210 . 0 0 "[ . 1 . 2 .]" 1
124 1 18 GLU QB 1 22 VAL MG2 2.000 . 6.500 3.673 3.305 4.114 . 0 0 "[ . 1 . 2 .]" 1
125 1 18 GLU QB 1 43 PHE QD 2.000 . 7.000 4.442 3.657 5.128 . 0 0 "[ . 1 . 2 .]" 1
126 1 18 GLU QB 1 43 PHE QE 2.000 . 7.000 2.909 2.217 3.952 . 0 0 "[ . 1 . 2 .]" 1
127 1 18 GLU QG 1 21 TRP HE3 2.000 . 5.000 3.096 2.608 3.802 . 0 0 "[ . 1 . 2 .]" 1
128 1 18 GLU QG 1 21 TRP HZ3 2.000 . 5.000 2.835 2.287 3.280 . 0 0 "[ . 1 . 2 .]" 1
129 1 18 GLU QG 1 43 PHE HA 2.000 . 6.000 4.142 3.600 5.017 . 0 0 "[ . 1 . 2 .]" 1
130 1 18 GLU QG 1 43 PHE QD 2.000 . 7.000 3.517 2.704 4.822 . 0 0 "[ . 1 . 2 .]" 1
131 1 18 GLU QG 1 43 PHE QE 2.000 . 7.000 3.006 1.802 4.785 . 0 0 "[ . 1 . 2 .]" 1
132 1 18 GLU QG 1 44 VAL H 2.000 . 6.000 4.799 3.948 5.282 . 0 0 "[ . 1 . 2 .]" 1
133 1 19 SER H 1 19 SER HA 2.000 . 3.000 2.868 2.835 2.906 . 0 0 "[ . 1 . 2 .]" 1
134 1 19 SER H 1 19 SER HB2 2.000 . 3.000 2.116 1.949 2.371 . 0 0 "[ . 1 . 2 .]" 1
135 1 19 SER H 1 19 SER HB3 2.000 . 4.000 3.427 3.054 3.531 . 0 0 "[ . 1 . 2 .]" 1
136 1 19 SER HA 1 20 GLU H 2.000 . 4.000 3.541 3.500 3.571 . 0 0 "[ . 1 . 2 .]" 1
137 1 19 SER HA 1 22 VAL H 2.000 . 5.000 3.560 3.455 3.618 . 0 0 "[ . 1 . 2 .]" 1
138 1 19 SER QB 1 20 GLU H 2.000 . 5.000 2.705 2.484 2.898 . 0 0 "[ . 1 . 2 .]" 1
139 1 19 SER QB 1 22 VAL H 2.000 . 6.000 4.983 4.757 5.162 . 0 0 "[ . 1 . 2 .]" 1
140 1 19 SER QB 1 23 LYS H 2.000 . 6.000 4.972 4.802 5.242 . 0 0 "[ . 1 . 2 .]" 1
141 1 19 SER HB2 1 58 MET ME 2.000 . 7.500 5.332 4.707 5.880 . 0 0 "[ . 1 . 2 .]" 1
142 1 19 SER HB3 1 58 MET ME 2.000 . 5.500 4.009 3.145 4.445 . 0 0 "[ . 1 . 2 .]" 1
143 1 20 GLU H 1 20 GLU HA 2.000 . 3.000 2.882 2.856 2.912 . 0 0 "[ . 1 . 2 .]" 1
144 1 20 GLU H 1 20 GLU QB 2.000 . 4.000 2.072 1.935 2.175 . 0 0 "[ . 1 . 2 .]" 1
145 1 20 GLU H 1 21 TRP H 2.000 . 3.000 2.654 2.511 2.769 . 0 0 "[ . 1 . 2 .]" 1
146 1 20 GLU H 1 21 TRP HB2 2.000 . 5.000 4.693 4.593 4.832 . 0 0 "[ . 1 . 2 .]" 1
147 1 20 GLU H 1 22 VAL HB 2.000 . 5.500 5.076 4.790 5.361 . 0 0 "[ . 1 . 2 .]" 1
148 1 20 GLU HA 1 21 TRP H 2.000 . 5.000 3.570 3.523 3.591 . 0 0 "[ . 1 . 2 .]" 1
149 1 20 GLU HA 1 23 LYS H 2.000 . 4.000 3.567 3.246 3.625 . 0 0 "[ . 1 . 2 .]" 1
150 1 20 GLU HA 1 23 LYS QB 2.000 . 4.000 2.856 2.566 3.196 . 0 0 "[ . 1 . 2 .]" 1
151 1 20 GLU HA 1 24 ALA H 2.000 . 5.000 4.293 4.024 4.402 . 0 0 "[ . 1 . 2 .]" 1
152 1 20 GLU HB2 1 21 TRP H 2.000 . 5.000 3.530 3.120 3.968 . 0 0 "[ . 1 . 2 .]" 1
153 1 20 GLU HB3 1 21 TRP H 2.000 . 5.000 2.551 2.266 2.991 . 0 0 "[ . 1 . 2 .]" 1
154 1 20 GLU QG 1 24 ALA H 2.000 . 6.000 4.568 3.947 5.292 . 0 0 "[ . 1 . 2 .]" 1
155 1 21 TRP H 1 21 TRP HE3 2.000 . 5.000 4.435 4.229 4.617 . 0 0 "[ . 1 . 2 .]" 1
156 1 21 TRP H 1 22 VAL H 2.000 . 3.000 2.714 2.565 2.832 . 0 0 "[ . 1 . 2 .]" 1
157 1 21 TRP H 1 22 VAL HB 2.000 . 5.000 4.723 4.550 4.925 . 0 0 "[ . 1 . 2 .]" 1
158 1 21 TRP H 1 22 VAL MG2 2.000 . 6.500 4.086 3.766 4.264 . 0 0 "[ . 1 . 2 .]" 1
159 1 21 TRP H 1 24 ALA MB 2.000 . 6.500 4.827 4.472 5.195 . 0 0 "[ . 1 . 2 .]" 1
160 1 21 TRP H 1 43 PHE HZ 2.000 . 5.000 4.469 3.880 5.007 0.007 10 0 "[ . 1 . 2 .]" 1
161 1 21 TRP HA 1 22 VAL H 2.000 . 4.000 3.564 3.499 3.587 . 0 0 "[ . 1 . 2 .]" 1
162 1 21 TRP HA 1 22 VAL MG2 2.000 . 6.500 4.933 4.692 5.052 . 0 0 "[ . 1 . 2 .]" 1
163 1 21 TRP HA 1 24 ALA H 2.000 . 5.000 3.582 3.474 3.628 . 0 0 "[ . 1 . 2 .]" 1
164 1 21 TRP HA 1 25 GLY H 2.000 . 5.000 4.080 3.987 4.237 . 0 0 "[ . 1 . 2 .]" 1
165 1 21 TRP HA 1 41 TYR QD 2.000 . 7.000 2.787 2.569 3.119 . 0 0 "[ . 1 . 2 .]" 1
166 1 21 TRP HB2 1 21 TRP HE3 2.000 . 4.000 2.741 2.650 2.838 . 0 0 "[ . 1 . 2 .]" 1
167 1 21 TRP HB2 1 22 VAL H 2.000 . 4.000 2.515 2.368 2.860 . 0 0 "[ . 1 . 2 .]" 1
168 1 21 TRP HB2 1 22 VAL MG1 2.000 . 6.500 5.436 5.359 5.493 . 0 0 "[ . 1 . 2 .]" 1
169 1 21 TRP HB2 1 22 VAL MG2 2.000 . 5.500 3.180 2.952 3.338 . 0 0 "[ . 1 . 2 .]" 1
170 1 21 TRP HB2 1 41 TYR HB2 2.000 . 5.000 4.865 4.495 5.016 0.016 12 0 "[ . 1 . 2 .]" 1
171 1 21 TRP HB2 1 41 TYR HB3 2.000 . 5.000 3.929 3.522 4.216 . 0 0 "[ . 1 . 2 .]" 1
172 1 21 TRP HB2 1 41 TYR QD 2.000 . 7.000 3.828 3.573 4.420 . 0 0 "[ . 1 . 2 .]" 1
173 1 21 TRP HB2 1 43 PHE QE 2.000 . 6.000 3.069 2.700 3.542 . 0 0 "[ . 1 . 2 .]" 1
174 1 21 TRP HB2 1 43 PHE HZ 2.000 . 4.000 2.497 2.047 3.073 . 0 0 "[ . 1 . 2 .]" 1
175 1 21 TRP HB3 1 21 TRP HE3 2.000 . 4.000 3.290 3.170 3.420 . 0 0 "[ . 1 . 2 .]" 1
176 1 21 TRP HB3 1 22 VAL H 2.000 . 4.000 3.600 3.411 3.904 . 0 0 "[ . 1 . 2 .]" 1
177 1 21 TRP HB3 1 43 PHE HZ 2.000 . 4.000 3.330 2.756 3.904 . 0 0 "[ . 1 . 2 .]" 1
178 1 21 TRP HE1 1 42 PRO QG 2.000 . 6.000 3.581 3.399 3.690 . 0 0 "[ . 1 . 2 .]" 1
179 1 21 TRP HE3 1 41 TYR HB2 2.000 . 5.000 4.826 4.490 5.003 0.003 2 0 "[ . 1 . 2 .]" 1
180 1 21 TRP HE3 1 41 TYR HB3 2.000 . 5.000 3.768 3.452 3.985 . 0 0 "[ . 1 . 2 .]" 1
181 1 21 TRP HE3 1 43 PHE H 2.000 . 5.000 4.963 4.848 5.038 0.038 8 0 "[ . 1 . 2 .]" 1
182 1 21 TRP HE3 1 43 PHE QD 2.000 . 7.000 3.491 3.158 3.965 . 0 0 "[ . 1 . 2 .]" 1
183 1 21 TRP HE3 1 43 PHE QE 2.000 . 7.000 3.168 2.782 3.784 . 0 0 "[ . 1 . 2 .]" 1
184 1 21 TRP HE3 1 43 PHE HZ 2.000 . 5.000 3.617 3.088 4.186 . 0 0 "[ . 1 . 2 .]" 1
185 1 21 TRP HH2 1 42 PRO HB2 2.000 . 5.000 3.146 3.014 3.331 . 0 0 "[ . 1 . 2 .]" 1
186 1 21 TRP HH2 1 42 PRO HB3 2.000 . 5.000 4.712 4.506 4.973 . 0 0 "[ . 1 . 2 .]" 1
187 1 21 TRP HH2 1 42 PRO QG 2.000 . 6.000 3.099 3.002 3.321 . 0 0 "[ . 1 . 2 .]" 1
188 1 21 TRP HZ2 1 42 PRO HB2 2.000 . 5.000 4.125 3.916 4.229 . 0 0 "[ . 1 . 2 .]" 1
189 1 21 TRP HZ2 1 42 PRO HB3 2.000 . 5.000 5.010 4.935 5.050 0.050 9 0 "[ . 1 . 2 .]" 1
190 1 21 TRP HZ2 1 42 PRO HG2 2.000 . 5.000 3.082 2.846 3.219 . 0 0 "[ . 1 . 2 .]" 1
191 1 21 TRP HZ2 1 42 PRO HG3 2.000 . 5.000 3.463 3.346 3.654 . 0 0 "[ . 1 . 2 .]" 1
192 1 21 TRP HZ3 1 43 PHE H 2.000 . 5.000 4.962 4.812 5.032 0.032 22 0 "[ . 1 . 2 .]" 1
193 1 21 TRP HZ3 1 43 PHE HA 2.000 . 4.000 2.973 2.606 3.220 . 0 0 "[ . 1 . 2 .]" 1
194 1 21 TRP HZ3 1 44 VAL H 2.000 . 5.000 4.385 3.741 4.964 . 0 0 "[ . 1 . 2 .]" 1
195 1 22 VAL H 1 22 VAL HA 2.000 . 3.000 2.852 2.823 2.899 . 0 0 "[ . 1 . 2 .]" 1
196 1 22 VAL H 1 22 VAL HB 2.000 . 3.000 2.374 2.276 2.482 . 0 0 "[ . 1 . 2 .]" 1
197 1 22 VAL H 1 22 VAL MG1 2.000 . 5.500 3.698 3.682 3.707 . 0 0 "[ . 1 . 2 .]" 1
198 1 22 VAL H 1 22 VAL MG2 2.000 . 4.500 2.119 1.911 2.387 . 0 0 "[ . 1 . 2 .]" 1
199 1 22 VAL H 1 23 LYS H 2.000 . 3.000 2.767 2.544 2.906 . 0 0 "[ . 1 . 2 .]" 1
200 1 22 VAL H 1 23 LYS QB 2.000 . 5.000 4.355 4.243 4.472 . 0 0 "[ . 1 . 2 .]" 1
201 1 22 VAL H 1 43 PHE QE 2.000 . 5.000 4.016 3.486 4.543 . 0 0 "[ . 1 . 2 .]" 1
202 1 22 VAL HA 1 23 LYS H 2.000 . 5.000 3.575 3.538 3.592 . 0 0 "[ . 1 . 2 .]" 1
203 1 22 VAL HA 1 24 ALA H 2.000 . 5.000 4.600 4.241 4.951 . 0 0 "[ . 1 . 2 .]" 1
204 1 22 VAL HA 1 25 GLY H 2.000 . 5.000 3.406 3.245 3.576 . 0 0 "[ . 1 . 2 .]" 1
205 1 22 VAL HA 1 26 VAL H 2.000 . 5.000 4.069 3.971 4.357 . 0 0 "[ . 1 . 2 .]" 1
206 1 22 VAL HA 1 37 ILE MG 2.000 . 5.500 2.601 2.288 2.943 . 0 0 "[ . 1 . 2 .]" 1
207 1 22 VAL HA 1 43 PHE HZ 2.000 . 4.000 3.449 2.689 3.992 . 0 0 "[ . 1 . 2 .]" 1
208 1 22 VAL HA 1 51 ILE MG 2.000 . 6.500 3.255 2.911 3.593 . 0 0 "[ . 1 . 2 .]" 1
209 1 22 VAL HB 1 23 LYS H 2.000 . 4.000 2.444 2.115 2.690 . 0 0 "[ . 1 . 2 .]" 1
210 1 22 VAL MG1 1 23 LYS HA 2.000 . 6.500 3.458 3.347 3.682 . 0 0 "[ . 1 . 2 .]" 1
211 1 22 VAL MG1 1 25 GLY H 2.000 . 6.500 4.571 4.333 4.793 . 0 0 "[ . 1 . 2 .]" 1
212 1 22 VAL MG1 1 25 GLY QA 2.000 . 7.500 4.703 4.470 5.038 . 0 0 "[ . 1 . 2 .]" 1
213 1 22 VAL MG1 1 26 VAL H 2.000 . 6.500 4.110 3.861 4.535 . 0 0 "[ . 1 . 2 .]" 1
214 1 22 VAL MG1 1 26 VAL MG2 2.000 . 7.000 2.398 1.989 4.166 . 0 0 "[ . 1 . 2 .]" 1
215 1 22 VAL MG1 1 34 TRP HZ3 2.000 . 5.500 2.642 1.925 3.180 . 0 0 "[ . 1 . 2 .]" 1
216 1 22 VAL MG1 1 43 PHE QE 2.000 . 7.500 4.734 4.296 5.193 . 0 0 "[ . 1 . 2 .]" 1
217 1 22 VAL MG1 1 43 PHE HZ 2.000 . 6.500 4.310 3.940 4.715 . 0 0 "[ . 1 . 2 .]" 1
218 1 22 VAL MG1 1 55 TRP HB2 2.000 . 5.500 2.882 2.521 3.142 . 0 0 "[ . 1 . 2 .]" 1
219 1 22 VAL MG1 1 55 TRP HB3 2.000 . 5.500 4.318 3.954 4.576 . 0 0 "[ . 1 . 2 .]" 1
220 1 22 VAL MG1 1 55 TRP HD1 2.000 . 6.500 5.335 5.026 5.493 . 0 0 "[ . 1 . 2 .]" 1
221 1 22 VAL MG1 1 55 TRP HE3 2.000 . 5.500 2.054 1.791 2.467 0.009 18 0 "[ . 1 . 2 .]" 1
222 1 22 VAL MG1 1 55 TRP HZ2 2.000 . 6.500 5.201 4.716 5.357 . 0 0 "[ . 1 . 2 .]" 1
223 1 22 VAL MG1 1 55 TRP HZ3 2.000 . 6.500 2.773 2.284 3.424 . 0 0 "[ . 1 . 2 .]" 1
224 1 22 VAL MG1 1 58 MET ME 2.000 . 7.000 3.309 2.569 3.950 . 0 0 "[ . 1 . 2 .]" 1
225 1 22 VAL MG2 1 23 LYS H 2.000 . 5.500 3.816 3.633 3.930 . 0 0 "[ . 1 . 2 .]" 1
226 1 22 VAL MG2 1 34 TRP HZ3 2.000 . 6.500 4.486 3.859 5.154 . 0 0 "[ . 1 . 2 .]" 1
227 1 22 VAL MG2 1 43 PHE QE 2.000 . 6.500 2.809 2.258 3.191 . 0 0 "[ . 1 . 2 .]" 1
228 1 22 VAL MG2 1 43 PHE HZ 2.000 . 4.500 1.908 1.790 2.159 0.010 4 0 "[ . 1 . 2 .]" 1
229 1 22 VAL MG2 1 51 ILE MD 2.000 . 7.000 3.202 2.632 3.885 . 0 0 "[ . 1 . 2 .]" 1
230 1 23 LYS H 1 23 LYS HA 2.000 . 3.000 2.850 2.813 2.915 . 0 0 "[ . 1 . 2 .]" 1
231 1 23 LYS H 1 23 LYS HB2 2.000 . 3.000 2.180 1.942 2.557 . 0 0 "[ . 1 . 2 .]" 1
232 1 23 LYS H 1 23 LYS HB3 2.000 . 4.000 2.763 2.362 3.226 . 0 0 "[ . 1 . 2 .]" 1
233 1 23 LYS H 1 23 LYS QG 2.000 . 5.000 3.764 3.287 3.953 . 0 0 "[ . 1 . 2 .]" 1
234 1 23 LYS H 1 24 ALA H 2.000 . 3.000 2.785 2.491 2.904 . 0 0 "[ . 1 . 2 .]" 1
235 1 23 LYS H 1 25 GLY H 2.000 . 5.000 3.919 3.684 4.188 . 0 0 "[ . 1 . 2 .]" 1
236 1 23 LYS HA 1 24 ALA H 2.000 . 4.000 3.576 3.544 3.594 . 0 0 "[ . 1 . 2 .]" 1
237 1 23 LYS HA 1 26 VAL H 2.000 . 5.000 3.596 3.515 3.635 . 0 0 "[ . 1 . 2 .]" 1
238 1 23 LYS HA 1 26 VAL HB 2.000 . 5.000 3.058 2.815 4.143 . 0 0 "[ . 1 . 2 .]" 1
239 1 23 LYS HA 1 26 VAL MG2 2.000 . 6.500 3.154 2.796 4.657 . 0 0 "[ . 1 . 2 .]" 1
240 1 23 LYS HA 1 27 GLN H 2.000 . 5.000 4.337 4.195 4.424 . 0 0 "[ . 1 . 2 .]" 1
241 1 23 LYS HA 1 55 TRP HE3 2.000 . 5.000 4.552 4.299 4.886 . 0 0 "[ . 1 . 2 .]" 1
242 1 23 LYS HA 1 55 TRP HH2 2.000 . 5.000 2.715 2.085 3.615 . 0 0 "[ . 1 . 2 .]" 1
243 1 23 LYS HA 1 55 TRP HZ3 2.000 . 3.000 2.595 2.112 3.001 0.001 11 0 "[ . 1 . 2 .]" 1
244 1 23 LYS HA 1 58 MET ME 2.000 . 6.500 4.533 3.946 5.196 . 0 0 "[ . 1 . 2 .]" 1
245 1 23 LYS HB2 1 24 ALA H 2.000 . 4.000 3.509 3.032 3.918 . 0 0 "[ . 1 . 2 .]" 1
246 1 23 LYS HB3 1 24 ALA H 2.000 . 4.000 2.478 2.199 2.798 . 0 0 "[ . 1 . 2 .]" 1
247 1 23 LYS QD 1 24 ALA H 2.000 . 6.000 4.405 3.211 5.084 . 0 0 "[ . 1 . 2 .]" 1
248 1 23 LYS QG 1 24 ALA H 2.000 . 6.000 3.913 3.067 4.334 . 0 0 "[ . 1 . 2 .]" 1
249 1 24 ALA H 1 24 ALA HA 2.000 . 3.000 2.900 2.864 2.928 . 0 0 "[ . 1 . 2 .]" 1
250 1 24 ALA H 1 24 ALA MB 2.000 . 4.500 2.022 1.925 2.170 . 0 0 "[ . 1 . 2 .]" 1
251 1 24 ALA H 1 25 GLY H 2.000 . 3.000 2.524 2.423 2.646 . 0 0 "[ . 1 . 2 .]" 1
252 1 24 ALA HA 1 25 GLY H 2.000 . 5.000 3.507 3.479 3.551 . 0 0 "[ . 1 . 2 .]" 1
253 1 24 ALA HA 1 27 GLN H 2.000 . 4.000 3.464 3.300 3.553 . 0 0 "[ . 1 . 2 .]" 1
254 1 24 ALA HA 1 27 GLN HB2 2.000 . 4.000 3.609 2.838 4.177 0.177 11 0 "[ . 1 . 2 .]" 1
255 1 24 ALA HA 1 27 GLN HB3 2.000 . 4.000 3.121 2.770 3.609 . 0 0 "[ . 1 . 2 .]" 1
256 1 24 ALA HA 1 28 LYS H 2.000 . 5.000 4.274 4.107 4.373 . 0 0 "[ . 1 . 2 .]" 1
257 1 24 ALA MB 1 25 GLY H 2.000 . 4.500 2.796 2.573 2.907 . 0 0 "[ . 1 . 2 .]" 1
258 1 24 ALA MB 1 25 GLY HA2 2.000 . 6.500 3.867 3.760 3.947 . 0 0 "[ . 1 . 2 .]" 1
259 1 24 ALA MB 1 25 GLY HA3 2.000 . 6.500 4.290 4.176 4.370 . 0 0 "[ . 1 . 2 .]" 1
260 1 24 ALA MB 1 27 GLN H 2.000 . 6.500 4.674 4.539 4.815 . 0 0 "[ . 1 . 2 .]" 1
261 1 24 ALA MB 1 41 TYR QE 2.000 . 7.500 2.221 1.931 2.538 . 0 0 "[ . 1 . 2 .]" 1
262 1 25 GLY H 1 26 VAL H 2.000 . 4.000 2.463 2.383 2.643 . 0 0 "[ . 1 . 2 .]" 1
263 1 25 GLY H 1 27 GLN H 2.000 . 5.000 4.012 3.772 4.308 . 0 0 "[ . 1 . 2 .]" 1
264 1 25 GLY H 1 37 ILE MD 2.000 . 7.000 4.253 3.949 4.661 . 0 0 "[ . 1 . 2 .]" 1
265 1 25 GLY H 1 37 ILE HG12 2.000 . 5.000 4.457 4.281 4.754 . 0 0 "[ . 1 . 2 .]" 1
266 1 25 GLY H 1 41 TYR QD 2.000 . 7.000 4.934 4.682 5.102 . 0 0 "[ . 1 . 2 .]" 1
267 1 25 GLY H 1 41 TYR QE 2.000 . 6.000 3.790 3.277 4.212 . 0 0 "[ . 1 . 2 .]" 1
268 1 25 GLY QA 1 26 VAL H 2.000 . 5.000 2.814 2.715 2.871 . 0 0 "[ . 1 . 2 .]" 1
269 1 25 GLY QA 1 26 VAL MG1 2.000 . 7.500 5.227 4.300 5.285 . 0 0 "[ . 1 . 2 .]" 1
270 1 25 GLY QA 1 26 VAL MG2 2.000 . 7.500 3.696 3.485 5.173 . 0 0 "[ . 1 . 2 .]" 1
271 1 25 GLY QA 1 27 GLN H 2.000 . 6.000 4.080 3.826 4.363 . 0 0 "[ . 1 . 2 .]" 1
272 1 25 GLY QA 1 28 LYS H 2.000 . 5.000 3.459 3.334 3.612 . 0 0 "[ . 1 . 2 .]" 1
273 1 25 GLY HA2 1 28 LYS QB 2.000 . 6.000 2.876 2.440 3.155 . 0 0 "[ . 1 . 2 .]" 1
274 1 25 GLY HA2 1 29 TYR QD 2.000 . 6.000 2.698 2.129 3.194 . 0 0 "[ . 1 . 2 .]" 1
275 1 25 GLY HA2 1 29 TYR QE 2.000 . 7.000 3.789 2.893 4.661 . 0 0 "[ . 1 . 2 .]" 1
276 1 25 GLY HA2 1 37 ILE MD 2.000 . 5.500 3.776 3.435 4.112 . 0 0 "[ . 1 . 2 .]" 1
277 1 25 GLY HA2 1 37 ILE HG12 2.000 . 5.000 2.792 2.429 3.167 . 0 0 "[ . 1 . 2 .]" 1
278 1 25 GLY HA2 1 37 ILE HG13 2.000 . 5.000 4.394 4.057 4.827 . 0 0 "[ . 1 . 2 .]" 1
279 1 25 GLY HA2 1 37 ILE MG 2.000 . 5.500 3.310 2.909 3.590 . 0 0 "[ . 1 . 2 .]" 1
280 1 25 GLY HA2 1 41 TYR QD 2.000 . 7.000 4.509 4.199 4.842 . 0 0 "[ . 1 . 2 .]" 1
281 1 25 GLY HA2 1 41 TYR QE 2.000 . 5.000 2.762 2.377 3.324 . 0 0 "[ . 1 . 2 .]" 1
282 1 25 GLY HA3 1 28 LYS QB 2.000 . 6.000 4.426 4.045 4.640 . 0 0 "[ . 1 . 2 .]" 1
283 1 25 GLY HA3 1 29 TYR QD 2.000 . 6.000 3.665 3.143 4.134 . 0 0 "[ . 1 . 2 .]" 1
284 1 25 GLY HA3 1 29 TYR QE 2.000 . 7.000 4.939 4.229 5.493 . 0 0 "[ . 1 . 2 .]" 1
285 1 25 GLY HA3 1 37 ILE MD 2.000 . 5.500 2.744 2.425 3.096 . 0 0 "[ . 1 . 2 .]" 1
286 1 25 GLY HA3 1 37 ILE HG12 2.000 . 5.000 2.119 1.935 2.411 . 0 0 "[ . 1 . 2 .]" 1
287 1 25 GLY HA3 1 37 ILE HG13 2.000 . 5.000 3.851 3.672 4.167 . 0 0 "[ . 1 . 2 .]" 1
288 1 25 GLY HA3 1 37 ILE MG 2.000 . 5.500 2.044 1.885 2.252 . 0 0 "[ . 1 . 2 .]" 1
289 1 25 GLY HA3 1 41 TYR QD 2.000 . 7.000 4.311 4.009 4.633 . 0 0 "[ . 1 . 2 .]" 1
290 1 25 GLY HA3 1 41 TYR QE 2.000 . 5.000 3.377 2.952 3.907 . 0 0 "[ . 1 . 2 .]" 1
291 1 26 VAL H 1 26 VAL HB 2.000 . 3.000 2.337 2.268 2.512 . 0 0 "[ . 1 . 2 .]" 1
292 1 26 VAL H 1 26 VAL MG1 2.000 . 6.500 3.637 2.055 3.723 . 0 0 "[ . 1 . 2 .]" 1
293 1 26 VAL H 1 26 VAL MG2 2.000 . 4.500 2.342 2.087 3.749 . 0 0 "[ . 1 . 2 .]" 1
294 1 26 VAL H 1 27 GLN H 2.000 . 3.000 2.489 2.315 2.661 . 0 0 "[ . 1 . 2 .]" 1
295 1 26 VAL H 1 27 GLN QB 2.000 . 6.000 4.301 4.121 4.450 . 0 0 "[ . 1 . 2 .]" 1
296 1 26 VAL H 1 28 LYS H 2.000 . 5.000 3.919 3.738 4.128 . 0 0 "[ . 1 . 2 .]" 1
297 1 26 VAL H 1 37 ILE MD 2.000 . 6.500 3.378 3.026 3.738 . 0 0 "[ . 1 . 2 .]" 1
298 1 26 VAL HA 1 27 GLN H 2.000 . 5.000 3.579 3.535 3.618 . 0 0 "[ . 1 . 2 .]" 1
299 1 26 VAL HA 1 29 TYR H 2.000 . 4.000 3.606 3.515 3.633 . 0 0 "[ . 1 . 2 .]" 1
300 1 26 VAL HA 1 29 TYR QD 2.000 . 7.000 4.907 4.553 5.597 . 0 0 "[ . 1 . 2 .]" 1
301 1 26 VAL HA 1 37 ILE MD 2.000 . 5.500 2.772 2.391 3.138 . 0 0 "[ . 1 . 2 .]" 1
302 1 26 VAL HA 1 37 ILE MG 2.000 . 6.500 5.060 4.613 5.289 . 0 0 "[ . 1 . 2 .]" 1
303 1 26 VAL HB 1 27 GLN H 2.000 . 4.000 2.703 2.354 3.953 . 0 0 "[ . 1 . 2 .]" 1
304 1 26 VAL MG1 1 27 GLN H 2.000 . 4.500 3.454 1.919 3.690 . 0 0 "[ . 1 . 2 .]" 1
305 1 26 VAL MG1 1 27 GLN HA 2.000 . 6.500 3.605 3.359 3.811 . 0 0 "[ . 1 . 2 .]" 1
306 1 26 VAL MG1 1 30 GLY H 2.000 . 6.500 3.827 3.563 4.685 . 0 0 "[ . 1 . 2 .]" 1
307 1 26 VAL MG1 1 31 GLU H 2.000 . 6.500 3.066 2.470 4.908 . 0 0 "[ . 1 . 2 .]" 1
308 1 26 VAL MG1 1 31 GLU QB 2.000 . 7.500 2.883 2.279 4.585 . 0 0 "[ . 1 . 2 .]" 1
309 1 26 VAL MG1 1 31 GLU QG 2.000 . 7.500 3.889 2.777 4.496 . 0 0 "[ . 1 . 2 .]" 1
310 1 26 VAL MG1 1 32 GLY H 2.000 . 7.500 5.095 4.617 6.146 . 0 0 "[ . 1 . 2 .]" 1
311 1 26 VAL MG1 1 37 ILE MD 2.000 . 8.000 4.109 3.765 4.509 . 0 0 "[ . 1 . 2 .]" 1
312 1 26 VAL MG1 1 55 TRP HE1 2.000 . 5.500 3.017 2.354 3.729 . 0 0 "[ . 1 . 2 .]" 1
313 1 26 VAL MG1 1 55 TRP HH2 2.000 . 6.500 3.452 2.773 3.942 . 0 0 "[ . 1 . 2 .]" 1
314 1 26 VAL MG1 1 55 TRP HZ2 2.000 . 6.500 2.339 2.033 2.661 . 0 0 "[ . 1 . 2 .]" 1
315 1 26 VAL MG2 1 27 GLN H 2.000 . 6.500 3.887 3.786 4.021 . 0 0 "[ . 1 . 2 .]" 1
316 1 26 VAL MG2 1 30 GLY H 2.000 . 7.500 4.888 3.839 5.413 . 0 0 "[ . 1 . 2 .]" 1
317 1 26 VAL MG2 1 30 GLY QA 2.000 . 7.500 4.718 3.477 5.057 . 0 0 "[ . 1 . 2 .]" 1
318 1 26 VAL MG2 1 31 GLU H 2.000 . 6.500 4.742 2.965 5.297 . 0 0 "[ . 1 . 2 .]" 1
319 1 26 VAL MG2 1 32 GLY H 2.000 . 7.500 4.979 3.457 5.530 . 0 0 "[ . 1 . 2 .]" 1
320 1 26 VAL MG2 1 34 TRP HH2 2.000 . 6.500 2.204 1.919 2.611 . 0 0 "[ . 1 . 2 .]" 1
321 1 26 VAL MG2 1 34 TRP HZ3 2.000 . 6.500 2.067 1.816 3.202 . 0 0 "[ . 1 . 2 .]" 1
322 1 26 VAL MG2 1 37 ILE MD 2.000 . 7.000 2.474 2.019 3.494 . 0 0 "[ . 1 . 2 .]" 1
323 1 26 VAL MG2 1 55 TRP HB3 2.000 . 6.500 4.776 4.512 5.239 . 0 0 "[ . 1 . 2 .]" 1
324 1 26 VAL MG2 1 55 TRP HE1 2.000 . 6.500 3.804 2.723 4.319 . 0 0 "[ . 1 . 2 .]" 1
325 1 26 VAL MG2 1 55 TRP HE3 2.000 . 6.500 3.573 3.191 4.981 . 0 0 "[ . 1 . 2 .]" 1
326 1 27 GLN H 1 27 GLN HA 2.000 . 3.000 2.892 2.849 2.916 . 0 0 "[ . 1 . 2 .]" 1
327 1 27 GLN H 1 27 GLN HB2 2.000 . 3.000 2.446 2.169 2.706 . 0 0 "[ . 1 . 2 .]" 1
328 1 27 GLN H 1 27 GLN HB3 2.000 . 3.000 2.753 2.454 3.114 0.114 25 0 "[ . 1 . 2 .]" 1
329 1 27 GLN H 1 27 GLN HG2 2.000 . 5.000 4.601 4.406 4.732 . 0 0 "[ . 1 . 2 .]" 1
330 1 27 GLN H 1 27 GLN HG3 2.000 . 5.000 4.411 4.090 4.663 . 0 0 "[ . 1 . 2 .]" 1
331 1 27 GLN H 1 28 LYS H 2.000 . 3.000 2.539 2.432 2.672 . 0 0 "[ . 1 . 2 .]" 1
332 1 27 GLN H 1 29 TYR H 2.000 . 5.000 4.203 4.000 4.491 . 0 0 "[ . 1 . 2 .]" 1
333 1 27 GLN H 1 37 ILE MD 2.000 . 7.000 5.067 4.703 5.530 . 0 0 "[ . 1 . 2 .]" 1
334 1 27 GLN HA 1 28 LYS H 2.000 . 5.000 3.478 3.452 3.500 . 0 0 "[ . 1 . 2 .]" 1
335 1 27 GLN HB2 1 28 LYS H 2.000 . 4.000 3.971 3.643 4.182 0.182 21 0 "[ . 1 . 2 .]" 1
336 1 27 GLN HB3 1 28 LYS H 2.000 . 3.000 3.046 2.951 3.163 0.163 25 0 "[ . 1 . 2 .]" 1
337 1 28 LYS H 1 28 LYS HA 2.000 . 3.000 2.957 2.955 2.959 . 0 0 "[ . 1 . 2 .]" 1
338 1 28 LYS H 1 28 LYS HB2 2.000 . 3.000 2.214 2.029 2.550 . 0 0 "[ . 1 . 2 .]" 1
339 1 28 LYS H 1 28 LYS HB3 2.000 . 4.000 3.131 2.473 3.584 . 0 0 "[ . 1 . 2 .]" 1
340 1 28 LYS H 1 28 LYS QD 2.000 . 5.000 4.269 3.922 4.516 . 0 0 "[ . 1 . 2 .]" 1
341 1 28 LYS H 1 28 LYS HG2 2.000 . 5.000 3.966 2.428 4.606 . 0 0 "[ . 1 . 2 .]" 1
342 1 28 LYS H 1 28 LYS HG3 2.000 . 5.000 3.680 2.746 4.583 . 0 0 "[ . 1 . 2 .]" 1
343 1 28 LYS H 1 29 TYR H 2.000 . 3.000 2.398 2.354 2.469 . 0 0 "[ . 1 . 2 .]" 1
344 1 28 LYS H 1 29 TYR HB2 2.000 . 5.000 4.517 4.391 4.765 . 0 0 "[ . 1 . 2 .]" 1
345 1 28 LYS H 1 30 GLY H 2.000 . 5.000 3.496 3.405 3.577 . 0 0 "[ . 1 . 2 .]" 1
346 1 28 LYS HA 1 29 TYR H 2.000 . 5.000 3.573 3.541 3.595 . 0 0 "[ . 1 . 2 .]" 1
347 1 28 LYS QB 1 30 GLY H 2.000 . 6.000 4.388 4.271 4.507 . 0 0 "[ . 1 . 2 .]" 1
348 1 28 LYS HB2 1 29 TYR H 2.000 . 4.000 3.117 2.577 3.836 . 0 0 "[ . 1 . 2 .]" 1
349 1 28 LYS HB2 1 29 TYR QD 2.000 . 6.000 3.432 2.353 5.060 . 0 0 "[ . 1 . 2 .]" 1
350 1 28 LYS HB2 1 29 TYR QE 2.000 . 7.000 4.129 2.750 5.674 . 0 0 "[ . 1 . 2 .]" 1
351 1 28 LYS QD 1 29 TYR QD 2.000 . 8.000 4.384 3.451 5.293 . 0 0 "[ . 1 . 2 .]" 1
352 1 28 LYS QD 1 29 TYR QE 2.000 . 6.000 3.690 2.679 4.787 . 0 0 "[ . 1 . 2 .]" 1
353 1 28 LYS QG 1 29 TYR QD 2.000 . 8.000 4.318 3.032 5.279 . 0 0 "[ . 1 . 2 .]" 1
354 1 28 LYS QG 1 29 TYR QE 2.000 . 7.000 4.267 2.603 5.569 . 0 0 "[ . 1 . 2 .]" 1
355 1 28 LYS HG2 1 29 TYR H 2.000 . 5.000 4.641 4.004 5.005 0.005 18 0 "[ . 1 . 2 .]" 1
356 1 28 LYS HG3 1 29 TYR H 2.000 . 5.000 4.755 4.304 5.015 0.015 8 0 "[ . 1 . 2 .]" 1
357 1 29 TYR H 1 29 TYR HB3 2.000 . 4.000 3.596 3.527 3.695 . 0 0 "[ . 1 . 2 .]" 1
358 1 29 TYR H 1 29 TYR QD 2.000 . 6.000 2.677 2.023 3.577 . 0 0 "[ . 1 . 2 .]" 1
359 1 29 TYR H 1 30 GLY H 2.000 . 4.000 2.217 1.985 2.558 . 0 0 "[ . 1 . 2 .]" 1
360 1 29 TYR H 1 30 GLY QA 2.000 . 6.000 4.187 4.031 4.341 . 0 0 "[ . 1 . 2 .]" 1
361 1 29 TYR H 1 37 ILE MD 2.000 . 6.500 4.210 3.817 4.618 . 0 0 "[ . 1 . 2 .]" 1
362 1 29 TYR H 1 37 ILE HG13 2.000 . 6.000 4.986 4.608 5.275 . 0 0 "[ . 1 . 2 .]" 1
363 1 29 TYR HA 1 29 TYR QD 2.000 . 5.000 2.655 1.922 3.028 . 0 0 "[ . 1 . 2 .]" 1
364 1 29 TYR HA 1 30 GLY H 2.000 . 5.000 3.398 3.163 3.497 . 0 0 "[ . 1 . 2 .]" 1
365 1 29 TYR HA 1 36 ALA MB 2.000 . 6.500 4.948 4.623 5.317 . 0 0 "[ . 1 . 2 .]" 1
366 1 29 TYR HB2 1 30 GLY H 2.000 . 5.000 3.280 2.944 3.814 . 0 0 "[ . 1 . 2 .]" 1
367 1 29 TYR HB2 1 37 ILE H 2.000 . 5.000 4.794 4.472 4.955 . 0 0 "[ . 1 . 2 .]" 1
368 1 29 TYR HB3 1 30 GLY H 2.000 . 5.000 4.056 3.790 4.367 . 0 0 "[ . 1 . 2 .]" 1
369 1 29 TYR HB3 1 37 ILE H 2.000 . 5.000 4.916 4.677 5.015 0.015 24 0 "[ . 1 . 2 .]" 1
370 1 29 TYR QD 1 36 ALA MB 2.000 . 6.500 2.983 2.336 3.525 . 0 0 "[ . 1 . 2 .]" 1
371 1 29 TYR QD 1 37 ILE HA 2.000 . 7.000 3.964 3.073 4.542 . 0 0 "[ . 1 . 2 .]" 1
372 1 29 TYR QD 1 37 ILE MD 2.000 . 7.500 3.787 3.307 4.422 . 0 0 "[ . 1 . 2 .]" 1
373 1 29 TYR QD 1 37 ILE HG13 2.000 . 6.000 3.310 2.317 4.081 . 0 0 "[ . 1 . 2 .]" 1
374 1 29 TYR QD 1 37 ILE MG 2.000 . 8.500 4.268 3.546 4.758 . 0 0 "[ . 1 . 2 .]" 1
375 1 29 TYR QD 1 40 ASN HB2 2.000 . 7.000 5.475 4.904 6.153 . 0 0 "[ . 1 . 2 .]" 1
376 1 29 TYR QD 1 40 ASN HB3 2.000 . 7.000 5.063 4.225 5.577 . 0 0 "[ . 1 . 2 .]" 1
377 1 29 TYR QE 1 36 ALA MB 2.000 . 7.500 3.166 2.385 3.779 . 0 0 "[ . 1 . 2 .]" 1
378 1 29 TYR QE 1 37 ILE HA 2.000 . 7.000 3.928 3.108 4.744 . 0 0 "[ . 1 . 2 .]" 1
379 1 29 TYR QE 1 37 ILE MD 2.000 . 8.500 5.328 4.986 5.814 . 0 0 "[ . 1 . 2 .]" 1
380 1 29 TYR QE 1 37 ILE HG13 2.000 . 7.500 4.646 4.133 5.376 . 0 0 "[ . 1 . 2 .]" 1
381 1 29 TYR QE 1 40 ASN HB2 2.000 . 7.000 3.957 3.380 4.809 . 0 0 "[ . 1 . 2 .]" 1
382 1 29 TYR QE 1 40 ASN HB3 2.000 . 6.000 3.563 2.805 4.468 . 0 0 "[ . 1 . 2 .]" 1
383 1 30 GLY H 1 31 GLU H 2.000 . 5.000 4.387 4.098 4.660 . 0 0 "[ . 1 . 2 .]" 1
384 1 30 GLY H 1 37 ILE MD 2.000 . 6.500 4.641 4.266 5.129 . 0 0 "[ . 1 . 2 .]" 1
385 1 30 GLY QA 1 31 GLU H 2.000 . 3.000 2.264 2.188 2.327 . 0 0 "[ . 1 . 2 .]" 1
386 1 31 GLU H 1 31 GLU HA 2.000 . 3.000 2.873 2.805 2.958 . 0 0 "[ . 1 . 2 .]" 1
387 1 31 GLU H 1 31 GLU HB2 2.000 . 4.000 3.171 2.033 3.574 . 0 0 "[ . 1 . 2 .]" 1
388 1 31 GLU H 1 31 GLU HB3 2.000 . 3.000 2.508 2.338 2.940 . 0 0 "[ . 1 . 2 .]" 1
389 1 31 GLU H 1 31 GLU QG 2.000 . 5.000 2.655 1.918 4.020 . 0 0 "[ . 1 . 2 .]" 1
390 1 31 GLU H 1 32 GLY H 2.000 . 5.000 4.554 4.281 4.694 . 0 0 "[ . 1 . 2 .]" 1
391 1 31 GLU HA 1 32 GLY H 2.000 . 3.000 2.257 2.203 2.496 . 0 0 "[ . 1 . 2 .]" 1
392 1 31 GLU HA 1 33 ASN H 2.000 . 4.000 3.748 3.318 4.010 0.010 15 0 "[ . 1 . 2 .]" 1
393 1 31 GLU HA 1 34 TRP HE1 2.000 . 5.000 4.869 4.595 5.019 0.019 5 0 "[ . 1 . 2 .]" 1
394 1 31 GLU HA 1 34 TRP HZ2 2.000 . 5.000 3.508 2.989 3.834 . 0 0 "[ . 1 . 2 .]" 1
395 1 31 GLU HA 1 34 TRP HZ3 2.000 . 5.000 4.577 3.867 5.004 0.004 6 0 "[ . 1 . 2 .]" 1
396 1 31 GLU QB 1 34 TRP HZ2 2.000 . 6.000 3.274 2.246 4.238 . 0 0 "[ . 1 . 2 .]" 1
397 1 31 GLU HB2 1 32 GLY H 2.000 . 5.000 3.655 2.509 4.688 . 0 0 "[ . 1 . 2 .]" 1
398 1 31 GLU HB3 1 32 GLY H 2.000 . 5.000 4.246 3.872 4.461 . 0 0 "[ . 1 . 2 .]" 1
399 1 31 GLU HB3 1 55 TRP HE1 2.000 . 5.000 3.917 3.162 5.020 0.020 24 0 "[ . 1 . 2 .]" 1
400 1 31 GLU QG 1 32 GLY H 2.000 . 6.000 3.817 2.840 4.363 . 0 0 "[ . 1 . 2 .]" 1
401 1 31 GLU QG 1 34 TRP HZ2 2.000 . 6.000 4.042 1.848 5.368 . 0 0 "[ . 1 . 2 .]" 1
402 1 31 GLU QG 1 55 TRP HE1 2.000 . 6.000 4.375 2.286 5.230 . 0 0 "[ . 1 . 2 .]" 1
403 1 32 GLY H 1 33 ASN H 2.000 . 4.000 2.439 1.968 3.154 . 0 0 "[ . 1 . 2 .]" 1
404 1 32 GLY H 1 34 TRP H 2.000 . 5.000 4.023 3.358 4.753 . 0 0 "[ . 1 . 2 .]" 1
405 1 32 GLY H 1 34 TRP HE1 2.000 . 5.000 3.607 2.880 4.365 . 0 0 "[ . 1 . 2 .]" 1
406 1 32 GLY H 1 34 TRP HZ2 2.000 . 5.000 3.765 2.997 4.251 . 0 0 "[ . 1 . 2 .]" 1
407 1 32 GLY H 1 37 ILE MD 2.000 . 6.500 4.473 4.122 4.907 . 0 0 "[ . 1 . 2 .]" 1
408 1 32 GLY QA 1 33 ASN H 2.000 . 4.000 2.784 2.672 2.897 . 0 0 "[ . 1 . 2 .]" 1
409 1 32 GLY QA 1 34 TRP H 2.000 . 6.000 4.197 3.702 4.749 . 0 0 "[ . 1 . 2 .]" 1
410 1 32 GLY QA 1 34 TRP HZ2 2.000 . 6.000 4.982 4.441 5.266 . 0 0 "[ . 1 . 2 .]" 1
411 1 33 ASN H 1 33 ASN HA 2.000 . 3.000 2.991 2.971 3.003 0.003 19 0 "[ . 1 . 2 .]" 1
412 1 33 ASN H 1 33 ASN HB2 2.000 . 3.000 2.262 2.073 2.494 . 0 0 "[ . 1 . 2 .]" 1
413 1 33 ASN H 1 33 ASN HB3 2.000 . 4.000 3.492 3.054 3.708 . 0 0 "[ . 1 . 2 .]" 1
414 1 33 ASN H 1 34 TRP H 2.000 . 5.000 3.584 3.032 4.083 . 0 0 "[ . 1 . 2 .]" 1
415 1 33 ASN H 1 37 ILE MD 2.000 . 5.500 4.184 3.935 4.390 . 0 0 "[ . 1 . 2 .]" 1
416 1 33 ASN HA 1 33 ASN QD 2.000 . 6.000 3.273 1.981 4.038 . 0 0 "[ . 1 . 2 .]" 1
417 1 33 ASN HA 1 34 TRP H 2.000 . 3.000 2.549 2.300 2.780 . 0 0 "[ . 1 . 2 .]" 1
418 1 33 ASN HA 1 35 ALA H 2.000 . 5.000 3.643 3.375 3.839 . 0 0 "[ . 1 . 2 .]" 1
419 1 33 ASN HA 1 36 ALA H 2.000 . 5.000 3.876 3.452 4.149 . 0 0 "[ . 1 . 2 .]" 1
420 1 33 ASN HB2 1 34 TRP H 2.000 . 5.000 4.500 4.328 4.641 . 0 0 "[ . 1 . 2 .]" 1
421 1 33 ASN HB2 1 36 ALA H 2.000 . 5.000 4.751 4.343 5.020 0.020 2 0 "[ . 1 . 2 .]" 1
422 1 33 ASN HB2 1 37 ILE H 2.000 . 6.000 5.215 4.711 5.906 . 0 0 "[ . 1 . 2 .]" 1
423 1 33 ASN HB2 1 37 ILE MD 2.000 . 7.500 4.338 3.794 4.971 . 0 0 "[ . 1 . 2 .]" 1
424 1 33 ASN HB3 1 34 TRP H 2.000 . 5.000 4.296 4.049 4.417 . 0 0 "[ . 1 . 2 .]" 1
425 1 33 ASN HB3 1 36 ALA H 2.000 . 5.000 3.286 3.049 3.523 . 0 0 "[ . 1 . 2 .]" 1
426 1 33 ASN HB3 1 37 ILE MD 2.000 . 6.500 4.537 3.908 5.279 . 0 0 "[ . 1 . 2 .]" 1
427 1 33 ASN QD 1 36 ALA MB 2.000 . 6.500 3.432 2.437 4.481 . 0 0 "[ . 1 . 2 .]" 1
428 1 34 TRP H 1 34 TRP HA 2.000 . 3.000 2.888 2.802 2.972 . 0 0 "[ . 1 . 2 .]" 1
429 1 34 TRP H 1 34 TRP HB2 2.000 . 3.000 2.368 2.257 2.495 . 0 0 "[ . 1 . 2 .]" 1
430 1 34 TRP H 1 34 TRP HB3 2.000 . 4.000 3.534 3.523 3.594 . 0 0 "[ . 1 . 2 .]" 1
431 1 34 TRP H 1 35 ALA H 2.000 . 5.000 2.615 2.269 2.964 . 0 0 "[ . 1 . 2 .]" 1
432 1 34 TRP H 1 35 ALA MB 2.000 . 6.500 4.112 3.753 4.463 . 0 0 "[ . 1 . 2 .]" 1
433 1 34 TRP H 1 36 ALA H 2.000 . 5.000 4.150 3.835 4.361 . 0 0 "[ . 1 . 2 .]" 1
434 1 34 TRP H 1 37 ILE MD 2.000 . 6.500 4.279 3.776 4.714 . 0 0 "[ . 1 . 2 .]" 1
435 1 34 TRP HA 1 35 ALA H 2.000 . 5.000 3.563 3.513 3.590 . 0 0 "[ . 1 . 2 .]" 1
436 1 34 TRP HA 1 36 ALA H 2.000 . 5.000 4.137 3.870 4.331 . 0 0 "[ . 1 . 2 .]" 1
437 1 34 TRP HA 1 37 ILE H 2.000 . 5.000 3.409 3.202 3.603 . 0 0 "[ . 1 . 2 .]" 1
438 1 34 TRP HA 1 37 ILE MD 2.000 . 5.500 2.210 1.927 2.644 . 0 0 "[ . 1 . 2 .]" 1
439 1 34 TRP HA 1 37 ILE MG 2.000 . 6.500 4.311 4.034 4.556 . 0 0 "[ . 1 . 2 .]" 1
440 1 34 TRP HA 1 48 ALA MB 2.000 . 5.000 3.859 3.637 4.033 . 0 0 "[ . 1 . 2 .]" 1
441 1 34 TRP HA 1 51 ILE MG 2.000 . 6.500 3.702 3.268 4.040 . 0 0 "[ . 1 . 2 .]" 1
442 1 34 TRP HB2 1 35 ALA H 2.000 . 4.000 2.549 2.335 2.846 . 0 0 "[ . 1 . 2 .]" 1
443 1 34 TRP HB2 1 37 ILE MD 2.000 . 6.500 4.833 4.550 5.156 . 0 0 "[ . 1 . 2 .]" 1
444 1 34 TRP HB2 1 48 ALA HA 2.000 . 5.000 3.608 3.159 4.178 . 0 0 "[ . 1 . 2 .]" 1
445 1 34 TRP HB2 1 48 ALA MB 2.000 . 4.000 2.001 1.852 2.397 . 0 0 "[ . 1 . 2 .]" 1
446 1 34 TRP HB2 1 51 ILE MG 2.000 . 6.500 4.948 4.466 5.274 . 0 0 "[ . 1 . 2 .]" 1
447 1 34 TRP HB3 1 34 TRP HD1 2.000 . 4.000 3.566 3.492 3.632 . 0 0 "[ . 1 . 2 .]" 1
448 1 34 TRP HB3 1 35 ALA H 2.000 . 5.000 3.612 3.341 3.854 . 0 0 "[ . 1 . 2 .]" 1
449 1 34 TRP HB3 1 36 ALA H 2.000 . 5.500 5.439 5.094 5.518 0.018 8 0 "[ . 1 . 2 .]" 1
450 1 34 TRP HB3 1 37 ILE MD 2.000 . 6.500 4.118 3.783 4.491 . 0 0 "[ . 1 . 2 .]" 1
451 1 34 TRP HB3 1 48 ALA MB 2.000 . 4.000 2.293 2.037 2.587 . 0 0 "[ . 1 . 2 .]" 1
452 1 34 TRP HB3 1 51 ILE MG 2.000 . 6.500 3.534 2.991 3.891 . 0 0 "[ . 1 . 2 .]" 1
453 1 34 TRP HE1 1 52 LYS HA 2.000 . 5.000 3.944 3.506 4.481 . 0 0 "[ . 1 . 2 .]" 1
454 1 34 TRP HE1 1 52 LYS HB2 2.000 . 5.500 3.613 3.277 4.142 . 0 0 "[ . 1 . 2 .]" 1
455 1 34 TRP HE1 1 52 LYS HB3 2.000 . 5.000 4.906 4.633 5.013 0.013 22 0 "[ . 1 . 2 .]" 1
456 1 34 TRP HE1 1 52 LYS QD 2.000 . 6.000 4.061 2.151 4.834 . 0 0 "[ . 1 . 2 .]" 1
457 1 34 TRP HE1 1 52 LYS QG 2.000 . 5.000 2.442 1.972 3.324 . 0 0 "[ . 1 . 2 .]" 1
458 1 34 TRP HE3 1 37 ILE MD 2.000 . 5.500 2.051 1.838 2.310 . 0 0 "[ . 1 . 2 .]" 1
459 1 34 TRP HE3 1 51 ILE MG 2.000 . 5.500 2.162 1.910 2.579 . 0 0 "[ . 1 . 2 .]" 1
460 1 34 TRP HZ2 1 52 LYS QG 2.000 . 5.000 3.611 3.119 4.336 . 0 0 "[ . 1 . 2 .]" 1
461 1 34 TRP HZ3 1 37 ILE MD 2.000 . 6.500 2.634 2.256 3.016 . 0 0 "[ . 1 . 2 .]" 1
462 1 34 TRP HZ3 1 37 ILE MG 2.000 . 6.500 4.173 3.439 4.614 . 0 0 "[ . 1 . 2 .]" 1
463 1 34 TRP HZ3 1 51 ILE MG 2.000 . 5.500 2.694 2.365 3.076 . 0 0 "[ . 1 . 2 .]" 1
464 1 35 ALA H 1 35 ALA MB 2.000 . 4.500 2.048 1.916 2.153 . 0 0 "[ . 1 . 2 .]" 1
465 1 35 ALA H 1 36 ALA H 2.000 . 4.000 2.773 2.550 2.881 . 0 0 "[ . 1 . 2 .]" 1
466 1 35 ALA H 1 36 ALA MB 2.000 . 6.500 4.300 4.019 4.421 . 0 0 "[ . 1 . 2 .]" 1
467 1 35 ALA H 1 48 ALA HA 2.000 . 5.000 4.809 4.336 4.999 . 0 0 "[ . 1 . 2 .]" 1
468 1 35 ALA H 1 48 ALA MB 2.000 . 6.500 2.675 2.242 3.017 . 0 0 "[ . 1 . 2 .]" 1
469 1 35 ALA HA 1 36 ALA H 2.000 . 4.000 3.546 3.490 3.572 . 0 0 "[ . 1 . 2 .]" 1
470 1 35 ALA HA 1 38 SER H 2.000 . 4.000 3.586 3.446 3.639 . 0 0 "[ . 1 . 2 .]" 1
471 1 35 ALA HA 1 39 LYS H 2.000 . 5.000 4.172 3.996 4.362 . 0 0 "[ . 1 . 2 .]" 1
472 1 35 ALA MB 1 36 ALA H 2.000 . 4.500 2.626 2.416 2.817 . 0 0 "[ . 1 . 2 .]" 1
473 1 36 ALA H 1 36 ALA HA 2.000 . 3.000 2.871 2.822 2.912 . 0 0 "[ . 1 . 2 .]" 1
474 1 36 ALA H 1 36 ALA MB 2.000 . 4.500 2.062 1.916 2.156 . 0 0 "[ . 1 . 2 .]" 1
475 1 36 ALA H 1 37 ILE HB 2.000 . 5.000 4.737 4.559 4.957 . 0 0 "[ . 1 . 2 .]" 1
476 1 36 ALA H 1 37 ILE HG13 2.000 . 5.000 4.277 3.927 4.570 . 0 0 "[ . 1 . 2 .]" 1
477 1 36 ALA H 1 38 SER H 2.000 . 5.000 4.179 3.902 4.504 . 0 0 "[ . 1 . 2 .]" 1
478 1 36 ALA HA 1 37 ILE H 2.000 . 5.000 3.578 3.554 3.596 . 0 0 "[ . 1 . 2 .]" 1
479 1 36 ALA HA 1 39 LYS H 2.000 . 4.000 3.501 3.342 3.635 . 0 0 "[ . 1 . 2 .]" 1
480 1 36 ALA HA 1 39 LYS HB2 2.000 . 5.000 3.289 2.267 4.718 . 0 0 "[ . 1 . 2 .]" 1
481 1 36 ALA HA 1 39 LYS HB3 2.000 . 5.000 3.469 2.251 4.709 . 0 0 "[ . 1 . 2 .]" 1
482 1 36 ALA HA 1 39 LYS HG2 2.000 . 5.000 4.446 2.003 5.029 0.029 16 0 "[ . 1 . 2 .]" 1
483 1 36 ALA HA 1 39 LYS HG3 2.000 . 5.000 4.364 3.199 5.029 0.029 20 0 "[ . 1 . 2 .]" 1
484 1 36 ALA HA 1 40 ASN H 2.000 . 5.000 4.307 4.001 4.414 . 0 0 "[ . 1 . 2 .]" 1
485 1 36 ALA MB 1 37 ILE H 2.000 . 6.500 2.389 2.140 2.689 . 0 0 "[ . 1 . 2 .]" 1
486 1 36 ALA MB 1 41 TYR QE 2.000 . 8.500 5.106 4.844 5.295 . 0 0 "[ . 1 . 2 .]" 1
487 1 37 ILE H 1 37 ILE HB 2.000 . 3.000 2.395 2.340 2.453 . 0 0 "[ . 1 . 2 .]" 1
488 1 37 ILE H 1 37 ILE MD 2.000 . 5.500 3.127 2.748 3.385 . 0 0 "[ . 1 . 2 .]" 1
489 1 37 ILE H 1 37 ILE HG12 2.000 . 5.000 3.453 3.301 3.535 . 0 0 "[ . 1 . 2 .]" 1
490 1 37 ILE H 1 37 ILE HG13 2.000 . 3.000 1.998 1.944 2.088 . 0 0 "[ . 1 . 2 .]" 1
491 1 37 ILE H 1 37 ILE MG 2.000 . 6.000 3.701 3.693 3.710 . 0 0 "[ . 1 . 2 .]" 1
492 1 37 ILE H 1 38 SER H 2.000 . 3.000 2.728 2.559 2.926 . 0 0 "[ . 1 . 2 .]" 1
493 1 37 ILE H 1 48 ALA MB 2.000 . 7.000 5.231 4.799 5.673 . 0 0 "[ . 1 . 2 .]" 1
494 1 37 ILE HA 1 38 SER H 2.000 . 4.000 3.571 3.522 3.597 . 0 0 "[ . 1 . 2 .]" 1
495 1 37 ILE HA 1 40 ASN H 2.000 . 5.000 3.390 3.237 3.618 . 0 0 "[ . 1 . 2 .]" 1
496 1 37 ILE HA 1 40 ASN HB2 2.000 . 5.000 3.834 3.537 4.324 . 0 0 "[ . 1 . 2 .]" 1
497 1 37 ILE HA 1 40 ASN HB3 2.000 . 5.000 2.878 2.402 3.353 . 0 0 "[ . 1 . 2 .]" 1
498 1 37 ILE HA 1 41 TYR QD 2.000 . 5.000 2.175 1.949 2.559 . 0 0 "[ . 1 . 2 .]" 1
499 1 37 ILE HA 1 41 TYR QE 2.000 . 6.000 2.824 2.601 3.155 . 0 0 "[ . 1 . 2 .]" 1
500 1 37 ILE HB 1 38 SER H 2.000 . 5.000 2.472 2.258 2.794 . 0 0 "[ . 1 . 2 .]" 1
501 1 37 ILE HB 1 39 LYS H 2.000 . 5.000 4.755 4.513 5.006 0.006 10 0 "[ . 1 . 2 .]" 1
502 1 37 ILE HB 1 48 ALA HA 2.000 . 6.000 5.292 5.013 5.686 . 0 0 "[ . 1 . 2 .]" 1
503 1 37 ILE HB 1 51 ILE MG 2.000 . 6.500 3.587 3.321 3.836 . 0 0 "[ . 1 . 2 .]" 1
504 1 37 ILE MD 1 38 SER H 2.000 . 6.500 4.226 3.793 4.645 . 0 0 "[ . 1 . 2 .]" 1
505 1 37 ILE MD 1 41 TYR QE 2.000 . 8.500 4.752 4.417 5.152 . 0 0 "[ . 1 . 2 .]" 1
506 1 37 ILE MD 1 48 ALA HA 2.000 . 7.500 5.538 5.120 5.949 . 0 0 "[ . 1 . 2 .]" 1
507 1 37 ILE MD 1 51 ILE MG 2.000 . 7.000 2.936 2.478 3.348 . 0 0 "[ . 1 . 2 .]" 1
508 1 37 ILE HG12 1 38 SER H 2.000 . 5.000 4.989 4.899 5.029 0.029 9 0 "[ . 1 . 2 .]" 1
509 1 37 ILE HG13 1 38 SER H 2.000 . 5.000 4.224 4.150 4.283 . 0 0 "[ . 1 . 2 .]" 1
510 1 37 ILE MG 1 38 SER H 2.000 . 5.500 3.369 3.119 3.658 . 0 0 "[ . 1 . 2 .]" 1
511 1 37 ILE MG 1 38 SER QB 2.000 . 8.000 4.138 3.945 4.571 . 0 0 "[ . 1 . 2 .]" 1
512 1 37 ILE MG 1 41 TYR H 2.000 . 6.500 3.777 3.461 4.026 . 0 0 "[ . 1 . 2 .]" 1
513 1 37 ILE MG 1 41 TYR HA 2.000 . 6.500 4.979 4.740 5.272 . 0 0 "[ . 1 . 2 .]" 1
514 1 37 ILE MG 1 41 TYR QD 2.000 . 7.500 2.614 2.078 2.953 . 0 0 "[ . 1 . 2 .]" 1
515 1 37 ILE MG 1 41 TYR QE 2.000 . 7.500 3.184 2.659 3.621 . 0 0 "[ . 1 . 2 .]" 1
516 1 37 ILE MG 1 43 PHE QD 2.000 . 7.500 3.255 2.346 3.933 . 0 0 "[ . 1 . 2 .]" 1
517 1 37 ILE MG 1 43 PHE QE 2.000 . 6.500 2.151 1.802 2.663 . 0 0 "[ . 1 . 2 .]" 1
518 1 37 ILE MG 1 43 PHE HZ 2.000 . 5.500 3.552 2.610 4.085 . 0 0 "[ . 1 . 2 .]" 1
519 1 37 ILE MG 1 51 ILE MD 2.000 . 6.500 2.718 2.075 3.151 . 0 0 "[ . 1 . 2 .]" 1
520 1 38 SER H 1 38 SER HA 2.000 . 3.000 2.882 2.840 2.941 . 0 0 "[ . 1 . 2 .]" 1
521 1 38 SER H 1 38 SER HB2 2.000 . 4.000 2.701 1.946 3.562 . 0 0 "[ . 1 . 2 .]" 1
522 1 38 SER H 1 38 SER HB3 2.000 . 4.000 2.542 2.079 3.518 . 0 0 "[ . 1 . 2 .]" 1
523 1 38 SER H 1 39 LYS H 2.000 . 3.000 2.592 2.378 2.743 . 0 0 "[ . 1 . 2 .]" 1
524 1 38 SER H 1 40 ASN H 2.000 . 5.000 3.975 3.801 4.182 . 0 0 "[ . 1 . 2 .]" 1
525 1 38 SER H 1 48 ALA MB 2.000 . 6.500 4.399 3.932 4.926 . 0 0 "[ . 1 . 2 .]" 1
526 1 38 SER H 1 51 ILE MD 2.000 . 5.500 3.361 3.075 3.647 . 0 0 "[ . 1 . 2 .]" 1
527 1 38 SER H 1 51 ILE MG 2.000 . 6.500 4.917 4.596 5.241 . 0 0 "[ . 1 . 2 .]" 1
528 1 38 SER HA 1 39 LYS H 2.000 . 5.000 3.513 3.468 3.562 . 0 0 "[ . 1 . 2 .]" 1
529 1 38 SER HA 1 43 PHE H 2.000 . 5.000 4.241 3.735 4.984 . 0 0 "[ . 1 . 2 .]" 1
530 1 38 SER HA 1 51 ILE MD 2.000 . 4.500 3.055 2.572 3.421 . 0 0 "[ . 1 . 2 .]" 1
531 1 38 SER QB 1 43 PHE QD 2.000 . 8.000 4.010 3.602 4.411 . 0 0 "[ . 1 . 2 .]" 1
532 1 38 SER QB 1 43 PHE QE 2.000 . 8.000 4.958 4.525 5.705 . 0 0 "[ . 1 . 2 .]" 1
533 1 38 SER QB 1 48 ALA H 2.000 . 6.000 4.349 3.808 5.112 . 0 0 "[ . 1 . 2 .]" 1
534 1 38 SER QB 1 48 ALA MB 2.000 . 6.000 3.457 2.788 4.191 . 0 0 "[ . 1 . 2 .]" 1
535 1 38 SER QB 1 51 ILE MD 2.000 . 5.500 2.353 1.874 3.055 . 0 0 "[ . 1 . 2 .]" 1
536 1 38 SER QB 1 51 ILE MG 2.000 . 7.500 4.638 4.244 5.369 . 0 0 "[ . 1 . 2 .]" 1
537 1 38 SER HB2 1 51 ILE MD 2.000 . 5.500 2.662 1.885 3.780 . 0 0 "[ . 1 . 2 .]" 1
538 1 38 SER HB3 1 51 ILE MD 2.000 . 5.500 3.288 2.056 4.223 . 0 0 "[ . 1 . 2 .]" 1
539 1 39 LYS H 1 39 LYS HA 2.000 . 3.000 2.957 2.953 2.960 . 0 0 "[ . 1 . 2 .]" 1
540 1 39 LYS H 1 40 ASN H 2.000 . 3.000 2.359 2.294 2.478 . 0 0 "[ . 1 . 2 .]" 1
541 1 39 LYS H 1 40 ASN HB2 2.000 . 5.000 4.388 4.128 4.688 . 0 0 "[ . 1 . 2 .]" 1
542 1 39 LYS H 1 40 ASN HB3 2.000 . 5.000 4.683 4.411 5.012 0.012 3 0 "[ . 1 . 2 .]" 1
543 1 39 LYS H 1 51 ILE MD 2.000 . 6.500 5.175 4.805 5.464 . 0 0 "[ . 1 . 2 .]" 1
544 1 39 LYS HA 1 40 ASN H 2.000 . 4.000 3.450 3.359 3.524 . 0 0 "[ . 1 . 2 .]" 1
545 1 39 LYS HB2 1 40 ASN H 2.000 . 5.000 3.689 2.968 4.242 . 0 0 "[ . 1 . 2 .]" 1
546 1 39 LYS HB3 1 40 ASN H 2.000 . 5.000 3.592 2.791 4.253 . 0 0 "[ . 1 . 2 .]" 1
547 1 39 LYS QD 1 40 ASN H 2.000 . 6.500 4.843 3.713 5.586 . 0 0 "[ . 1 . 2 .]" 1
548 1 39 LYS QG 1 40 ASN H 2.000 . 6.000 4.080 2.496 4.508 . 0 0 "[ . 1 . 2 .]" 1
549 1 40 ASN H 1 40 ASN HA 2.000 . 3.000 2.989 2.971 3.000 . 0 0 "[ . 1 . 2 .]" 1
550 1 40 ASN H 1 40 ASN HB2 2.000 . 4.000 2.621 2.323 2.898 . 0 0 "[ . 1 . 2 .]" 1
551 1 40 ASN H 1 40 ASN HB3 2.000 . 3.000 2.603 2.396 2.911 . 0 0 "[ . 1 . 2 .]" 1
552 1 40 ASN H 1 40 ASN QD 2.000 . 6.000 4.554 4.270 4.834 . 0 0 "[ . 1 . 2 .]" 1
553 1 40 ASN H 1 41 TYR H 2.000 . 3.000 2.146 2.028 2.253 . 0 0 "[ . 1 . 2 .]" 1
554 1 40 ASN H 1 41 TYR HA 2.000 . 5.000 4.914 4.806 5.006 0.006 6 0 "[ . 1 . 2 .]" 1
555 1 40 ASN HA 1 41 TYR H 2.000 . 4.000 3.532 3.420 3.577 . 0 0 "[ . 1 . 2 .]" 1
556 1 40 ASN HB2 1 41 TYR H 2.000 . 4.000 3.826 3.507 4.015 0.015 15 0 "[ . 1 . 2 .]" 1
557 1 40 ASN HB2 1 41 TYR QD 2.000 . 7.000 3.739 3.417 4.124 . 0 0 "[ . 1 . 2 .]" 1
558 1 40 ASN HB2 1 41 TYR QE 2.000 . 7.000 4.362 3.870 4.794 . 0 0 "[ . 1 . 2 .]" 1
559 1 40 ASN HB3 1 41 TYR QE 2.000 . 7.000 2.970 2.448 3.332 . 0 0 "[ . 1 . 2 .]" 1
560 1 41 TYR H 1 41 TYR HA 2.000 . 3.000 2.963 2.925 2.999 . 0 0 "[ . 1 . 2 .]" 1
561 1 41 TYR H 1 41 TYR HB2 2.000 . 4.000 2.242 2.158 2.340 . 0 0 "[ . 1 . 2 .]" 1
562 1 41 TYR H 1 41 TYR HB3 2.000 . 4.000 3.546 3.491 3.617 . 0 0 "[ . 1 . 2 .]" 1
563 1 41 TYR H 1 41 TYR QD 2.000 . 6.000 2.127 1.946 2.419 . 0 0 "[ . 1 . 2 .]" 1
564 1 41 TYR H 1 43 PHE HB2 2.000 . 5.500 4.546 4.265 4.830 . 0 0 "[ . 1 . 2 .]" 1
565 1 41 TYR HA 1 42 PRO HG2 2.000 . 5.000 4.653 4.590 4.695 . 0 0 "[ . 1 . 2 .]" 1
566 1 41 TYR HA 1 42 PRO HG3 2.000 . 5.000 4.526 4.455 4.559 . 0 0 "[ . 1 . 2 .]" 1
567 1 41 TYR HA 1 43 PHE QD 2.000 . 7.000 4.534 3.909 4.960 . 0 0 "[ . 1 . 2 .]" 1
568 1 41 TYR HA 1 43 PHE QE 2.000 . 7.000 5.171 4.482 5.809 . 0 0 "[ . 1 . 2 .]" 1
569 1 41 TYR QB 1 42 PRO HB2 2.000 . 6.000 5.158 5.118 5.241 . 0 0 "[ . 1 . 2 .]" 1
570 1 41 TYR QB 1 42 PRO HB3 2.000 . 6.000 5.206 5.167 5.268 . 0 0 "[ . 1 . 2 .]" 1
571 1 41 TYR HB2 1 42 PRO QD 2.000 . 6.000 3.497 3.442 3.579 . 0 0 "[ . 1 . 2 .]" 1
572 1 41 TYR HB2 1 42 PRO QG 2.000 . 6.000 5.107 5.017 5.212 . 0 0 "[ . 1 . 2 .]" 1
573 1 41 TYR HB2 1 43 PHE H 2.000 . 5.000 4.044 3.888 4.198 . 0 0 "[ . 1 . 2 .]" 1
574 1 41 TYR HB2 1 43 PHE QD 2.000 . 7.000 1.986 1.893 2.173 . 0 0 "[ . 1 . 2 .]" 1
575 1 41 TYR HB2 1 43 PHE QE 2.000 . 7.000 2.531 1.994 3.271 . 0 0 "[ . 1 . 2 .]" 1
576 1 41 TYR HB3 1 42 PRO QG 2.000 . 6.000 3.692 3.618 3.822 . 0 0 "[ . 1 . 2 .]" 1
577 1 41 TYR HB3 1 43 PHE QD 2.000 . 7.000 2.942 2.278 3.332 . 0 0 "[ . 1 . 2 .]" 1
578 1 41 TYR HB3 1 43 PHE QE 2.000 . 6.000 2.966 2.071 3.553 . 0 0 "[ . 1 . 2 .]" 1
579 1 41 TYR QD 1 42 PRO QG 2.000 . 7.000 4.217 4.073 4.432 . 0 0 "[ . 1 . 2 .]" 1
580 1 41 TYR QD 1 43 PHE QD 2.000 . 9.000 3.988 3.797 4.130 . 0 0 "[ . 1 . 2 .]" 1
581 1 41 TYR QD 1 43 PHE QE 2.000 . 8.000 3.615 3.032 4.139 . 0 0 "[ . 1 . 2 .]" 1
582 1 42 PRO HB2 1 43 PHE H 2.000 . 5.000 4.354 4.335 4.367 . 0 0 "[ . 1 . 2 .]" 1
583 1 42 PRO HB3 1 43 PHE H 2.000 . 5.000 4.674 4.649 4.692 . 0 0 "[ . 1 . 2 .]" 1
584 1 42 PRO QG 1 43 PHE H 2.000 . 6.000 4.544 4.499 4.606 . 0 0 "[ . 1 . 2 .]" 1
585 1 42 PRO QG 1 43 PHE HA 2.000 . 6.000 4.728 4.686 4.786 . 0 0 "[ . 1 . 2 .]" 1
586 1 43 PHE H 1 43 PHE HB2 2.000 . 4.000 2.127 2.065 2.197 . 0 0 "[ . 1 . 2 .]" 1
587 1 43 PHE H 1 43 PHE HB3 2.000 . 4.000 3.450 3.407 3.493 . 0 0 "[ . 1 . 2 .]" 1
588 1 43 PHE H 1 44 VAL H 2.000 . 5.000 4.526 4.127 4.642 . 0 0 "[ . 1 . 2 .]" 1
589 1 43 PHE H 1 51 ILE MD 2.000 . 7.500 5.858 5.314 6.187 . 0 0 "[ . 1 . 2 .]" 1
590 1 43 PHE HA 1 43 PHE QD 2.000 . 7.000 2.418 2.012 3.007 . 0 0 "[ . 1 . 2 .]" 1
591 1 43 PHE HA 1 44 VAL H 2.000 . 4.000 2.354 2.194 2.566 . 0 0 "[ . 1 . 2 .]" 1
592 1 43 PHE HA 1 46 ARG H 2.000 . 5.000 4.968 4.636 5.064 0.064 14 0 "[ . 1 . 2 .]" 1
593 1 43 PHE HB2 1 44 VAL H 2.000 . 5.000 4.208 3.798 4.632 . 0 0 "[ . 1 . 2 .]" 1
594 1 43 PHE HB2 1 46 ARG HB2 2.000 . 6.000 4.281 3.599 4.997 . 0 0 "[ . 1 . 2 .]" 1
595 1 43 PHE HB2 1 46 ARG HB3 2.000 . 6.000 5.511 4.322 6.003 0.003 1 0 "[ . 1 . 2 .]" 1
596 1 43 PHE HB3 1 44 VAL H 2.000 . 5.000 3.091 2.410 4.052 . 0 0 "[ . 1 . 2 .]" 1
597 1 43 PHE HB3 1 46 ARG H 2.000 . 5.000 3.307 2.749 4.110 . 0 0 "[ . 1 . 2 .]" 1
598 1 43 PHE HB3 1 46 ARG HB2 2.000 . 5.000 2.667 1.998 3.311 . 0 0 "[ . 1 . 2 .]" 1
599 1 43 PHE HB3 1 46 ARG HB3 2.000 . 5.000 4.030 2.673 4.788 . 0 0 "[ . 1 . 2 .]" 1
600 1 43 PHE QD 1 46 ARG HB2 2.000 . 6.000 2.640 1.935 3.457 . 0 0 "[ . 1 . 2 .]" 1
601 1 43 PHE QD 1 46 ARG HB3 2.000 . 6.000 3.405 2.279 4.323 . 0 0 "[ . 1 . 2 .]" 1
602 1 43 PHE QD 1 51 ILE MD 2.000 . 7.500 3.234 2.542 3.646 . 0 0 "[ . 1 . 2 .]" 1
603 1 43 PHE QD 1 51 ILE MG 2.000 . 8.500 5.087 4.381 5.677 . 0 0 "[ . 1 . 2 .]" 1
604 1 43 PHE QE 1 51 ILE MD 2.000 . 7.500 3.076 2.466 3.707 . 0 0 "[ . 1 . 2 .]" 1
605 1 43 PHE QE 1 51 ILE MG 2.000 . 8.500 3.916 3.262 4.312 . 0 0 "[ . 1 . 2 .]" 1
606 1 43 PHE HZ 1 51 ILE MD 2.000 . 6.500 3.568 2.730 4.447 . 0 0 "[ . 1 . 2 .]" 1
607 1 43 PHE HZ 1 51 ILE MG 2.000 . 6.500 3.847 3.304 4.308 . 0 0 "[ . 1 . 2 .]" 1
608 1 44 VAL H 1 44 VAL MG1 2.000 . 5.500 2.296 1.889 2.925 . 0 0 "[ . 1 . 2 .]" 1
609 1 44 VAL H 1 44 VAL MG2 2.000 . 5.500 2.638 1.871 3.990 . 0 0 "[ . 1 . 2 .]" 1
610 1 44 VAL H 1 45 ASN H 2.000 . 5.000 3.405 1.917 4.581 . 0 0 "[ . 1 . 2 .]" 1
611 1 44 VAL H 1 46 ARG H 2.000 . 5.000 3.601 2.810 4.319 . 0 0 "[ . 1 . 2 .]" 1
612 1 44 VAL H 1 46 ARG HB2 2.000 . 5.000 3.730 2.635 4.249 . 0 0 "[ . 1 . 2 .]" 1
613 1 44 VAL H 1 46 ARG QG 2.000 . 6.000 3.338 2.194 5.108 . 0 0 "[ . 1 . 2 .]" 1
614 1 44 VAL HA 1 44 VAL MG1 2.000 . 5.500 2.645 2.237 3.205 . 0 0 "[ . 1 . 2 .]" 1
615 1 44 VAL HA 1 45 ASN H 2.000 . 5.000 2.932 2.198 3.573 . 0 0 "[ . 1 . 2 .]" 1
616 1 44 VAL HA 1 46 ARG H 2.000 . 5.000 4.333 3.373 5.016 0.016 6 0 "[ . 1 . 2 .]" 1
617 1 44 VAL HB 1 45 ASN H 2.000 . 4.000 3.386 1.900 4.065 0.065 21 0 "[ . 1 . 2 .]" 1
618 1 44 VAL MG1 1 45 ASN H 2.000 . 6.500 3.295 1.864 4.266 . 0 0 "[ . 1 . 2 .]" 1
619 1 44 VAL MG2 1 45 ASN H 2.000 . 5.500 3.286 1.888 4.144 . 0 0 "[ . 1 . 2 .]" 1
620 1 44 VAL MG2 1 45 ASN HB2 2.000 . 5.500 3.435 2.129 4.202 . 0 0 "[ . 1 . 2 .]" 1
621 1 44 VAL MG2 1 45 ASN HB3 2.000 . 6.500 4.147 2.913 5.243 . 0 0 "[ . 1 . 2 .]" 1
622 1 44 VAL MG2 1 46 ARG H 2.000 . 6.500 4.130 2.604 5.342 . 0 0 "[ . 1 . 2 .]" 1
623 1 45 ASN H 1 46 ARG H 2.000 . 4.000 2.821 1.946 3.629 . 0 0 "[ . 1 . 2 .]" 1
624 1 45 ASN H 1 47 THR H 2.000 . 6.000 4.597 4.112 5.529 . 0 0 "[ . 1 . 2 .]" 1
625 1 45 ASN HA 1 46 ARG H 2.000 . 4.000 2.931 2.693 3.132 . 0 0 "[ . 1 . 2 .]" 1
626 1 45 ASN HB2 1 46 ARG H 2.000 . 5.000 4.395 3.935 4.651 . 0 0 "[ . 1 . 2 .]" 1
627 1 45 ASN HB3 1 46 ARG H 2.000 . 5.000 4.190 3.872 4.488 . 0 0 "[ . 1 . 2 .]" 1
628 1 45 ASN HB3 1 46 ARG HA 2.000 . 5.000 4.543 4.343 4.997 . 0 0 "[ . 1 . 2 .]" 1
629 1 45 ASN HB3 1 47 THR H 2.000 . 6.000 5.531 5.038 5.982 . 0 0 "[ . 1 . 2 .]" 1
630 1 46 ARG H 1 46 ARG HB2 2.000 . 4.000 2.247 2.041 2.423 . 0 0 "[ . 1 . 2 .]" 1
631 1 46 ARG H 1 46 ARG HB3 2.000 . 4.000 3.473 2.789 3.668 . 0 0 "[ . 1 . 2 .]" 1
632 1 46 ARG H 1 47 THR H 2.000 . 5.000 2.206 1.916 2.448 . 0 0 "[ . 1 . 2 .]" 1
633 1 46 ARG H 1 47 THR HA 2.000 . 5.000 4.548 4.253 4.785 . 0 0 "[ . 1 . 2 .]" 1
634 1 46 ARG H 1 51 ILE MD 2.000 . 6.500 4.932 4.543 5.244 . 0 0 "[ . 1 . 2 .]" 1
635 1 46 ARG HA 1 46 ARG HD2 2.000 . 4.000 3.388 2.084 3.994 . 0 0 "[ . 1 . 2 .]" 1
636 1 46 ARG HA 1 46 ARG HD3 2.000 . 4.000 2.315 1.941 3.696 . 0 0 "[ . 1 . 2 .]" 1
637 1 46 ARG HA 1 47 THR H 2.000 . 4.000 3.493 3.440 3.546 . 0 0 "[ . 1 . 2 .]" 1
638 1 46 ARG HA 1 50 MET H 2.000 . 5.000 4.803 4.466 5.026 0.026 2 0 "[ . 1 . 2 .]" 1
639 1 46 ARG HA 1 50 MET ME 2.000 . 6.500 4.629 2.641 5.396 . 0 0 "[ . 1 . 2 .]" 1
640 1 46 ARG QB 1 50 MET ME 2.000 . 8.500 5.689 4.208 6.314 . 0 0 "[ . 1 . 2 .]" 1
641 1 46 ARG HB2 1 46 ARG HD2 2.000 . 4.000 3.597 2.704 3.979 . 0 0 "[ . 1 . 2 .]" 1
642 1 46 ARG HB2 1 46 ARG HD3 2.000 . 4.000 3.562 2.343 3.957 . 0 0 "[ . 1 . 2 .]" 1
643 1 46 ARG HB2 1 47 THR H 2.000 . 4.000 3.074 2.686 3.653 . 0 0 "[ . 1 . 2 .]" 1
644 1 46 ARG HB3 1 46 ARG HD2 2.000 . 5.000 2.685 2.115 4.222 . 0 0 "[ . 1 . 2 .]" 1
645 1 46 ARG HB3 1 46 ARG HD3 2.000 . 5.000 2.797 2.263 3.616 . 0 0 "[ . 1 . 2 .]" 1
646 1 46 ARG HB3 1 47 THR H 2.000 . 5.000 3.701 2.804 3.995 . 0 0 "[ . 1 . 2 .]" 1
647 1 46 ARG HD2 1 46 ARG QG 2.000 . 6.000 2.328 2.183 2.479 . 0 0 "[ . 1 . 2 .]" 1
648 1 46 ARG HD3 1 46 ARG QG 2.000 . 6.000 2.416 2.267 2.538 . 0 0 "[ . 1 . 2 .]" 1
649 1 47 THR H 1 50 MET QG 2.000 . 6.000 4.779 4.520 5.055 . 0 0 "[ . 1 . 2 .]" 1
650 1 47 THR H 1 51 ILE MD 2.000 . 6.500 4.262 3.674 4.669 . 0 0 "[ . 1 . 2 .]" 1
651 1 47 THR HA 1 48 ALA H 2.000 . 4.000 2.878 2.566 3.034 . 0 0 "[ . 1 . 2 .]" 1
652 1 47 THR HA 1 49 VAL H 2.000 . 5.000 4.591 4.171 4.848 . 0 0 "[ . 1 . 2 .]" 1
653 1 47 THR HB 1 49 VAL H 2.000 . 5.000 2.495 2.172 2.748 . 0 0 "[ . 1 . 2 .]" 1
654 1 47 THR HB 1 50 MET H 2.000 . 6.000 3.119 3.012 3.260 . 0 0 "[ . 1 . 2 .]" 1
655 1 47 THR HB 1 51 ILE H 2.000 . 5.000 4.883 4.703 5.016 0.016 21 0 "[ . 1 . 2 .]" 1
656 1 47 THR MG 1 49 VAL H 2.000 . 6.500 2.953 2.474 3.264 . 0 0 "[ . 1 . 2 .]" 1
657 1 48 ALA H 1 48 ALA MB 2.000 . 5.500 2.131 1.983 2.251 . 0 0 "[ . 1 . 2 .]" 1
658 1 48 ALA H 1 49 VAL H 2.000 . 5.000 2.111 1.953 2.486 . 0 0 "[ . 1 . 2 .]" 1
659 1 48 ALA HA 1 49 VAL H 2.000 . 4.000 3.473 3.346 3.526 . 0 0 "[ . 1 . 2 .]" 1
660 1 48 ALA HA 1 50 MET H 2.000 . 5.000 4.306 3.962 4.693 . 0 0 "[ . 1 . 2 .]" 1
661 1 48 ALA MB 1 49 VAL H 2.000 . 4.500 2.951 2.800 3.259 . 0 0 "[ . 1 . 2 .]" 1
662 1 48 ALA MB 1 50 MET H 2.000 . 6.500 4.726 4.480 4.981 . 0 0 "[ . 1 . 2 .]" 1
663 1 49 VAL H 1 49 VAL HA 2.000 . 3.000 2.890 2.853 2.947 . 0 0 "[ . 1 . 2 .]" 1
664 1 49 VAL H 1 49 VAL HB 2.000 . 4.000 2.573 2.312 3.544 . 0 0 "[ . 1 . 2 .]" 1
665 1 49 VAL H 1 49 VAL MG1 2.000 . 5.500 3.445 1.985 3.728 . 0 0 "[ . 1 . 2 .]" 1
666 1 49 VAL H 1 49 VAL MG2 2.000 . 4.500 2.087 1.886 2.268 . 0 0 "[ . 1 . 2 .]" 1
667 1 49 VAL H 1 50 MET H 2.000 . 3.000 2.619 2.365 2.766 . 0 0 "[ . 1 . 2 .]" 1
668 1 49 VAL H 1 50 MET HA 2.000 . 5.500 5.294 5.091 5.404 . 0 0 "[ . 1 . 2 .]" 1
669 1 49 VAL H 1 50 MET QG 2.000 . 6.000 4.023 3.630 4.325 . 0 0 "[ . 1 . 2 .]" 1
670 1 49 VAL H 1 52 LYS HB3 2.000 . 6.000 5.292 4.917 5.760 . 0 0 "[ . 1 . 2 .]" 1
671 1 49 VAL HA 1 50 MET H 2.000 . 5.000 3.561 3.504 3.592 . 0 0 "[ . 1 . 2 .]" 1
672 1 49 VAL HA 1 52 LYS H 2.000 . 4.000 3.573 3.450 3.627 . 0 0 "[ . 1 . 2 .]" 1
673 1 49 VAL HA 1 52 LYS HB3 2.000 . 5.000 2.830 2.608 3.237 . 0 0 "[ . 1 . 2 .]" 1
674 1 49 VAL HA 1 53 ASP H 2.000 . 5.000 4.214 4.012 4.378 . 0 0 "[ . 1 . 2 .]" 1
675 1 49 VAL HB 1 50 MET H 2.000 . 5.000 2.750 2.274 3.922 . 0 0 "[ . 1 . 2 .]" 1
676 1 49 VAL HB 1 50 MET ME 2.000 . 5.500 3.705 2.167 4.336 . 0 0 "[ . 1 . 2 .]" 1
677 1 49 VAL MG1 1 50 MET H 2.000 . 5.500 3.525 3.161 3.931 . 0 0 "[ . 1 . 2 .]" 1
678 1 49 VAL MG1 1 50 MET HA 2.000 . 6.500 3.908 3.351 5.486 . 0 0 "[ . 1 . 2 .]" 1
679 1 49 VAL MG2 1 50 MET H 2.000 . 6.500 3.500 1.888 3.906 . 0 0 "[ . 1 . 2 .]" 1
680 1 50 MET H 1 50 MET HA 2.000 . 3.000 2.887 2.836 2.929 . 0 0 "[ . 1 . 2 .]" 1
681 1 50 MET H 1 50 MET QB 2.000 . 6.000 2.360 2.222 2.466 . 0 0 "[ . 1 . 2 .]" 1
682 1 50 MET H 1 50 MET QG 2.000 . 6.000 2.110 1.927 2.461 . 0 0 "[ . 1 . 2 .]" 1
683 1 50 MET H 1 51 ILE H 2.000 . 3.000 2.633 2.460 2.788 . 0 0 "[ . 1 . 2 .]" 1
684 1 50 MET HA 1 50 MET HB2 2.000 . 3.000 3.032 3.027 3.034 0.034 23 0 "[ . 1 . 2 .]" 1
685 1 50 MET HA 1 50 MET HB3 2.000 . 3.000 2.483 2.449 2.547 . 0 0 "[ . 1 . 2 .]" 1
686 1 50 MET HA 1 51 ILE H 2.000 . 5.000 3.565 3.532 3.589 . 0 0 "[ . 1 . 2 .]" 1
687 1 50 MET HA 1 52 LYS H 2.000 . 5.000 4.297 4.013 4.687 . 0 0 "[ . 1 . 2 .]" 1
688 1 50 MET HA 1 53 ASP H 2.000 . 4.000 3.548 3.362 3.616 . 0 0 "[ . 1 . 2 .]" 1
689 1 50 MET HA 1 54 ARG H 2.000 . 5.000 4.170 3.975 4.353 . 0 0 "[ . 1 . 2 .]" 1
690 1 50 MET QB 1 51 ILE H 2.000 . 4.000 2.466 2.250 2.666 . 0 0 "[ . 1 . 2 .]" 1
691 1 50 MET QG 1 51 ILE H 2.000 . 6.000 3.921 3.828 4.073 . 0 0 "[ . 1 . 2 .]" 1
692 1 51 ILE H 1 51 ILE HB 2.000 . 3.000 2.342 2.285 2.425 . 0 0 "[ . 1 . 2 .]" 1
693 1 51 ILE H 1 51 ILE MD 2.000 . 6.500 3.217 2.900 3.449 . 0 0 "[ . 1 . 2 .]" 1
694 1 51 ILE H 1 51 ILE HG12 2.000 . 4.000 3.530 3.338 3.806 . 0 0 "[ . 1 . 2 .]" 1
695 1 51 ILE H 1 51 ILE HG13 2.000 . 5.000 2.118 1.943 2.401 . 0 0 "[ . 1 . 2 .]" 1
696 1 51 ILE H 1 51 ILE MG 2.000 . 5.500 3.698 3.689 3.709 . 0 0 "[ . 1 . 2 .]" 1
697 1 51 ILE H 1 52 LYS H 2.000 . 3.000 2.600 2.468 2.729 . 0 0 "[ . 1 . 2 .]" 1
698 1 51 ILE H 1 52 LYS HB2 2.000 . 6.000 4.806 4.419 5.060 . 0 0 "[ . 1 . 2 .]" 1
699 1 51 ILE H 1 52 LYS HB3 2.000 . 5.000 4.811 4.541 5.009 0.009 4 0 "[ . 1 . 2 .]" 1
700 1 51 ILE HA 1 52 LYS H 2.000 . 5.000 3.534 3.482 3.581 . 0 0 "[ . 1 . 2 .]" 1
701 1 51 ILE HA 1 54 ARG H 2.000 . 4.000 3.555 3.359 3.618 . 0 0 "[ . 1 . 2 .]" 1
702 1 51 ILE HA 1 54 ARG HB2 2.000 . 4.000 3.334 2.736 3.664 . 0 0 "[ . 1 . 2 .]" 1
703 1 51 ILE HA 1 54 ARG HB3 2.000 . 4.000 3.076 2.284 3.497 . 0 0 "[ . 1 . 2 .]" 1
704 1 51 ILE HA 1 55 TRP H 2.000 . 4.000 4.006 3.978 4.031 0.031 3 0 "[ . 1 . 2 .]" 1
705 1 51 ILE HB 1 52 LYS H 2.000 . 4.000 2.738 2.404 3.004 . 0 0 "[ . 1 . 2 .]" 1
706 1 51 ILE MD 1 52 LYS H 2.000 . 6.500 4.448 4.166 4.715 . 0 0 "[ . 1 . 2 .]" 1
707 1 51 ILE HG12 1 52 LYS H 2.000 . 6.000 5.103 4.941 5.225 . 0 0 "[ . 1 . 2 .]" 1
708 1 51 ILE MG 1 52 LYS H 2.000 . 5.000 3.537 3.300 3.747 . 0 0 "[ . 1 . 2 .]" 1
709 1 51 ILE MG 1 54 ARG HB2 2.000 . 7.500 4.913 4.362 5.236 . 0 0 "[ . 1 . 2 .]" 1
710 1 51 ILE MG 1 54 ARG HB3 2.000 . 7.500 4.061 3.745 4.316 . 0 0 "[ . 1 . 2 .]" 1
711 1 51 ILE MG 1 55 TRP H 2.000 . 6.500 4.053 3.792 4.261 . 0 0 "[ . 1 . 2 .]" 1
712 1 52 LYS H 1 52 LYS HA 2.000 . 3.000 2.901 2.845 2.941 . 0 0 "[ . 1 . 2 .]" 1
713 1 52 LYS H 1 52 LYS HB2 2.000 . 3.000 2.442 2.179 2.664 . 0 0 "[ . 1 . 2 .]" 1
714 1 52 LYS H 1 52 LYS HB3 2.000 . 3.000 2.469 2.289 2.743 . 0 0 "[ . 1 . 2 .]" 1
715 1 52 LYS H 1 52 LYS QG 2.000 . 5.000 3.931 3.823 4.007 . 0 0 "[ . 1 . 2 .]" 1
716 1 52 LYS H 1 53 ASP H 2.000 . 3.000 2.564 2.394 2.768 . 0 0 "[ . 1 . 2 .]" 1
717 1 52 LYS H 1 53 ASP HB2 2.000 . 5.000 4.584 4.219 4.939 . 0 0 "[ . 1 . 2 .]" 1
718 1 52 LYS H 1 55 TRP QB 2.000 . 6.000 4.782 4.580 4.990 . 0 0 "[ . 1 . 2 .]" 1
719 1 52 LYS HA 1 53 ASP H 2.000 . 4.000 3.553 3.501 3.596 . 0 0 "[ . 1 . 2 .]" 1
720 1 52 LYS HA 1 55 TRP H 2.000 . 5.000 3.591 3.424 3.624 . 0 0 "[ . 1 . 2 .]" 1
721 1 52 LYS HA 1 56 ARG H 2.000 . 5.000 4.170 3.995 4.423 . 0 0 "[ . 1 . 2 .]" 1
722 1 52 LYS HB2 1 53 ASP H 2.000 . 4.000 3.824 3.629 4.007 0.007 21 0 "[ . 1 . 2 .]" 1
723 1 52 LYS HB3 1 53 ASP H 2.000 . 3.000 2.590 2.189 2.923 . 0 0 "[ . 1 . 2 .]" 1
724 1 52 LYS QD 1 53 ASP H 2.000 . 6.000 3.795 2.736 5.318 . 0 0 "[ . 1 . 2 .]" 1
725 1 52 LYS QG 1 53 ASP H 2.000 . 5.000 3.937 3.332 4.463 . 0 0 "[ . 1 . 2 .]" 1
726 1 53 ASP H 1 53 ASP HA 2.000 . 3.000 2.895 2.861 2.927 . 0 0 "[ . 1 . 2 .]" 1
727 1 53 ASP H 1 53 ASP HB2 2.000 . 3.000 2.241 1.987 2.614 . 0 0 "[ . 1 . 2 .]" 1
728 1 53 ASP H 1 53 ASP HB3 2.000 . 3.000 2.696 2.322 3.012 0.012 8 0 "[ . 1 . 2 .]" 1
729 1 53 ASP H 1 54 ARG H 2.000 . 3.000 2.578 2.461 2.708 . 0 0 "[ . 1 . 2 .]" 1
730 1 53 ASP H 1 56 ARG QB 2.000 . 6.000 4.789 4.588 5.024 . 0 0 "[ . 1 . 2 .]" 1
731 1 53 ASP HA 1 54 ARG H 2.000 . 4.000 3.554 3.497 3.587 . 0 0 "[ . 1 . 2 .]" 1
732 1 53 ASP HA 1 57 THR H 2.000 . 5.000 4.309 4.080 4.434 . 0 0 "[ . 1 . 2 .]" 1
733 1 53 ASP HB2 1 54 ARG H 2.000 . 4.000 3.627 3.267 3.967 . 0 0 "[ . 1 . 2 .]" 1
734 1 53 ASP HB3 1 54 ARG H 2.000 . 3.000 2.641 2.318 3.010 0.010 17 0 "[ . 1 . 2 .]" 1
735 1 54 ARG H 1 54 ARG HA 2.000 . 3.000 2.893 2.863 2.919 . 0 0 "[ . 1 . 2 .]" 1
736 1 54 ARG H 1 54 ARG HB2 2.000 . 3.000 2.189 2.044 2.598 . 0 0 "[ . 1 . 2 .]" 1
737 1 54 ARG H 1 54 ARG HB3 2.000 . 3.000 2.736 2.297 2.945 . 0 0 "[ . 1 . 2 .]" 1
738 1 54 ARG H 1 54 ARG QD 2.000 . 5.000 4.355 4.201 4.505 . 0 0 "[ . 1 . 2 .]" 1
739 1 54 ARG H 1 54 ARG QG 2.000 . 5.000 3.820 3.678 3.933 . 0 0 "[ . 1 . 2 .]" 1
740 1 54 ARG H 1 55 TRP H 2.000 . 3.000 2.588 2.486 2.714 . 0 0 "[ . 1 . 2 .]" 1
741 1 54 ARG H 1 55 TRP QB 2.000 . 6.000 4.259 4.157 4.351 . 0 0 "[ . 1 . 2 .]" 1
742 1 54 ARG H 1 56 ARG H 2.000 . 5.000 4.028 3.886 4.269 . 0 0 "[ . 1 . 2 .]" 1
743 1 54 ARG HA 1 55 TRP H 2.000 . 4.000 3.558 3.534 3.583 . 0 0 "[ . 1 . 2 .]" 1
744 1 54 ARG HB2 1 55 TRP H 2.000 . 4.000 3.600 3.402 3.941 . 0 0 "[ . 1 . 2 .]" 1
745 1 54 ARG HB3 1 55 TRP H 2.000 . 5.000 2.615 2.315 2.870 . 0 0 "[ . 1 . 2 .]" 1
746 1 54 ARG HB3 1 56 ARG H 2.000 . 6.000 4.932 4.734 5.218 . 0 0 "[ . 1 . 2 .]" 1
747 1 54 ARG QD 1 57 THR H 2.000 . 6.500 4.823 4.323 5.533 . 0 0 "[ . 1 . 2 .]" 1
748 1 54 ARG HE 1 58 MET QG 2.000 . 402.000 5.556 4.324 6.966 . 0 0 "[ . 1 . 2 .]" 1
749 1 54 ARG QG 1 55 TRP H 2.000 . 6.000 4.353 3.468 4.557 . 0 0 "[ . 1 . 2 .]" 1
750 1 55 TRP H 1 55 TRP HB2 2.000 . 3.000 2.324 2.171 2.493 . 0 0 "[ . 1 . 2 .]" 1
751 1 55 TRP H 1 55 TRP HB3 2.000 . 3.000 2.569 2.407 2.726 . 0 0 "[ . 1 . 2 .]" 1
752 1 55 TRP H 1 56 ARG H 2.000 . 4.000 2.587 2.443 2.711 . 0 0 "[ . 1 . 2 .]" 1
753 1 55 TRP HA 1 55 TRP HE3 2.000 . 3.000 2.537 2.203 2.863 . 0 0 "[ . 1 . 2 .]" 1
754 1 55 TRP HA 1 55 TRP HZ3 2.000 . 5.000 4.690 4.394 4.979 . 0 0 "[ . 1 . 2 .]" 1
755 1 55 TRP HA 1 59 LYS H 2.000 . 5.000 4.212 3.992 4.417 . 0 0 "[ . 1 . 2 .]" 1
756 1 55 TRP HB2 1 55 TRP HE3 2.000 . 4.000 2.877 2.736 3.033 . 0 0 "[ . 1 . 2 .]" 1
757 1 55 TRP HB2 1 56 ARG H 2.000 . 5.000 3.792 3.579 3.972 . 0 0 "[ . 1 . 2 .]" 1
758 1 55 TRP HB3 1 56 ARG H 2.000 . 5.000 2.659 2.443 2.862 . 0 0 "[ . 1 . 2 .]" 1
759 1 55 TRP HD1 1 58 MET ME 2.000 . 7.500 5.936 5.378 6.233 . 0 0 "[ . 1 . 2 .]" 1
760 1 55 TRP HE1 1 59 LYS HG2 2.000 . 6.000 5.785 5.089 6.006 0.006 4 0 "[ . 1 . 2 .]" 1
761 1 55 TRP HE1 1 59 LYS HG3 2.000 . 5.000 4.369 3.861 4.989 . 0 0 "[ . 1 . 2 .]" 1
762 1 55 TRP HE3 1 58 MET ME 2.000 . 6.500 2.449 1.886 3.216 . 0 0 "[ . 1 . 2 .]" 1
763 1 55 TRP HZ3 1 58 MET ME 2.000 . 6.500 2.506 1.907 3.154 . 0 0 "[ . 1 . 2 .]" 1
764 1 56 ARG H 1 57 THR HB 2.000 . 5.000 4.811 4.522 5.001 0.001 7 0 "[ . 1 . 2 .]" 1
765 1 56 ARG QB 1 57 THR H 2.000 . 6.000 2.553 2.291 2.888 . 0 0 "[ . 1 . 2 .]" 1
766 1 57 THR H 1 57 THR HA 2.000 . 3.000 2.887 2.853 2.928 . 0 0 "[ . 1 . 2 .]" 1
767 1 57 THR H 1 57 THR HB 2.000 . 4.000 2.485 2.296 2.660 . 0 0 "[ . 1 . 2 .]" 1
768 1 57 THR H 1 60 ARG QB 2.000 . 6.000 4.689 4.387 5.058 . 0 0 "[ . 1 . 2 .]" 1
769 1 57 THR HA 1 60 ARG H 2.000 . 5.000 3.432 3.183 3.594 . 0 0 "[ . 1 . 2 .]" 1
770 1 57 THR HA 1 61 LEU H 2.000 . 5.000 4.001 3.265 4.615 . 0 0 "[ . 1 . 2 .]" 1
771 1 58 MET H 1 59 LYS H 2.000 . 3.000 2.602 2.404 2.746 . 0 0 "[ . 1 . 2 .]" 1
772 1 58 MET HA 1 61 LEU H 2.000 . 5.000 3.956 3.591 4.487 . 0 0 "[ . 1 . 2 .]" 1
773 1 58 MET QG 1 59 LYS H 2.000 . 6.000 3.935 1.998 4.446 . 0 0 "[ . 1 . 2 .]" 1
774 1 59 LYS H 1 59 LYS HA 2.000 . 3.000 2.925 2.870 2.959 . 0 0 "[ . 1 . 2 .]" 1
775 1 59 LYS H 1 59 LYS HB2 2.000 . 3.000 2.203 1.993 2.572 . 0 0 "[ . 1 . 2 .]" 1
776 1 59 LYS H 1 59 LYS HB3 2.000 . 3.000 2.784 2.440 3.045 0.045 20 0 "[ . 1 . 2 .]" 1
777 1 59 LYS H 1 59 LYS QG 2.000 . 5.000 3.807 3.564 4.006 . 0 0 "[ . 1 . 2 .]" 1
778 1 59 LYS H 1 60 ARG H 2.000 . 3.000 2.435 2.299 2.617 . 0 0 "[ . 1 . 2 .]" 1
779 1 59 LYS H 1 60 ARG QB 2.000 . 6.000 4.103 3.945 4.332 . 0 0 "[ . 1 . 2 .]" 1
780 1 59 LYS HA 1 60 ARG H 2.000 . 4.000 3.506 3.428 3.542 . 0 0 "[ . 1 . 2 .]" 1
781 1 59 LYS HA 1 62 GLY H 2.000 . 5.000 3.870 3.255 5.001 0.001 24 0 "[ . 1 . 2 .]" 1
782 1 59 LYS HA 1 63 MET H 2.000 . 5.000 3.885 2.132 4.633 . 0 0 "[ . 1 . 2 .]" 1
783 1 59 LYS HA 1 64 ASN H 2.000 . 5.000 4.656 3.345 5.014 0.014 16 0 "[ . 1 . 2 .]" 1
784 1 59 LYS HB2 1 60 ARG H 2.000 . 4.000 3.697 3.378 3.997 . 0 0 "[ . 1 . 2 .]" 1
785 1 59 LYS HB3 1 60 ARG H 2.000 . 4.000 2.958 2.698 3.274 . 0 0 "[ . 1 . 2 .]" 1
786 1 59 LYS QG 1 60 ARG H 2.000 . 6.000 4.391 3.957 4.578 . 0 0 "[ . 1 . 2 .]" 1
787 1 60 ARG H 1 60 ARG HA 2.000 . 3.000 2.914 2.821 3.000 . 0 0 "[ . 1 . 2 .]" 1
788 1 60 ARG H 1 60 ARG QB 2.000 . 4.000 2.119 1.925 2.382 . 0 0 "[ . 1 . 2 .]" 1
789 1 60 ARG H 1 60 ARG QG 2.000 . 5.000 3.516 2.316 4.089 . 0 0 "[ . 1 . 2 .]" 1
790 1 60 ARG H 1 61 LEU H 2.000 . 3.000 2.638 1.976 2.952 . 0 0 "[ . 1 . 2 .]" 1
791 1 60 ARG HA 1 61 LEU H 2.000 . 4.000 3.556 3.217 3.594 . 0 0 "[ . 1 . 2 .]" 1
792 1 60 ARG QB 1 61 LEU H 2.000 . 5.000 2.432 1.930 3.524 . 0 0 "[ . 1 . 2 .]" 1
793 1 60 ARG QB 1 62 GLY H 2.000 . 6.000 4.368 3.571 5.259 . 0 0 "[ . 1 . 2 .]" 1
794 1 61 LEU H 1 61 LEU HA 2.000 . 3.000 2.989 2.872 3.003 0.003 8 0 "[ . 1 . 2 .]" 1
795 1 61 LEU H 1 61 LEU HB2 2.000 . 3.000 2.607 2.039 2.915 . 0 0 "[ . 1 . 2 .]" 1
796 1 61 LEU H 1 61 LEU HB3 2.000 . 3.000 2.837 2.473 3.042 0.042 10 0 "[ . 1 . 2 .]" 1
797 1 61 LEU H 1 61 LEU HG 2.000 . 5.000 4.487 4.406 4.594 . 0 0 "[ . 1 . 2 .]" 1
798 1 61 LEU HA 1 62 GLY H 2.000 . 4.000 3.186 2.806 3.591 . 0 0 "[ . 1 . 2 .]" 1
799 1 61 LEU QB 1 62 GLY H 2.000 . 5.000 3.411 2.218 3.909 . 0 0 "[ . 1 . 2 .]" 1
800 1 61 LEU HG 1 62 GLY H 2.000 . 5.000 4.661 4.156 4.954 . 0 0 "[ . 1 . 2 .]" 1
801 1 62 GLY H 1 63 MET H 2.000 . 3.000 2.825 2.388 3.005 0.005 4 0 "[ . 1 . 2 .]" 1
802 1 62 GLY QA 1 63 MET H 2.000 . 5.000 2.485 2.333 2.862 . 0 0 "[ . 1 . 2 .]" 1
803 1 62 GLY QA 1 63 MET ME 2.000 . 6.000 3.733 2.764 4.390 . 0 0 "[ . 1 . 2 .]" 1
804 1 62 GLY QA 1 64 ASN H 2.000 . 5.000 4.130 3.730 4.434 . 0 0 "[ . 1 . 2 .]" 1
805 1 63 MET H 1 63 MET QB 2.000 . 5.000 2.507 2.034 3.160 . 0 0 "[ . 1 . 2 .]" 1
806 1 63 MET H 1 63 MET QG 2.000 . 5.500 3.269 2.024 4.149 . 0 0 "[ . 1 . 2 .]" 1
807 1 63 MET QB 1 64 ASN H 2.000 . 5.000 2.985 2.372 4.023 . 0 0 "[ . 1 . 2 .]" 1
808 1 63 MET QG 1 64 ASN H 2.000 . 6.000 3.965 1.837 4.822 . 0 0 "[ . 1 . 2 .]" 1
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