NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
586634 |
2mjy   |
19746 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mjy
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 728
_Distance_constraint_stats_list.Viol_count 830
_Distance_constraint_stats_list.Viol_total 402.539
_Distance_constraint_stats_list.Viol_max 0.159
_Distance_constraint_stats_list.Viol_rms 0.0074
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0242
_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 LYS 0.966 0.068 3 0 "[ . 1 . 2]"
1 3 CYS 0.391 0.042 3 0 "[ . 1 . 2]"
1 4 TYR 3.452 0.096 9 0 "[ . 1 . 2]"
1 5 GLN 2.777 0.096 9 0 "[ . 1 . 2]"
1 6 HIS 0.132 0.038 5 0 "[ . 1 . 2]"
1 7 GLY 0.245 0.036 11 0 "[ . 1 . 2]"
1 8 LYS 0.088 0.018 6 0 "[ . 1 . 2]"
1 9 VAL 0.603 0.061 14 0 "[ . 1 . 2]"
1 10 VAL 0.898 0.062 19 0 "[ . 1 . 2]"
1 11 THR 0.052 0.019 2 0 "[ . 1 . 2]"
1 12 CYS 0.114 0.025 1 0 "[ . 1 . 2]"
1 13 HIS 0.483 0.076 8 0 "[ . 1 . 2]"
1 14 ARG 0.097 0.026 9 0 "[ . 1 . 2]"
1 15 ASP 0.310 0.065 15 0 "[ . 1 . 2]"
1 16 MET 1.374 0.074 20 0 "[ . 1 . 2]"
1 17 LYS 0.313 0.065 15 0 "[ . 1 . 2]"
1 18 PHE 1.988 0.078 18 0 "[ . 1 . 2]"
1 19 CYS 2.351 0.075 19 0 "[ . 1 . 2]"
1 20 TYR 2.173 0.086 11 0 "[ . 1 . 2]"
1 21 HIS 1.343 0.086 11 0 "[ . 1 . 2]"
1 22 ASN 1.347 0.091 13 0 "[ . 1 . 2]"
1 23 THR 0.132 0.033 16 0 "[ . 1 . 2]"
1 24 GLY 0.947 0.057 8 0 "[ . 1 . 2]"
1 25 MET 0.097 0.057 8 0 "[ . 1 . 2]"
1 30 LEU 0.002 0.002 7 0 "[ . 1 . 2]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.182 0.032 5 0 "[ . 1 . 2]"
1 33 ILE 0.720 0.104 16 0 "[ . 1 . 2]"
1 34 LEU 0.935 0.053 14 0 "[ . 1 . 2]"
1 35 GLN 1.303 0.093 16 0 "[ . 1 . 2]"
1 36 GLY 0.253 0.053 14 0 "[ . 1 . 2]"
1 37 CYS 0.928 0.053 13 0 "[ . 1 . 2]"
1 38 SER 1.424 0.078 18 0 "[ . 1 . 2]"
1 39 SER 0.157 0.032 14 0 "[ . 1 . 2]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 CYS 0.414 0.044 4 0 "[ . 1 . 2]"
1 42 SER 0.029 0.022 11 0 "[ . 1 . 2]"
1 43 GLU 0.227 0.035 1 0 "[ . 1 . 2]"
1 44 THR 0.042 0.015 20 0 "[ . 1 . 2]"
1 45 GLU 0.158 0.041 1 0 "[ . 1 . 2]"
1 46 ASN 0.696 0.038 12 0 "[ . 1 . 2]"
1 47 ASN 0.591 0.067 11 0 "[ . 1 . 2]"
1 48 LYS 1.790 0.091 13 0 "[ . 1 . 2]"
1 49 CYS 0.836 0.070 19 0 "[ . 1 . 2]"
1 50 CYS 0.661 0.089 19 0 "[ . 1 . 2]"
1 51 SER 0.450 0.059 12 0 "[ . 1 . 2]"
1 52 THR 0.749 0.159 17 0 "[ . 1 . 2]"
1 53 ASP 0.240 0.031 2 0 "[ . 1 . 2]"
1 54 ARG 0.197 0.047 20 0 "[ . 1 . 2]"
1 55 CYS 0.726 0.089 19 0 "[ . 1 . 2]"
1 56 ASN 0.369 0.039 6 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 LYS H 1 2 LYS HA 1.800 . 3.000 2.876 2.824 2.958 . 0 0 "[ . 1 . 2]" 1
2 1 2 LYS H 1 2 LYS HB2 1.800 . 4.000 4.001 3.820 4.068 0.068 9 0 "[ . 1 . 2]" 1
3 1 2 LYS H 1 2 LYS HB3 1.800 . 4.000 3.370 3.023 3.636 . 0 0 "[ . 1 . 2]" 1
4 1 2 LYS H 1 2 LYS HG2 1.800 . 5.000 2.524 2.262 2.893 . 0 0 "[ . 1 . 2]" 1
5 1 2 LYS H 1 2 LYS HG3 1.800 . 5.000 4.069 3.837 4.198 . 0 0 "[ . 1 . 2]" 1
6 1 2 LYS H 1 3 CYS HA 1.800 . 5.500 4.857 4.771 5.015 . 0 0 "[ . 1 . 2]" 1
7 1 2 LYS H 1 9 VAL MG1 1.800 . 6.000 5.189 4.421 5.832 . 0 0 "[ . 1 . 2]" 1
8 1 2 LYS H 1 12 CYS H 1.800 . 5.500 5.370 4.991 5.521 0.021 19 0 "[ . 1 . 2]" 1
9 1 2 LYS H 1 53 ASP HA 1.800 . 4.000 2.938 2.464 3.618 . 0 0 "[ . 1 . 2]" 1
10 1 2 LYS H 1 54 ARG H 1.800 . 4.500 4.067 3.634 4.480 . 0 0 "[ . 1 . 2]" 1
11 1 2 LYS H 1 55 CYS H 1.800 . 6.000 5.956 5.596 6.068 0.068 3 0 "[ . 1 . 2]" 1
12 1 2 LYS HA 1 3 CYS H 1.800 . 3.500 2.387 2.295 2.613 . 0 0 "[ . 1 . 2]" 1
13 1 2 LYS HA 1 9 VAL MG1 1.800 . 6.000 4.747 3.986 5.900 . 0 0 "[ . 1 . 2]" 1
14 1 2 LYS HA 1 10 VAL H 1.800 . 5.000 5.002 4.931 5.027 0.027 1 0 "[ . 1 . 2]" 1
15 1 2 LYS HA 1 11 THR H 1.800 . 5.500 4.761 4.645 5.098 . 0 0 "[ . 1 . 2]" 1
16 1 2 LYS HA 1 11 THR HA 1.800 . 3.000 2.305 2.178 2.541 . 0 0 "[ . 1 . 2]" 1
17 1 2 LYS HA 1 12 CYS H 1.800 . 3.000 2.726 2.262 2.957 . 0 0 "[ . 1 . 2]" 1
18 1 2 LYS QB 1 9 VAL HA 1.800 . 6.000 4.289 3.770 4.675 . 0 0 "[ . 1 . 2]" 1
19 1 2 LYS QB 1 10 VAL H 1.800 . 6.000 3.743 3.295 4.241 . 0 0 "[ . 1 . 2]" 1
20 1 2 LYS HB2 1 3 CYS H 1.800 . 4.000 2.519 1.988 2.749 . 0 0 "[ . 1 . 2]" 1
21 1 2 LYS HB2 1 11 THR H 1.800 . 5.500 3.878 3.319 4.588 . 0 0 "[ . 1 . 2]" 1
22 1 2 LYS HB2 1 12 CYS H 1.800 . 5.000 4.260 3.723 4.622 . 0 0 "[ . 1 . 2]" 1
23 1 2 LYS HB3 1 3 CYS H 1.800 . 4.000 3.866 3.440 4.027 0.027 20 0 "[ . 1 . 2]" 1
24 1 2 LYS HB3 1 11 THR H 1.800 . 5.500 4.321 3.536 5.081 . 0 0 "[ . 1 . 2]" 1
25 1 2 LYS HB3 1 12 CYS H 1.800 . 5.000 4.504 3.999 4.894 . 0 0 "[ . 1 . 2]" 1
26 1 2 LYS HG2 1 3 CYS H 1.800 . 4.000 3.965 3.473 4.030 0.030 20 0 "[ . 1 . 2]" 1
27 1 2 LYS HG3 1 3 CYS H 1.800 . 4.000 3.745 3.050 4.029 0.029 3 0 "[ . 1 . 2]" 1
28 1 3 CYS H 1 3 CYS HA 1.800 . 3.000 2.879 2.837 2.919 . 0 0 "[ . 1 . 2]" 1
29 1 3 CYS H 1 3 CYS HB2 1.800 . 4.000 3.305 2.930 3.701 . 0 0 "[ . 1 . 2]" 1
30 1 3 CYS H 1 3 CYS HB3 1.800 . 4.000 3.873 3.221 3.982 . 0 0 "[ . 1 . 2]" 1
31 1 3 CYS H 1 4 TYR H 1.800 . 5.000 4.334 4.261 4.384 . 0 0 "[ . 1 . 2]" 1
32 1 3 CYS H 1 5 GLN H 1.800 . 5.000 4.576 4.390 4.859 . 0 0 "[ . 1 . 2]" 1
33 1 3 CYS H 1 9 VAL HA 1.800 . 4.500 3.852 3.281 4.161 . 0 0 "[ . 1 . 2]" 1
34 1 3 CYS H 1 9 VAL MG1 1.800 . 5.000 3.568 2.866 4.323 . 0 0 "[ . 1 . 2]" 1
35 1 3 CYS H 1 9 VAL MG2 1.800 . 6.000 5.302 4.717 5.943 . 0 0 "[ . 1 . 2]" 1
36 1 3 CYS H 1 10 VAL H 1.800 . 3.500 3.071 2.723 3.317 . 0 0 "[ . 1 . 2]" 1
37 1 3 CYS H 1 10 VAL HB 1.800 . 6.000 5.327 4.639 5.822 . 0 0 "[ . 1 . 2]" 1
38 1 3 CYS H 1 11 THR HA 1.800 . 4.000 3.685 3.422 3.991 . 0 0 "[ . 1 . 2]" 1
39 1 3 CYS H 1 12 CYS H 1.800 . 4.000 3.671 3.129 4.015 0.015 18 0 "[ . 1 . 2]" 1
40 1 3 CYS H 1 54 ARG H 1.800 . 5.500 4.676 4.253 5.434 . 0 0 "[ . 1 . 2]" 1
41 1 3 CYS HA 1 4 TYR H 1.800 . 3.000 2.660 2.360 2.832 . 0 0 "[ . 1 . 2]" 1
42 1 3 CYS HA 1 5 GLN H 1.800 . 5.500 5.326 5.061 5.502 0.002 11 0 "[ . 1 . 2]" 1
43 1 3 CYS HA 1 9 VAL MG1 1.800 . 5.000 3.027 2.467 3.622 . 0 0 "[ . 1 . 2]" 1
44 1 3 CYS HA 1 10 VAL H 1.800 . 5.000 4.533 4.236 4.899 . 0 0 "[ . 1 . 2]" 1
45 1 3 CYS HA 1 54 ARG H 1.800 . 3.500 2.662 2.303 3.188 . 0 0 "[ . 1 . 2]" 1
46 1 3 CYS HA 1 55 CYS H 1.800 . 5.000 4.081 3.875 4.599 . 0 0 "[ . 1 . 2]" 1
47 1 3 CYS HA 1 56 ASN H 1.800 . 5.000 4.442 3.901 4.783 . 0 0 "[ . 1 . 2]" 1
48 1 3 CYS QB 1 19 CYS HA 1.800 . 5.000 3.954 3.770 4.293 . 0 0 "[ . 1 . 2]" 1
49 1 3 CYS QB 1 55 CYS H 1.800 . 6.000 4.024 3.457 4.609 . 0 0 "[ . 1 . 2]" 1
50 1 3 CYS HB2 1 4 TYR H 1.800 . 4.000 2.735 1.867 3.907 . 0 0 "[ . 1 . 2]" 1
51 1 3 CYS HB2 1 37 CYS HA 1.800 . 6.000 5.066 4.742 5.493 . 0 0 "[ . 1 . 2]" 1
52 1 3 CYS HB2 1 54 ARG H 1.800 . 5.500 4.965 3.857 5.508 0.008 10 0 "[ . 1 . 2]" 1
53 1 3 CYS HB2 1 56 ASN H 1.800 . 5.500 4.946 4.111 5.529 0.029 4 0 "[ . 1 . 2]" 1
54 1 3 CYS HB3 1 4 TYR H 1.800 . 4.000 2.477 1.788 2.991 0.012 1 0 "[ . 1 . 2]" 1
55 1 3 CYS HB3 1 37 CYS HA 1.800 . 6.000 5.643 4.520 6.042 0.042 3 0 "[ . 1 . 2]" 1
56 1 3 CYS HB3 1 54 ARG H 1.800 . 5.500 4.194 3.456 5.283 . 0 0 "[ . 1 . 2]" 1
57 1 3 CYS HB3 1 56 ASN H 1.800 . 5.500 3.751 2.967 5.502 0.002 15 0 "[ . 1 . 2]" 1
58 1 4 TYR H 1 4 TYR HA 1.800 . 3.000 2.911 2.838 2.941 . 0 0 "[ . 1 . 2]" 1
59 1 4 TYR H 1 4 TYR HB2 1.800 . 4.000 2.295 2.244 2.335 . 0 0 "[ . 1 . 2]" 1
60 1 4 TYR H 1 4 TYR HB3 1.800 . 4.000 3.565 3.529 3.594 . 0 0 "[ . 1 . 2]" 1
61 1 4 TYR H 1 4 TYR QD 1.800 . 4.000 3.000 2.798 3.142 . 0 0 "[ . 1 . 2]" 1
62 1 4 TYR H 1 4 TYR QE 1.800 . 6.000 4.884 4.621 5.044 . 0 0 "[ . 1 . 2]" 1
63 1 4 TYR H 1 5 GLN H 1.800 . 4.000 4.059 4.024 4.096 0.096 9 0 "[ . 1 . 2]" 1
64 1 4 TYR H 1 5 GLN QB 1.800 . 6.000 5.110 4.932 5.363 . 0 0 "[ . 1 . 2]" 1
65 1 4 TYR H 1 9 VAL HA 1.800 . 5.000 4.180 3.605 4.805 . 0 0 "[ . 1 . 2]" 1
66 1 4 TYR H 1 9 VAL MG1 1.800 . 6.000 4.354 3.359 5.087 . 0 0 "[ . 1 . 2]" 1
67 1 4 TYR H 1 9 VAL MG2 1.800 . 6.000 5.021 3.921 6.015 0.015 4 0 "[ . 1 . 2]" 1
68 1 4 TYR H 1 10 VAL H 1.800 . 5.500 4.838 4.714 4.944 . 0 0 "[ . 1 . 2]" 1
69 1 4 TYR H 1 19 CYS HB2 1.800 . 6.000 5.585 4.892 5.992 . 0 0 "[ . 1 . 2]" 1
70 1 4 TYR H 1 19 CYS HB3 1.800 . 6.000 4.538 3.808 5.997 . 0 0 "[ . 1 . 2]" 1
71 1 4 TYR H 1 54 ARG H 1.800 . 5.500 4.989 4.636 5.488 . 0 0 "[ . 1 . 2]" 1
72 1 4 TYR H 1 55 CYS H 1.800 . 6.000 5.292 4.948 5.752 . 0 0 "[ . 1 . 2]" 1
73 1 4 TYR H 1 56 ASN H 1.800 . 4.500 4.258 3.784 4.524 0.024 4 0 "[ . 1 . 2]" 1
74 1 4 TYR HA 1 5 GLN H 1.800 . 3.500 2.226 2.199 2.271 . 0 0 "[ . 1 . 2]" 1
75 1 4 TYR HA 1 6 HIS H 1.800 . 4.000 3.618 3.258 3.983 . 0 0 "[ . 1 . 2]" 1
76 1 4 TYR HA 1 10 VAL H 1.800 . 4.000 3.265 3.153 3.346 . 0 0 "[ . 1 . 2]" 1
77 1 4 TYR QB 1 56 ASN H 1.800 . 6.000 4.968 4.586 5.293 . 0 0 "[ . 1 . 2]" 1
78 1 4 TYR HB2 1 5 GLN H 1.800 . 5.000 4.545 4.512 4.572 . 0 0 "[ . 1 . 2]" 1
79 1 4 TYR HB2 1 7 GLY H 1.800 . 5.000 4.963 4.711 5.036 0.036 11 0 "[ . 1 . 2]" 1
80 1 4 TYR HB2 1 10 VAL H 1.800 . 6.000 6.030 6.002 6.062 0.062 19 0 "[ . 1 . 2]" 1
81 1 4 TYR HB3 1 5 GLN H 1.800 . 5.000 4.003 3.945 4.078 . 0 0 "[ . 1 . 2]" 1
82 1 4 TYR HB3 1 7 GLY H 1.800 . 5.000 3.313 3.082 3.382 . 0 0 "[ . 1 . 2]" 1
83 1 4 TYR HB3 1 10 VAL H 1.800 . 6.000 5.840 5.725 5.950 . 0 0 "[ . 1 . 2]" 1
84 1 4 TYR QD 1 5 GLN H 1.800 . 5.000 4.150 4.029 4.253 . 0 0 "[ . 1 . 2]" 1
85 1 4 TYR QD 1 7 GLY H 1.800 . 6.000 3.702 3.260 3.941 . 0 0 "[ . 1 . 2]" 1
86 1 4 TYR QD 1 8 LYS H 1.800 . 6.000 3.093 2.710 4.030 . 0 0 "[ . 1 . 2]" 1
87 1 4 TYR QD 1 9 VAL H 1.800 . 6.000 3.365 2.689 4.331 . 0 0 "[ . 1 . 2]" 1
88 1 4 TYR QD 1 9 VAL MG1 1.800 . 5.000 4.109 2.829 4.797 . 0 0 "[ . 1 . 2]" 1
89 1 4 TYR QD 1 9 VAL MG2 1.800 . 5.000 3.502 3.021 4.253 . 0 0 "[ . 1 . 2]" 1
90 1 4 TYR QD 1 10 VAL H 1.800 . 6.000 4.788 4.600 5.122 . 0 0 "[ . 1 . 2]" 1
91 1 4 TYR QD 1 54 ARG H 1.800 . 6.000 5.507 4.661 5.911 . 0 0 "[ . 1 . 2]" 1
92 1 4 TYR QD 1 55 CYS H 1.800 . 6.000 5.390 5.158 5.878 . 0 0 "[ . 1 . 2]" 1
93 1 4 TYR QD 1 56 ASN H 1.800 . 6.000 4.218 3.842 4.562 . 0 0 "[ . 1 . 2]" 1
94 1 4 TYR QE 1 5 GLN H 1.800 . 6.000 6.058 6.029 6.093 0.093 4 0 "[ . 1 . 2]" 1
95 1 4 TYR QE 1 9 VAL H 1.800 . 6.000 2.569 1.815 3.577 . 0 0 "[ . 1 . 2]" 1
96 1 4 TYR QE 1 9 VAL MG1 1.800 . 5.000 3.778 2.556 4.562 . 0 0 "[ . 1 . 2]" 1
97 1 4 TYR QE 1 9 VAL MG2 1.800 . 5.000 2.448 2.097 3.001 . 0 0 "[ . 1 . 2]" 1
98 1 4 TYR QE 1 54 ARG H 1.800 . 6.000 5.702 4.736 6.034 0.034 19 0 "[ . 1 . 2]" 1
99 1 4 TYR QE 1 55 CYS H 1.800 . 6.000 5.952 5.675 6.027 0.027 18 0 "[ . 1 . 2]" 1
100 1 4 TYR QE 1 56 ASN H 1.800 . 6.000 5.544 5.041 6.028 0.028 6 0 "[ . 1 . 2]" 1
101 1 5 GLN H 1 5 GLN HB2 1.800 . 3.000 2.558 2.373 2.841 . 0 0 "[ . 1 . 2]" 1
102 1 5 GLN H 1 5 GLN HB3 1.800 . 3.000 2.735 2.474 2.916 . 0 0 "[ . 1 . 2]" 1
103 1 5 GLN H 1 5 GLN QG 1.800 . 5.000 3.977 3.904 4.073 . 0 0 "[ . 1 . 2]" 1
104 1 5 GLN H 1 6 HIS HA 1.800 . 5.500 4.940 4.797 5.099 . 0 0 "[ . 1 . 2]" 1
105 1 5 GLN H 1 6 HIS QB 1.800 . 6.000 4.435 4.154 4.699 . 0 0 "[ . 1 . 2]" 1
106 1 5 GLN H 1 7 GLY H 1.800 . 4.500 3.964 3.675 4.167 . 0 0 "[ . 1 . 2]" 1
107 1 5 GLN H 1 8 LYS H 1.800 . 6.000 3.946 3.570 4.642 . 0 0 "[ . 1 . 2]" 1
108 1 5 GLN H 1 8 LYS QG 1.800 . 6.000 5.434 4.835 5.743 . 0 0 "[ . 1 . 2]" 1
109 1 5 GLN H 1 9 VAL H 1.800 . 6.000 5.548 5.243 5.892 . 0 0 "[ . 1 . 2]" 1
110 1 5 GLN H 1 9 VAL HA 1.800 . 4.000 3.914 3.658 4.055 0.055 11 0 "[ . 1 . 2]" 1
111 1 5 GLN H 1 9 VAL MG1 1.800 . 6.000 5.250 4.889 5.470 . 0 0 "[ . 1 . 2]" 1
112 1 5 GLN H 1 9 VAL MG2 1.800 . 6.000 5.590 5.140 5.999 . 0 0 "[ . 1 . 2]" 1
113 1 5 GLN H 1 10 VAL H 1.800 . 4.000 2.967 2.788 3.121 . 0 0 "[ . 1 . 2]" 1
114 1 5 GLN H 1 10 VAL MG1 1.800 . 5.000 3.847 2.301 4.648 . 0 0 "[ . 1 . 2]" 1
115 1 5 GLN H 1 10 VAL MG2 1.800 . 5.000 2.202 1.788 2.771 0.012 2 0 "[ . 1 . 2]" 1
116 1 5 GLN H 1 35 GLN QB 1.800 . 6.000 5.702 4.765 6.017 0.017 20 0 "[ . 1 . 2]" 1
117 1 5 GLN HA 1 6 HIS H 1.800 . 4.000 3.522 3.415 3.571 . 0 0 "[ . 1 . 2]" 1
118 1 5 GLN HA 1 7 GLY H 1.800 . 4.500 4.408 4.248 4.511 0.011 16 0 "[ . 1 . 2]" 1
119 1 5 GLN HA 1 37 CYS H 1.800 . 6.000 4.512 3.740 5.279 . 0 0 "[ . 1 . 2]" 1
120 1 5 GLN QB 1 8 LYS H 1.800 . 6.000 4.956 4.501 5.510 . 0 0 "[ . 1 . 2]" 1
121 1 5 GLN QB 1 9 VAL HA 1.800 . 6.000 5.323 5.089 5.511 . 0 0 "[ . 1 . 2]" 1
122 1 5 GLN HB2 1 6 HIS H 1.800 . 4.000 3.748 3.437 4.014 0.014 19 0 "[ . 1 . 2]" 1
123 1 5 GLN HB2 1 7 GLY H 1.800 . 6.000 5.832 5.550 6.028 0.028 11 0 "[ . 1 . 2]" 1
124 1 5 GLN HB2 1 10 VAL H 1.800 . 5.000 4.198 3.781 4.651 . 0 0 "[ . 1 . 2]" 1
125 1 5 GLN HB2 1 37 CYS H 1.800 . 6.000 4.628 4.044 5.119 . 0 0 "[ . 1 . 2]" 1
126 1 5 GLN HB3 1 6 HIS H 1.800 . 4.000 2.726 2.254 3.235 . 0 0 "[ . 1 . 2]" 1
127 1 5 GLN HB3 1 7 GLY H 1.800 . 6.000 5.150 4.797 5.425 . 0 0 "[ . 1 . 2]" 1
128 1 5 GLN HB3 1 10 VAL H 1.800 . 5.000 4.504 4.139 4.795 . 0 0 "[ . 1 . 2]" 1
129 1 5 GLN HB3 1 37 CYS H 1.800 . 6.000 5.800 5.337 6.018 0.018 6 0 "[ . 1 . 2]" 1
130 1 5 GLN QG 1 36 GLY H 1.800 . 6.000 5.303 4.756 5.930 . 0 0 "[ . 1 . 2]" 1
131 1 5 GLN QG 1 37 CYS H 1.800 . 6.000 3.177 2.320 4.264 . 0 0 "[ . 1 . 2]" 1
132 1 6 HIS H 1 6 HIS HA 1.800 . 3.000 2.952 2.919 2.961 . 0 0 "[ . 1 . 2]" 1
133 1 6 HIS H 1 6 HIS HB2 1.800 . 4.000 2.663 2.406 2.972 . 0 0 "[ . 1 . 2]" 1
134 1 6 HIS H 1 6 HIS HB3 1.800 . 4.000 3.451 2.896 3.837 . 0 0 "[ . 1 . 2]" 1
135 1 6 HIS H 1 9 VAL H 1.800 . 6.000 5.958 5.786 6.038 0.038 5 0 "[ . 1 . 2]" 1
136 1 6 HIS HA 1 7 GLY H 1.800 . 3.500 2.781 2.677 2.921 . 0 0 "[ . 1 . 2]" 1
137 1 6 HIS HB2 1 7 GLY H 1.800 . 5.000 4.406 4.194 4.612 . 0 0 "[ . 1 . 2]" 1
138 1 6 HIS HB2 1 8 LYS H 1.800 . 4.500 3.874 3.348 4.504 0.004 10 0 "[ . 1 . 2]" 1
139 1 6 HIS HB3 1 7 GLY H 1.800 . 5.000 4.323 4.171 4.443 . 0 0 "[ . 1 . 2]" 1
140 1 6 HIS HB3 1 8 LYS H 1.800 . 4.500 3.773 3.097 4.441 . 0 0 "[ . 1 . 2]" 1
141 1 7 GLY H 1 8 LYS H 1.800 . 4.500 2.722 2.524 3.121 . 0 0 "[ . 1 . 2]" 1
142 1 7 GLY H 1 8 LYS QG 1.800 . 5.500 4.222 3.864 4.589 . 0 0 "[ . 1 . 2]" 1
143 1 7 GLY HA2 1 8 LYS H 1.800 . 4.000 3.370 3.193 3.529 . 0 0 "[ . 1 . 2]" 1
144 1 7 GLY HA3 1 8 LYS H 1.800 . 4.000 3.145 2.839 3.345 . 0 0 "[ . 1 . 2]" 1
145 1 8 LYS H 1 8 LYS HB2 1.800 . 4.000 3.104 2.891 3.413 . 0 0 "[ . 1 . 2]" 1
146 1 8 LYS H 1 8 LYS HB3 1.800 . 4.000 3.795 3.562 3.904 . 0 0 "[ . 1 . 2]" 1
147 1 8 LYS H 1 8 LYS QD 1.800 . 5.000 4.138 3.109 4.522 . 0 0 "[ . 1 . 2]" 1
148 1 8 LYS H 1 8 LYS QG 1.800 . 4.000 2.196 1.805 2.455 . 0 0 "[ . 1 . 2]" 1
149 1 8 LYS H 1 9 VAL H 1.800 . 5.000 4.357 4.164 4.528 . 0 0 "[ . 1 . 2]" 1
150 1 8 LYS H 1 10 VAL H 1.800 . 6.000 5.014 4.595 5.695 . 0 0 "[ . 1 . 2]" 1
151 1 8 LYS H 1 10 VAL MG1 1.800 . 6.000 3.982 3.378 5.268 . 0 0 "[ . 1 . 2]" 1
152 1 8 LYS H 1 10 VAL MG2 1.800 . 6.000 4.079 3.357 5.416 . 0 0 "[ . 1 . 2]" 1
153 1 8 LYS HA 1 9 VAL H 1.800 . 3.000 2.262 2.147 2.619 . 0 0 "[ . 1 . 2]" 1
154 1 8 LYS HA 1 9 VAL MG2 1.800 . 5.500 3.491 3.175 3.797 . 0 0 "[ . 1 . 2]" 1
155 1 8 LYS HA 1 10 VAL H 1.800 . 6.000 5.390 5.161 5.723 . 0 0 "[ . 1 . 2]" 1
156 1 8 LYS HB2 1 9 VAL H 1.800 . 4.000 3.533 2.743 3.996 . 0 0 "[ . 1 . 2]" 1
157 1 8 LYS HB2 1 10 VAL H 1.800 . 6.000 4.754 4.628 4.915 . 0 0 "[ . 1 . 2]" 1
158 1 8 LYS HB3 1 9 VAL H 1.800 . 4.000 3.215 2.442 3.872 . 0 0 "[ . 1 . 2]" 1
159 1 8 LYS HB3 1 10 VAL H 1.800 . 6.000 5.926 5.657 6.018 0.018 6 0 "[ . 1 . 2]" 1
160 1 8 LYS QD 1 9 VAL H 1.800 . 6.000 5.151 4.209 5.702 . 0 0 "[ . 1 . 2]" 1
161 1 8 LYS QE 1 9 VAL H 1.800 . 6.000 5.687 4.855 6.003 0.003 9 0 "[ . 1 . 2]" 1
162 1 8 LYS QG 1 9 VAL H 1.800 . 5.000 4.469 4.184 4.613 . 0 0 "[ . 1 . 2]" 1
163 1 8 LYS QG 1 10 VAL H 1.800 . 6.000 5.834 5.253 6.014 0.014 9 0 "[ . 1 . 2]" 1
164 1 9 VAL H 1 9 VAL HB 1.800 . 3.500 2.894 2.377 3.561 0.061 14 0 "[ . 1 . 2]" 1
165 1 9 VAL H 1 9 VAL MG1 1.800 . 5.000 3.411 2.435 3.807 . 0 0 "[ . 1 . 2]" 1
166 1 9 VAL H 1 9 VAL MG2 1.800 . 5.000 1.965 1.775 2.471 0.025 8 0 "[ . 1 . 2]" 1
167 1 9 VAL H 1 10 VAL H 1.800 . 5.000 4.259 4.162 4.325 . 0 0 "[ . 1 . 2]" 1
168 1 9 VAL HA 1 10 VAL H 1.800 . 3.000 2.207 2.167 2.260 . 0 0 "[ . 1 . 2]" 1
169 1 9 VAL HA 1 10 VAL MG1 1.800 . 5.000 4.101 3.504 4.988 . 0 0 "[ . 1 . 2]" 1
170 1 9 VAL HA 1 10 VAL MG2 1.800 . 5.000 3.706 3.306 4.227 . 0 0 "[ . 1 . 2]" 1
171 1 9 VAL HB 1 10 VAL H 1.800 . 5.000 4.275 3.928 4.494 . 0 0 "[ . 1 . 2]" 1
172 1 9 VAL MG1 1 10 VAL H 1.800 . 6.000 3.452 3.047 4.093 . 0 0 "[ . 1 . 2]" 1
173 1 9 VAL MG2 1 10 VAL H 1.800 . 6.000 4.252 4.086 4.422 . 0 0 "[ . 1 . 2]" 1
174 1 9 VAL MG2 1 10 VAL HA 1.800 . 6.000 5.239 4.256 5.689 . 0 0 "[ . 1 . 2]" 1
175 1 10 VAL H 1 10 VAL HA 1.800 . 3.000 2.951 2.884 2.963 . 0 0 "[ . 1 . 2]" 1
176 1 10 VAL H 1 10 VAL HB 1.800 . 4.000 3.692 3.345 3.837 . 0 0 "[ . 1 . 2]" 1
177 1 10 VAL H 1 10 VAL MG1 1.800 . 4.500 2.914 2.198 3.737 . 0 0 "[ . 1 . 2]" 1
178 1 10 VAL H 1 10 VAL MG2 1.800 . 4.500 1.958 1.798 2.335 0.002 17 0 "[ . 1 . 2]" 1
179 1 10 VAL H 1 11 THR H 1.800 . 5.000 4.492 4.415 4.600 . 0 0 "[ . 1 . 2]" 1
180 1 10 VAL HA 1 11 THR H 1.800 . 3.000 2.284 2.218 2.387 . 0 0 "[ . 1 . 2]" 1
181 1 10 VAL HA 1 12 CYS H 1.800 . 6.000 5.441 4.386 5.968 . 0 0 "[ . 1 . 2]" 1
182 1 10 VAL HB 1 11 THR H 1.800 . 3.000 2.800 2.474 3.019 0.019 2 0 "[ . 1 . 2]" 1
183 1 10 VAL HB 1 12 CYS H 1.800 . 6.000 4.971 3.266 5.751 . 0 0 "[ . 1 . 2]" 1
184 1 10 VAL MG1 1 11 THR H 1.800 . 5.000 3.644 2.594 4.150 . 0 0 "[ . 1 . 2]" 1
185 1 10 VAL MG2 1 11 THR H 1.800 . 5.000 3.791 3.263 4.196 . 0 0 "[ . 1 . 2]" 1
186 1 11 THR H 1 11 THR HA 1.800 . 3.000 2.887 2.825 2.946 . 0 0 "[ . 1 . 2]" 1
187 1 11 THR H 1 11 THR HB 1.800 . 3.000 2.591 2.304 3.008 0.008 11 0 "[ . 1 . 2]" 1
188 1 11 THR H 1 11 THR MG 1.800 . 5.000 3.285 1.787 3.763 0.013 19 0 "[ . 1 . 2]" 1
189 1 11 THR H 1 12 CYS H 1.800 . 5.000 4.199 3.384 4.532 . 0 0 "[ . 1 . 2]" 1
190 1 11 THR H 1 12 CYS HA 1.800 . 6.000 5.210 4.705 5.453 . 0 0 "[ . 1 . 2]" 1
191 1 11 THR HA 1 12 CYS H 1.800 . 3.000 2.242 2.144 2.654 . 0 0 "[ . 1 . 2]" 1
192 1 11 THR HB 1 12 CYS H 1.800 . 5.000 4.402 4.226 4.673 . 0 0 "[ . 1 . 2]" 1
193 1 11 THR MG 1 12 CYS H 1.800 . 4.500 3.374 2.621 4.291 . 0 0 "[ . 1 . 2]" 1
194 1 12 CYS H 1 12 CYS HA 1.800 . 3.000 2.792 2.711 2.868 . 0 0 "[ . 1 . 2]" 1
195 1 12 CYS H 1 12 CYS HB2 1.800 . 4.000 2.751 2.087 3.216 . 0 0 "[ . 1 . 2]" 1
196 1 12 CYS H 1 12 CYS HB3 1.800 . 4.000 3.521 3.382 3.601 . 0 0 "[ . 1 . 2]" 1
197 1 12 CYS H 1 16 MET HB2 1.800 . 6.000 5.421 5.017 6.025 0.025 1 0 "[ . 1 . 2]" 1
198 1 12 CYS H 1 16 MET HB3 1.800 . 6.000 5.620 4.841 6.003 0.003 9 0 "[ . 1 . 2]" 1
199 1 12 CYS HA 1 13 HIS H 1.800 . 3.000 2.549 2.157 2.955 . 0 0 "[ . 1 . 2]" 1
200 1 12 CYS QB 1 16 MET H 1.800 . 5.000 4.105 3.405 4.437 . 0 0 "[ . 1 . 2]" 1
201 1 12 CYS QB 1 37 CYS H 1.800 . 6.000 4.372 3.235 4.705 . 0 0 "[ . 1 . 2]" 1
202 1 12 CYS HB2 1 13 HIS H 1.800 . 4.000 3.160 2.037 3.972 . 0 0 "[ . 1 . 2]" 1
203 1 12 CYS HB2 1 37 CYS HA 1.800 . 6.000 5.449 4.925 5.870 . 0 0 "[ . 1 . 2]" 1
204 1 12 CYS HB2 1 38 SER H 1.800 . 6.000 5.475 4.796 5.938 . 0 0 "[ . 1 . 2]" 1
205 1 12 CYS HB3 1 13 HIS H 1.800 . 4.000 2.475 1.791 3.513 0.009 13 0 "[ . 1 . 2]" 1
206 1 12 CYS HB3 1 37 CYS HA 1.800 . 6.000 5.172 4.686 5.673 . 0 0 "[ . 1 . 2]" 1
207 1 12 CYS HB3 1 38 SER H 1.800 . 6.000 5.367 4.625 5.987 . 0 0 "[ . 1 . 2]" 1
208 1 13 HIS H 1 13 HIS HA 1.800 . 3.000 2.826 2.679 2.952 . 0 0 "[ . 1 . 2]" 1
209 1 13 HIS H 1 13 HIS HB2 1.800 . 3.500 2.630 2.105 3.279 . 0 0 "[ . 1 . 2]" 1
210 1 13 HIS H 1 13 HIS HB3 1.800 . 3.500 3.243 2.864 3.576 0.076 8 0 "[ . 1 . 2]" 1
211 1 13 HIS H 1 14 ARG H 1.800 . 5.000 4.456 4.063 4.650 . 0 0 "[ . 1 . 2]" 1
212 1 13 HIS H 1 14 ARG HA 1.800 . 6.000 5.745 5.476 5.910 . 0 0 "[ . 1 . 2]" 1
213 1 13 HIS H 1 15 ASP H 1.800 . 5.500 4.761 3.832 5.488 . 0 0 "[ . 1 . 2]" 1
214 1 13 HIS H 1 16 MET H 1.800 . 5.000 4.136 3.738 4.686 . 0 0 "[ . 1 . 2]" 1
215 1 13 HIS H 1 16 MET HB2 1.800 . 5.000 3.455 2.693 4.999 . 0 0 "[ . 1 . 2]" 1
216 1 13 HIS H 1 16 MET HB3 1.800 . 5.000 4.344 3.281 5.015 0.015 10 0 "[ . 1 . 2]" 1
217 1 13 HIS H 1 16 MET HG2 1.800 . 5.500 4.899 3.836 5.519 0.019 11 0 "[ . 1 . 2]" 1
218 1 13 HIS H 1 16 MET HG3 1.800 . 5.500 4.876 4.216 5.476 . 0 0 "[ . 1 . 2]" 1
219 1 13 HIS HA 1 14 ARG H 1.800 . 3.000 2.611 2.175 3.011 0.011 3 0 "[ . 1 . 2]" 1
220 1 13 HIS HB2 1 14 ARG H 1.800 . 4.000 3.606 2.704 4.026 0.026 9 0 "[ . 1 . 2]" 1
221 1 13 HIS HB2 1 15 ASP H 1.800 . 5.000 4.064 2.631 5.052 0.052 10 0 "[ . 1 . 2]" 1
222 1 13 HIS HB3 1 14 ARG H 1.800 . 4.000 2.517 1.848 3.270 . 0 0 "[ . 1 . 2]" 1
223 1 13 HIS HB3 1 15 ASP H 1.800 . 5.000 3.208 2.113 4.416 . 0 0 "[ . 1 . 2]" 1
224 1 14 ARG H 1 14 ARG HA 1.800 . 3.000 2.662 2.295 2.930 . 0 0 "[ . 1 . 2]" 1
225 1 14 ARG H 1 14 ARG HB2 1.800 . 4.000 2.773 2.069 3.794 . 0 0 "[ . 1 . 2]" 1
226 1 14 ARG H 1 14 ARG HB3 1.800 . 4.000 3.400 2.249 4.023 0.023 16 0 "[ . 1 . 2]" 1
227 1 14 ARG H 1 16 MET H 1.800 . 5.000 4.518 3.907 5.017 0.017 15 0 "[ . 1 . 2]" 1
228 1 14 ARG HA 1 15 ASP H 1.800 . 4.000 3.328 2.805 3.545 . 0 0 "[ . 1 . 2]" 1
229 1 14 ARG HB2 1 15 ASP H 1.800 . 5.000 3.722 2.841 4.394 . 0 0 "[ . 1 . 2]" 1
230 1 14 ARG HB3 1 15 ASP H 1.800 . 5.000 3.724 2.573 4.533 . 0 0 "[ . 1 . 2]" 1
231 1 15 ASP H 1 15 ASP HA 1.800 . 3.000 2.766 2.294 2.959 . 0 0 "[ . 1 . 2]" 1
232 1 15 ASP H 1 15 ASP HB2 1.800 . 4.000 2.876 2.062 4.000 0.000 11 0 "[ . 1 . 2]" 1
233 1 15 ASP H 1 15 ASP HB3 1.800 . 4.000 3.446 2.370 4.056 0.056 15 0 "[ . 1 . 2]" 1
234 1 15 ASP H 1 16 MET QB 1.800 . 6.000 4.245 3.364 4.788 . 0 0 "[ . 1 . 2]" 1
235 1 15 ASP HA 1 16 MET H 1.800 . 4.000 3.399 2.563 3.576 . 0 0 "[ . 1 . 2]" 1
236 1 15 ASP HA 1 17 LYS H 1.800 . 6.000 5.692 5.157 6.065 0.065 15 0 "[ . 1 . 2]" 1
237 1 15 ASP QB 1 16 MET H 1.800 . 4.500 2.820 2.196 3.988 . 0 0 "[ . 1 . 2]" 1
238 1 15 ASP QB 1 17 LYS H 1.800 . 6.000 5.437 5.041 5.916 . 0 0 "[ . 1 . 2]" 1
239 1 16 MET H 1 16 MET HA 1.800 . 3.000 2.828 2.731 2.903 . 0 0 "[ . 1 . 2]" 1
240 1 16 MET H 1 16 MET HB2 1.800 . 3.500 2.595 2.252 3.523 0.023 19 0 "[ . 1 . 2]" 1
241 1 16 MET H 1 16 MET HB3 1.800 . 3.500 3.282 2.148 3.574 0.074 20 0 "[ . 1 . 2]" 1
242 1 16 MET H 1 16 MET HG2 1.800 . 4.000 3.838 3.507 4.005 0.005 2 0 "[ . 1 . 2]" 1
243 1 16 MET H 1 16 MET HG3 1.800 . 4.000 2.689 1.991 3.665 . 0 0 "[ . 1 . 2]" 1
244 1 16 MET H 1 17 LYS H 1.800 . 5.000 4.501 4.338 4.601 . 0 0 "[ . 1 . 2]" 1
245 1 16 MET H 1 18 PHE H 1.800 . 6.000 5.764 5.613 5.958 . 0 0 "[ . 1 . 2]" 1
246 1 16 MET H 1 37 CYS HB2 1.800 . 6.000 5.086 4.711 5.281 . 0 0 "[ . 1 . 2]" 1
247 1 16 MET H 1 37 CYS HB3 1.800 . 6.000 5.955 5.732 6.041 0.041 19 0 "[ . 1 . 2]" 1
248 1 16 MET H 1 39 SER HA 1.800 . 5.500 5.307 4.844 5.518 0.018 18 0 "[ . 1 . 2]" 1
249 1 16 MET H 1 39 SER QB 1.800 . 5.500 4.762 4.011 5.490 . 0 0 "[ . 1 . 2]" 1
250 1 16 MET HA 1 17 LYS H 1.800 . 3.000 2.167 2.139 2.196 . 0 0 "[ . 1 . 2]" 1
251 1 16 MET HA 1 18 PHE H 1.800 . 4.000 3.436 3.208 3.617 . 0 0 "[ . 1 . 2]" 1
252 1 16 MET HA 1 38 SER H 1.800 . 4.500 4.003 3.629 4.459 . 0 0 "[ . 1 . 2]" 1
253 1 16 MET QB 1 37 CYS H 1.800 . 6.000 4.890 4.562 5.113 . 0 0 "[ . 1 . 2]" 1
254 1 16 MET HB2 1 17 LYS H 1.800 . 5.000 4.130 3.222 4.548 . 0 0 "[ . 1 . 2]" 1
255 1 16 MET HB2 1 18 PHE H 1.800 . 5.000 4.535 3.274 5.022 0.022 4 0 "[ . 1 . 2]" 1
256 1 16 MET HB2 1 37 CYS HA 1.800 . 6.000 5.332 3.997 5.829 . 0 0 "[ . 1 . 2]" 1
257 1 16 MET HB2 1 38 SER H 1.800 . 5.500 4.232 2.385 4.936 . 0 0 "[ . 1 . 2]" 1
258 1 16 MET HB3 1 17 LYS H 1.800 . 5.000 3.648 3.173 4.350 . 0 0 "[ . 1 . 2]" 1
259 1 16 MET HB3 1 18 PHE H 1.800 . 5.000 3.703 3.098 4.941 . 0 0 "[ . 1 . 2]" 1
260 1 16 MET HB3 1 37 CYS HA 1.800 . 6.000 4.413 3.961 5.439 . 0 0 "[ . 1 . 2]" 1
261 1 16 MET HB3 1 38 SER H 1.800 . 5.500 3.223 2.572 4.223 . 0 0 "[ . 1 . 2]" 1
262 1 16 MET HG2 1 17 LYS H 1.800 . 5.000 4.701 4.154 5.008 0.008 17 0 "[ . 1 . 2]" 1
263 1 16 MET HG2 1 18 PHE H 1.800 . 6.000 4.788 4.344 5.283 . 0 0 "[ . 1 . 2]" 1
264 1 16 MET HG2 1 38 SER H 1.800 . 5.000 3.389 2.666 4.277 . 0 0 "[ . 1 . 2]" 1
265 1 16 MET HG3 1 17 LYS H 1.800 . 5.000 4.436 3.794 5.031 0.031 13 0 "[ . 1 . 2]" 1
266 1 16 MET HG3 1 18 PHE H 1.800 . 6.000 5.100 4.221 5.847 . 0 0 "[ . 1 . 2]" 1
267 1 16 MET HG3 1 38 SER H 1.800 . 5.000 4.542 3.399 5.037 0.037 19 0 "[ . 1 . 2]" 1
268 1 17 LYS H 1 17 LYS HA 1.800 . 3.000 2.958 2.953 2.960 . 0 0 "[ . 1 . 2]" 1
269 1 17 LYS H 1 18 PHE H 1.800 . 3.000 1.966 1.775 2.242 0.025 10 0 "[ . 1 . 2]" 1
270 1 17 LYS H 1 18 PHE HA 1.800 . 6.000 4.656 4.546 4.807 . 0 0 "[ . 1 . 2]" 1
271 1 17 LYS H 1 18 PHE HB2 1.800 . 6.000 4.112 3.989 4.235 . 0 0 "[ . 1 . 2]" 1
272 1 17 LYS H 1 18 PHE HB3 1.800 . 6.000 5.437 5.349 5.570 . 0 0 "[ . 1 . 2]" 1
273 1 17 LYS H 1 38 SER H 1.800 . 5.500 4.201 3.742 4.632 . 0 0 "[ . 1 . 2]" 1
274 1 17 LYS H 1 38 SER HA 1.800 . 6.000 5.031 4.367 5.684 . 0 0 "[ . 1 . 2]" 1
275 1 17 LYS H 1 39 SER HA 1.800 . 3.500 2.344 1.770 2.982 0.030 3 0 "[ . 1 . 2]" 1
276 1 17 LYS H 1 41 CYS H 1.800 . 6.000 5.834 5.481 6.033 0.033 6 0 "[ . 1 . 2]" 1
277 1 17 LYS HA 1 18 PHE H 1.800 . 4.000 3.264 3.069 3.363 . 0 0 "[ . 1 . 2]" 1
278 1 18 PHE H 1 18 PHE HA 1.800 . 3.000 2.941 2.904 2.962 . 0 0 "[ . 1 . 2]" 1
279 1 18 PHE H 1 18 PHE HB2 1.800 . 4.000 2.799 2.593 2.976 . 0 0 "[ . 1 . 2]" 1
280 1 18 PHE H 1 18 PHE HB3 1.800 . 4.000 3.862 3.750 3.959 . 0 0 "[ . 1 . 2]" 1
281 1 18 PHE H 1 19 CYS H 1.800 . 5.000 4.335 4.204 4.447 . 0 0 "[ . 1 . 2]" 1
282 1 18 PHE H 1 19 CYS HA 1.800 . 5.000 4.748 4.571 4.948 . 0 0 "[ . 1 . 2]" 1
283 1 18 PHE H 1 37 CYS HA 1.800 . 5.500 4.928 4.799 5.175 . 0 0 "[ . 1 . 2]" 1
284 1 18 PHE H 1 37 CYS QB 1.800 . 6.000 3.977 3.675 4.207 . 0 0 "[ . 1 . 2]" 1
285 1 18 PHE H 1 38 SER H 1.800 . 4.000 3.181 2.955 3.412 . 0 0 "[ . 1 . 2]" 1
286 1 18 PHE H 1 38 SER HA 1.800 . 6.000 5.069 4.662 5.378 . 0 0 "[ . 1 . 2]" 1
287 1 18 PHE H 1 39 SER HA 1.800 . 4.000 3.518 3.161 4.006 0.006 12 0 "[ . 1 . 2]" 1
288 1 18 PHE H 1 41 CYS HB2 1.800 . 6.000 5.333 4.781 5.944 . 0 0 "[ . 1 . 2]" 1
289 1 18 PHE H 1 41 CYS HB3 1.800 . 6.000 5.989 5.842 6.044 0.044 4 0 "[ . 1 . 2]" 1
290 1 18 PHE HA 1 19 CYS H 1.800 . 3.000 2.185 2.152 2.262 . 0 0 "[ . 1 . 2]" 1
291 1 18 PHE HA 1 19 CYS HA 1.800 . 5.000 4.386 4.375 4.397 . 0 0 "[ . 1 . 2]" 1
292 1 18 PHE HA 1 38 SER H 1.800 . 5.000 4.964 4.833 5.078 0.078 18 0 "[ . 1 . 2]" 1
293 1 18 PHE HA 1 49 CYS HA 1.800 . 6.000 6.035 5.966 6.070 0.070 19 0 "[ . 1 . 2]" 1
294 1 18 PHE HA 1 50 CYS H 1.800 . 5.000 4.663 4.438 5.003 0.003 13 0 "[ . 1 . 2]" 1
295 1 18 PHE QB 1 41 CYS H 1.800 . 4.500 3.184 2.679 3.548 . 0 0 "[ . 1 . 2]" 1
296 1 18 PHE QB 1 49 CYS HA 1.800 . 5.000 4.210 3.976 4.581 . 0 0 "[ . 1 . 2]" 1
297 1 18 PHE HB2 1 19 CYS H 1.800 . 4.000 4.011 3.885 4.050 0.050 19 0 "[ . 1 . 2]" 1
298 1 18 PHE HB2 1 38 SER H 1.800 . 5.000 3.805 3.515 4.050 . 0 0 "[ . 1 . 2]" 1
299 1 18 PHE HB2 1 50 CYS H 1.800 . 6.000 5.177 4.775 5.685 . 0 0 "[ . 1 . 2]" 1
300 1 18 PHE HB3 1 19 CYS H 1.800 . 4.000 3.067 2.749 3.265 . 0 0 "[ . 1 . 2]" 1
301 1 18 PHE HB3 1 38 SER H 1.800 . 5.000 4.989 4.790 5.040 0.040 20 0 "[ . 1 . 2]" 1
302 1 18 PHE HB3 1 50 CYS H 1.800 . 6.000 3.756 3.324 4.324 . 0 0 "[ . 1 . 2]" 1
303 1 19 CYS H 1 19 CYS HA 1.800 . 3.000 2.945 2.939 2.954 . 0 0 "[ . 1 . 2]" 1
304 1 19 CYS H 1 19 CYS HB2 1.800 . 4.000 2.636 2.434 2.812 . 0 0 "[ . 1 . 2]" 1
305 1 19 CYS H 1 19 CYS HB3 1.800 . 4.000 3.589 2.625 3.711 . 0 0 "[ . 1 . 2]" 1
306 1 19 CYS H 1 20 TYR H 1.800 . 5.000 4.522 4.465 4.558 . 0 0 "[ . 1 . 2]" 1
307 1 19 CYS H 1 20 TYR HA 1.800 . 5.000 5.033 5.001 5.072 0.072 20 0 "[ . 1 . 2]" 1
308 1 19 CYS H 1 20 TYR QB 1.800 . 6.000 5.218 5.003 5.397 . 0 0 "[ . 1 . 2]" 1
309 1 19 CYS H 1 37 CYS HA 1.800 . 5.500 4.881 4.816 4.942 . 0 0 "[ . 1 . 2]" 1
310 1 19 CYS H 1 38 SER H 1.800 . 6.000 5.031 4.899 5.113 . 0 0 "[ . 1 . 2]" 1
311 1 19 CYS H 1 49 CYS HA 1.800 . 5.000 4.766 4.449 4.894 . 0 0 "[ . 1 . 2]" 1
312 1 19 CYS H 1 49 CYS QB 1.800 . 6.000 4.756 4.337 5.249 . 0 0 "[ . 1 . 2]" 1
313 1 19 CYS H 1 50 CYS H 1.800 . 3.500 3.141 2.855 3.412 . 0 0 "[ . 1 . 2]" 1
314 1 19 CYS H 1 50 CYS HB2 1.800 . 6.000 4.547 3.116 5.206 . 0 0 "[ . 1 . 2]" 1
315 1 19 CYS H 1 50 CYS HB3 1.800 . 6.000 4.367 3.101 5.969 . 0 0 "[ . 1 . 2]" 1
316 1 19 CYS H 1 51 SER H 1.800 . 5.000 4.665 4.049 5.026 0.026 13 0 "[ . 1 . 2]" 1
317 1 19 CYS H 1 51 SER HA 1.800 . 3.500 3.325 2.797 3.554 0.054 18 0 "[ . 1 . 2]" 1
318 1 19 CYS H 1 51 SER HB2 1.800 . 6.000 5.437 3.724 6.036 0.036 7 0 "[ . 1 . 2]" 1
319 1 19 CYS H 1 51 SER HB3 1.800 . 6.000 5.337 3.741 6.020 0.020 1 0 "[ . 1 . 2]" 1
320 1 19 CYS H 1 52 THR H 1.800 . 5.000 4.506 2.698 5.000 . 0 0 "[ . 1 . 2]" 1
321 1 19 CYS HA 1 20 TYR H 1.800 . 3.000 2.248 2.171 2.324 . 0 0 "[ . 1 . 2]" 1
322 1 19 CYS HA 1 20 TYR QB 1.800 . 6.000 4.191 4.065 4.313 . 0 0 "[ . 1 . 2]" 1
323 1 19 CYS HA 1 36 GLY H 1.800 . 5.500 5.125 4.913 5.341 . 0 0 "[ . 1 . 2]" 1
324 1 19 CYS HA 1 37 CYS H 1.800 . 5.500 4.859 4.682 4.983 . 0 0 "[ . 1 . 2]" 1
325 1 19 CYS HA 1 37 CYS HA 1.800 . 3.000 2.179 2.143 2.203 . 0 0 "[ . 1 . 2]" 1
326 1 19 CYS HA 1 37 CYS HB2 1.800 . 5.000 4.563 4.125 4.771 . 0 0 "[ . 1 . 2]" 1
327 1 19 CYS HA 1 37 CYS HB3 1.800 . 5.000 3.131 2.545 3.430 . 0 0 "[ . 1 . 2]" 1
328 1 19 CYS HA 1 38 SER H 1.800 . 3.500 3.502 3.310 3.575 0.075 19 0 "[ . 1 . 2]" 1
329 1 19 CYS HA 1 50 CYS H 1.800 . 6.000 4.572 4.423 4.723 . 0 0 "[ . 1 . 2]" 1
330 1 19 CYS HA 1 56 ASN QB 1.800 . 6.000 5.194 4.029 5.969 . 0 0 "[ . 1 . 2]" 1
331 1 19 CYS QB 1 37 CYS HA 1.800 . 5.000 3.970 3.813 4.151 . 0 0 "[ . 1 . 2]" 1
332 1 19 CYS HB2 1 20 TYR H 1.800 . 4.000 3.953 3.758 4.074 0.074 18 0 "[ . 1 . 2]" 1
333 1 19 CYS HB2 1 50 CYS H 1.800 . 5.000 3.773 3.428 4.880 . 0 0 "[ . 1 . 2]" 1
334 1 19 CYS HB2 1 54 ARG H 1.800 . 6.000 5.696 5.224 6.047 0.047 20 0 "[ . 1 . 2]" 1
335 1 19 CYS HB2 1 55 CYS H 1.800 . 5.500 4.335 3.816 4.765 . 0 0 "[ . 1 . 2]" 1
336 1 19 CYS HB2 1 56 ASN H 1.800 . 4.500 3.908 3.391 4.523 0.023 15 0 "[ . 1 . 2]" 1
337 1 19 CYS HB3 1 20 TYR H 1.800 . 4.000 3.136 2.843 3.696 . 0 0 "[ . 1 . 2]" 1
338 1 19 CYS HB3 1 50 CYS H 1.800 . 5.000 4.703 3.433 5.036 0.036 16 0 "[ . 1 . 2]" 1
339 1 19 CYS HB3 1 54 ARG H 1.800 . 6.000 5.869 5.461 6.025 0.025 13 0 "[ . 1 . 2]" 1
340 1 19 CYS HB3 1 55 CYS H 1.800 . 5.500 4.907 4.321 5.407 . 0 0 "[ . 1 . 2]" 1
341 1 19 CYS HB3 1 56 ASN H 1.800 . 4.500 4.008 3.648 4.467 . 0 0 "[ . 1 . 2]" 1
342 1 20 TYR H 1 20 TYR HA 1.800 . 3.000 2.947 2.930 2.957 . 0 0 "[ . 1 . 2]" 1
343 1 20 TYR H 1 20 TYR HB2 1.800 . 4.000 3.834 3.740 3.917 . 0 0 "[ . 1 . 2]" 1
344 1 20 TYR H 1 20 TYR HB3 1.800 . 4.000 3.033 2.768 3.256 . 0 0 "[ . 1 . 2]" 1
345 1 20 TYR H 1 21 HIS H 1.800 . 5.000 4.433 4.291 4.523 . 0 0 "[ . 1 . 2]" 1
346 1 20 TYR H 1 35 GLN HA 1.800 . 5.000 4.987 4.909 5.048 0.048 6 0 "[ . 1 . 2]" 1
347 1 20 TYR H 1 35 GLN QB 1.800 . 6.000 5.372 4.745 6.035 0.035 9 0 "[ . 1 . 2]" 1
348 1 20 TYR H 1 36 GLY H 1.800 . 3.500 3.339 3.254 3.507 0.007 19 0 "[ . 1 . 2]" 1
349 1 20 TYR H 1 36 GLY QA 1.800 . 5.500 4.315 4.191 4.453 . 0 0 "[ . 1 . 2]" 1
350 1 20 TYR H 1 37 CYS HA 1.800 . 3.000 2.850 2.728 3.030 0.030 14 0 "[ . 1 . 2]" 1
351 1 20 TYR H 1 38 SER H 1.800 . 5.000 4.608 4.251 4.885 . 0 0 "[ . 1 . 2]" 1
352 1 20 TYR H 1 49 CYS HA 1.800 . 6.000 4.619 4.393 4.790 . 0 0 "[ . 1 . 2]" 1
353 1 20 TYR H 1 50 CYS H 1.800 . 6.000 4.648 4.482 4.854 . 0 0 "[ . 1 . 2]" 1
354 1 20 TYR H 1 56 ASN QB 1.800 . 6.000 4.410 3.277 5.034 . 0 0 "[ . 1 . 2]" 1
355 1 20 TYR HA 1 21 HIS H 1.800 . 3.000 2.221 2.122 2.334 . 0 0 "[ . 1 . 2]" 1
356 1 20 TYR HA 1 37 CYS HA 1.800 . 6.000 5.548 5.394 5.664 . 0 0 "[ . 1 . 2]" 1
357 1 20 TYR HA 1 48 LYS H 1.800 . 5.000 4.665 4.472 4.813 . 0 0 "[ . 1 . 2]" 1
358 1 20 TYR HA 1 49 CYS H 1.800 . 6.000 4.525 4.274 4.733 . 0 0 "[ . 1 . 2]" 1
359 1 20 TYR HA 1 49 CYS HA 1.800 . 3.000 2.296 2.130 2.481 . 0 0 "[ . 1 . 2]" 1
360 1 20 TYR HA 1 49 CYS QB 1.800 . 6.000 4.179 3.548 4.526 . 0 0 "[ . 1 . 2]" 1
361 1 20 TYR HA 1 50 CYS H 1.800 . 3.500 3.151 2.866 3.384 . 0 0 "[ . 1 . 2]" 1
362 1 20 TYR HB2 1 21 HIS H 1.800 . 4.000 2.821 2.535 3.067 . 0 0 "[ . 1 . 2]" 1
363 1 20 TYR HB2 1 36 GLY H 1.800 . 6.000 5.064 4.685 5.438 . 0 0 "[ . 1 . 2]" 1
364 1 20 TYR HB2 1 37 CYS HA 1.800 . 6.000 5.925 5.716 6.051 0.051 10 0 "[ . 1 . 2]" 1
365 1 20 TYR HB2 1 49 CYS H 1.800 . 6.000 5.077 4.277 5.489 . 0 0 "[ . 1 . 2]" 1
366 1 20 TYR HB2 1 49 CYS HA 1.800 . 5.000 3.410 2.864 3.737 . 0 0 "[ . 1 . 2]" 1
367 1 20 TYR HB2 1 50 CYS H 1.800 . 6.000 5.085 4.559 5.439 . 0 0 "[ . 1 . 2]" 1
368 1 20 TYR HB3 1 21 HIS H 1.800 . 4.000 4.022 3.863 4.086 0.086 11 0 "[ . 1 . 2]" 1
369 1 20 TYR HB3 1 36 GLY H 1.800 . 6.000 5.173 4.898 5.556 . 0 0 "[ . 1 . 2]" 1
370 1 20 TYR HB3 1 37 CYS HA 1.800 . 6.000 4.597 4.328 4.899 . 0 0 "[ . 1 . 2]" 1
371 1 20 TYR HB3 1 49 CYS H 1.800 . 6.000 5.502 4.653 5.988 . 0 0 "[ . 1 . 2]" 1
372 1 20 TYR HB3 1 49 CYS HA 1.800 . 5.000 3.092 2.392 3.538 . 0 0 "[ . 1 . 2]" 1
373 1 20 TYR HB3 1 50 CYS H 1.800 . 6.000 4.402 3.848 4.828 . 0 0 "[ . 1 . 2]" 1
374 1 21 HIS H 1 21 HIS HA 1.800 . 3.000 2.958 2.945 2.963 . 0 0 "[ . 1 . 2]" 1
375 1 21 HIS H 1 21 HIS HB2 1.800 . 4.000 2.845 2.617 3.167 . 0 0 "[ . 1 . 2]" 1
376 1 21 HIS H 1 21 HIS HB3 1.800 . 4.000 2.904 2.545 3.696 . 0 0 "[ . 1 . 2]" 1
377 1 21 HIS H 1 22 ASN H 1.800 . 5.000 3.906 3.599 4.222 . 0 0 "[ . 1 . 2]" 1
378 1 21 HIS H 1 22 ASN HA 1.800 . 5.000 4.653 4.455 4.795 . 0 0 "[ . 1 . 2]" 1
379 1 21 HIS H 1 22 ASN QB 1.800 . 6.000 5.052 4.781 5.348 . 0 0 "[ . 1 . 2]" 1
380 1 21 HIS H 1 35 GLN HA 1.800 . 6.000 5.046 4.701 5.386 . 0 0 "[ . 1 . 2]" 1
381 1 21 HIS H 1 47 ASN HA 1.800 . 5.000 4.381 4.112 4.594 . 0 0 "[ . 1 . 2]" 1
382 1 21 HIS H 1 47 ASN QB 1.800 . 6.000 5.457 5.056 5.733 . 0 0 "[ . 1 . 2]" 1
383 1 21 HIS H 1 48 LYS H 1.800 . 3.500 3.027 2.779 3.273 . 0 0 "[ . 1 . 2]" 1
384 1 21 HIS H 1 48 LYS HB2 1.800 . 5.000 3.065 2.603 3.458 . 0 0 "[ . 1 . 2]" 1
385 1 21 HIS H 1 48 LYS HB3 1.800 . 5.000 4.497 3.988 4.959 . 0 0 "[ . 1 . 2]" 1
386 1 21 HIS H 1 48 LYS QD 1.800 . 6.000 4.691 3.630 6.002 0.002 8 0 "[ . 1 . 2]" 1
387 1 21 HIS H 1 48 LYS QE 1.800 . 6.000 5.572 4.364 6.005 0.005 8 0 "[ . 1 . 2]" 1
388 1 21 HIS H 1 48 LYS HG2 1.800 . 6.000 5.530 4.802 6.039 0.039 7 0 "[ . 1 . 2]" 1
389 1 21 HIS H 1 48 LYS HG3 1.800 . 6.000 5.047 4.497 5.484 . 0 0 "[ . 1 . 2]" 1
390 1 21 HIS H 1 49 CYS H 1.800 . 6.000 4.811 4.336 5.165 . 0 0 "[ . 1 . 2]" 1
391 1 21 HIS H 1 49 CYS HA 1.800 . 4.000 3.858 3.572 4.009 0.009 1 0 "[ . 1 . 2]" 1
392 1 21 HIS H 1 50 CYS H 1.800 . 5.000 4.954 4.758 5.037 0.037 17 0 "[ . 1 . 2]" 1
393 1 21 HIS H 1 56 ASN HB2 1.800 . 6.000 5.258 4.238 6.010 0.010 6 0 "[ . 1 . 2]" 1
394 1 21 HIS H 1 56 ASN HB3 1.800 . 6.000 5.129 4.023 6.010 0.010 19 0 "[ . 1 . 2]" 1
395 1 21 HIS HA 1 22 ASN H 1.800 . 3.000 2.258 2.157 2.412 . 0 0 "[ . 1 . 2]" 1
396 1 21 HIS HA 1 34 LEU H 1.800 . 5.500 5.365 4.825 5.535 0.035 10 0 "[ . 1 . 2]" 1
397 1 21 HIS HA 1 35 GLN H 1.800 . 6.000 4.865 4.203 5.345 . 0 0 "[ . 1 . 2]" 1
398 1 21 HIS HA 1 36 GLY H 1.800 . 4.500 3.798 3.499 4.080 . 0 0 "[ . 1 . 2]" 1
399 1 21 HIS HA 1 48 LYS H 1.800 . 6.000 4.984 4.672 5.277 . 0 0 "[ . 1 . 2]" 1
400 1 21 HIS QB 1 56 ASN H 1.800 . 6.000 5.240 4.518 6.009 0.009 12 0 "[ . 1 . 2]" 1
401 1 21 HIS HB2 1 22 ASN H 1.800 . 5.000 4.565 3.997 4.678 . 0 0 "[ . 1 . 2]" 1
402 1 21 HIS HB2 1 48 LYS H 1.800 . 5.000 4.827 3.498 5.046 0.046 3 0 "[ . 1 . 2]" 1
403 1 21 HIS HB3 1 22 ASN H 1.800 . 5.000 4.310 3.920 4.472 . 0 0 "[ . 1 . 2]" 1
404 1 21 HIS HB3 1 48 LYS H 1.800 . 5.000 3.920 3.358 5.033 0.033 12 0 "[ . 1 . 2]" 1
405 1 22 ASN H 1 22 ASN HA 1.800 . 3.000 2.884 2.823 2.949 . 0 0 "[ . 1 . 2]" 1
406 1 22 ASN H 1 22 ASN HB2 1.800 . 3.500 2.664 2.121 2.987 . 0 0 "[ . 1 . 2]" 1
407 1 22 ASN H 1 22 ASN HB3 1.800 . 3.500 2.541 2.260 3.435 . 0 0 "[ . 1 . 2]" 1
408 1 22 ASN H 1 23 THR H 1.800 . 5.000 4.507 4.339 4.604 . 0 0 "[ . 1 . 2]" 1
409 1 22 ASN H 1 23 THR MG 1.800 . 6.000 4.946 4.306 5.539 . 0 0 "[ . 1 . 2]" 1
410 1 22 ASN H 1 33 ILE MD 1.800 . 6.000 5.767 4.906 6.024 0.024 8 0 "[ . 1 . 2]" 1
411 1 22 ASN H 1 34 LEU H 1.800 . 4.500 4.217 3.664 4.538 0.038 4 0 "[ . 1 . 2]" 1
412 1 22 ASN H 1 34 LEU HA 1.800 . 5.500 5.348 4.977 5.524 0.024 15 0 "[ . 1 . 2]" 1
413 1 22 ASN H 1 34 LEU QD 1.800 . 6.000 4.979 4.609 5.295 . 0 0 "[ . 1 . 2]" 1
414 1 22 ASN H 1 35 GLN H 1.800 . 6.000 4.429 3.846 5.041 . 0 0 "[ . 1 . 2]" 1
415 1 22 ASN H 1 35 GLN HA 1.800 . 3.500 2.650 2.128 3.133 . 0 0 "[ . 1 . 2]" 1
416 1 22 ASN H 1 35 GLN HB2 1.800 . 6.000 4.726 4.044 5.358 . 0 0 "[ . 1 . 2]" 1
417 1 22 ASN H 1 35 GLN HB3 1.800 . 6.000 4.478 3.127 6.021 0.021 11 0 "[ . 1 . 2]" 1
418 1 22 ASN H 1 35 GLN QG 1.800 . 5.000 4.723 3.845 5.026 0.026 18 0 "[ . 1 . 2]" 1
419 1 22 ASN H 1 36 GLY H 1.800 . 5.000 4.059 3.540 4.580 . 0 0 "[ . 1 . 2]" 1
420 1 22 ASN H 1 48 LYS H 1.800 . 6.000 4.841 4.606 4.989 . 0 0 "[ . 1 . 2]" 1
421 1 22 ASN HA 1 23 THR H 1.800 . 3.000 2.154 2.127 2.213 . 0 0 "[ . 1 . 2]" 1
422 1 22 ASN HA 1 23 THR MG 1.800 . 5.000 3.904 3.071 4.782 . 0 0 "[ . 1 . 2]" 1
423 1 22 ASN HA 1 24 GLY H 1.800 . 4.500 3.523 3.282 3.748 . 0 0 "[ . 1 . 2]" 1
424 1 22 ASN HA 1 34 LEU QB 1.800 . 6.000 4.378 4.131 4.536 . 0 0 "[ . 1 . 2]" 1
425 1 22 ASN HA 1 46 ASN HA 1.800 . 6.000 5.029 4.705 5.401 . 0 0 "[ . 1 . 2]" 1
426 1 22 ASN HA 1 47 ASN H 1.800 . 5.000 4.711 4.548 4.875 . 0 0 "[ . 1 . 2]" 1
427 1 22 ASN HA 1 47 ASN HA 1.800 . 3.000 2.173 2.132 2.230 . 0 0 "[ . 1 . 2]" 1
428 1 22 ASN HA 1 47 ASN HB2 1.800 . 5.000 3.220 2.918 4.430 . 0 0 "[ . 1 . 2]" 1
429 1 22 ASN HA 1 47 ASN HB3 1.800 . 5.000 4.522 3.911 4.699 . 0 0 "[ . 1 . 2]" 1
430 1 22 ASN HA 1 48 LYS H 1.800 . 3.500 3.550 3.518 3.591 0.091 13 0 "[ . 1 . 2]" 1
431 1 22 ASN QB 1 48 LYS H 1.800 . 6.000 4.958 4.718 5.499 . 0 0 "[ . 1 . 2]" 1
432 1 22 ASN HB2 1 23 THR H 1.800 . 5.000 4.220 3.915 4.436 . 0 0 "[ . 1 . 2]" 1
433 1 22 ASN HB2 1 24 GLY H 1.800 . 5.000 4.766 4.418 5.015 0.015 18 0 "[ . 1 . 2]" 1
434 1 22 ASN HB3 1 23 THR H 1.800 . 5.000 4.137 3.231 4.505 . 0 0 "[ . 1 . 2]" 1
435 1 22 ASN HB3 1 24 GLY H 1.800 . 5.000 4.511 3.390 4.825 . 0 0 "[ . 1 . 2]" 1
436 1 23 THR H 1 23 THR HA 1.800 . 3.000 2.949 2.919 2.960 . 0 0 "[ . 1 . 2]" 1
437 1 23 THR H 1 23 THR HB 1.800 . 4.000 3.539 3.026 3.732 . 0 0 "[ . 1 . 2]" 1
438 1 23 THR H 1 23 THR MG 1.800 . 4.000 2.748 1.808 3.651 . 0 0 "[ . 1 . 2]" 1
439 1 23 THR H 1 24 GLY H 1.800 . 4.000 2.013 1.810 2.294 . 0 0 "[ . 1 . 2]" 1
440 1 23 THR H 1 24 GLY QA 1.800 . 5.000 3.916 3.653 4.154 . 0 0 "[ . 1 . 2]" 1
441 1 23 THR H 1 34 LEU QB 1.800 . 6.000 4.852 4.594 5.179 . 0 0 "[ . 1 . 2]" 1
442 1 23 THR H 1 34 LEU MD1 1.800 . 6.000 5.497 4.856 6.003 0.003 13 0 "[ . 1 . 2]" 1
443 1 23 THR H 1 46 ASN H 1.800 . 6.000 5.832 5.591 5.986 . 0 0 "[ . 1 . 2]" 1
444 1 23 THR H 1 46 ASN HA 1.800 . 4.500 3.659 3.337 3.968 . 0 0 "[ . 1 . 2]" 1
445 1 23 THR H 1 46 ASN HB2 1.800 . 6.000 5.355 4.806 5.990 . 0 0 "[ . 1 . 2]" 1
446 1 23 THR H 1 46 ASN HB3 1.800 . 6.000 4.683 3.856 5.402 . 0 0 "[ . 1 . 2]" 1
447 1 23 THR H 1 47 ASN H 1.800 . 6.000 4.884 4.670 5.044 . 0 0 "[ . 1 . 2]" 1
448 1 23 THR H 1 47 ASN HA 1.800 . 3.500 3.383 2.976 3.533 0.033 16 0 "[ . 1 . 2]" 1
449 1 23 THR H 1 47 ASN QB 1.800 . 6.000 4.325 3.869 4.720 . 0 0 "[ . 1 . 2]" 1
450 1 23 THR H 1 48 LYS H 1.800 . 5.000 4.660 4.182 4.986 . 0 0 "[ . 1 . 2]" 1
451 1 23 THR HA 1 24 GLY H 1.800 . 4.000 3.372 3.108 3.502 . 0 0 "[ . 1 . 2]" 1
452 1 23 THR HA 1 34 LEU H 1.800 . 5.500 4.330 3.028 5.294 . 0 0 "[ . 1 . 2]" 1
453 1 23 THR HB 1 24 GLY H 1.800 . 5.000 4.012 3.402 4.574 . 0 0 "[ . 1 . 2]" 1
454 1 23 THR MG 1 24 GLY H 1.800 . 5.500 3.922 2.609 4.400 . 0 0 "[ . 1 . 2]" 1
455 1 23 THR MG 1 48 LYS H 1.800 . 6.000 4.829 3.733 5.630 . 0 0 "[ . 1 . 2]" 1
456 1 24 GLY H 1 24 GLY HA2 1.800 . 3.000 2.511 2.299 2.914 . 0 0 "[ . 1 . 2]" 1
457 1 24 GLY H 1 24 GLY HA3 1.800 . 3.000 2.586 2.303 2.840 . 0 0 "[ . 1 . 2]" 1
458 1 24 GLY H 1 25 MET H 1.800 . 5.000 4.358 3.289 4.649 . 0 0 "[ . 1 . 2]" 1
459 1 24 GLY H 1 34 LEU HB2 1.800 . 6.000 4.909 4.657 5.253 . 0 0 "[ . 1 . 2]" 1
460 1 24 GLY H 1 34 LEU HB3 1.800 . 6.000 5.994 5.876 6.046 0.046 8 0 "[ . 1 . 2]" 1
461 1 24 GLY H 1 34 LEU MD1 1.800 . 6.000 4.726 4.144 5.444 . 0 0 "[ . 1 . 2]" 1
462 1 24 GLY H 1 46 ASN H 1.800 . 6.000 6.003 5.871 6.038 0.038 12 0 "[ . 1 . 2]" 1
463 1 24 GLY H 1 46 ASN HA 1.800 . 6.000 3.808 3.295 4.331 . 0 0 "[ . 1 . 2]" 1
464 1 24 GLY H 1 46 ASN QB 1.800 . 6.000 3.793 3.308 4.327 . 0 0 "[ . 1 . 2]" 1
465 1 24 GLY H 1 47 ASN HB2 1.800 . 6.000 4.942 4.539 5.517 . 0 0 "[ . 1 . 2]" 1
466 1 24 GLY H 1 47 ASN HB3 1.800 . 6.000 5.994 5.795 6.047 0.047 11 0 "[ . 1 . 2]" 1
467 1 24 GLY HA2 1 25 MET H 1.800 . 3.500 2.737 2.151 3.557 0.057 8 0 "[ . 1 . 2]" 1
468 1 24 GLY HA3 1 25 MET H 1.800 . 3.500 2.627 2.154 3.374 . 0 0 "[ . 1 . 2]" 1
469 1 25 MET H 1 25 MET HA 1.800 . 3.000 2.750 2.303 2.959 . 0 0 "[ . 1 . 2]" 1
470 1 25 MET H 1 25 MET HB2 1.800 . 4.000 3.030 2.257 3.935 . 0 0 "[ . 1 . 2]" 1
471 1 25 MET H 1 25 MET HB3 1.800 . 4.000 3.443 2.606 3.999 . 0 0 "[ . 1 . 2]" 1
472 1 25 MET H 1 25 MET HG2 1.800 . 5.000 3.512 1.800 4.848 0.000 11 0 "[ . 1 . 2]" 1
473 1 25 MET H 1 25 MET HG3 1.800 . 5.000 3.395 1.821 4.962 . 0 0 "[ . 1 . 2]" 1
474 1 30 LEU H 1 32 LEU H 1.800 . 6.000 5.049 3.447 5.961 . 0 0 "[ . 1 . 2]" 1
475 1 30 LEU HA 1 32 LEU H 1.800 . 5.500 4.540 3.777 5.502 0.002 7 0 "[ . 1 . 2]" 1
476 1 31 LYS HA 1 32 LEU H 1.800 . 3.000 2.532 2.178 2.950 . 0 0 "[ . 1 . 2]" 1
477 1 32 LEU H 1 32 LEU HA 1.800 . 3.000 2.801 2.312 2.958 . 0 0 "[ . 1 . 2]" 1
478 1 32 LEU H 1 32 LEU HB2 1.800 . 4.000 2.703 2.073 3.724 . 0 0 "[ . 1 . 2]" 1
479 1 32 LEU H 1 32 LEU HB3 1.800 . 4.000 3.578 2.729 4.013 0.013 18 0 "[ . 1 . 2]" 1
480 1 32 LEU H 1 32 LEU MD1 1.800 . 5.500 3.428 1.794 4.242 0.006 7 0 "[ . 1 . 2]" 1
481 1 32 LEU H 1 32 LEU MD2 1.800 . 5.500 3.697 1.795 4.355 0.005 20 0 "[ . 1 . 2]" 1
482 1 32 LEU H 1 32 LEU HG 1.800 . 4.000 2.901 1.855 4.008 0.008 19 0 "[ . 1 . 2]" 1
483 1 32 LEU H 1 33 ILE H 1.800 . 5.000 3.961 2.597 4.640 . 0 0 "[ . 1 . 2]" 1
484 1 32 LEU H 1 34 LEU MD1 1.800 . 6.000 5.290 3.490 6.009 0.009 10 0 "[ . 1 . 2]" 1
485 1 32 LEU HA 1 33 ILE H 1.800 . 3.000 2.475 2.143 3.014 0.014 10 0 "[ . 1 . 2]" 1
486 1 32 LEU HA 1 34 LEU H 1.800 . 6.000 5.705 4.754 6.032 0.032 5 0 "[ . 1 . 2]" 1
487 1 32 LEU QB 1 34 LEU H 1.800 . 6.000 5.166 4.475 5.961 . 0 0 "[ . 1 . 2]" 1
488 1 32 LEU HB2 1 33 ILE H 1.800 . 4.500 3.974 1.856 4.520 0.020 13 0 "[ . 1 . 2]" 1
489 1 32 LEU HB3 1 33 ILE H 1.800 . 4.500 3.546 1.837 4.511 0.011 20 0 "[ . 1 . 2]" 1
490 1 32 LEU MD1 1 33 ILE H 1.800 . 6.000 4.827 3.676 5.618 . 0 0 "[ . 1 . 2]" 1
491 1 32 LEU MD2 1 33 ILE H 1.800 . 6.000 3.982 1.857 5.423 . 0 0 "[ . 1 . 2]" 1
492 1 32 LEU HG 1 33 ILE H 1.800 . 6.000 4.498 3.497 5.131 . 0 0 "[ . 1 . 2]" 1
493 1 33 ILE H 1 33 ILE HA 1.800 . 3.000 2.824 2.300 2.959 . 0 0 "[ . 1 . 2]" 1
494 1 33 ILE H 1 33 ILE HB 1.800 . 3.000 2.609 2.192 3.104 0.104 16 0 "[ . 1 . 2]" 1
495 1 33 ILE H 1 33 ILE MD 1.800 . 5.500 3.881 1.927 4.434 . 0 0 "[ . 1 . 2]" 1
496 1 33 ILE H 1 33 ILE QG 1.800 . 4.000 3.283 2.063 4.044 0.044 19 0 "[ . 1 . 2]" 1
497 1 33 ILE H 1 33 ILE MG 1.800 . 5.000 3.131 1.849 4.036 . 0 0 "[ . 1 . 2]" 1
498 1 33 ILE H 1 34 LEU H 1.800 . 5.000 4.314 3.743 4.579 . 0 0 "[ . 1 . 2]" 1
499 1 33 ILE H 1 34 LEU MD1 1.800 . 5.500 4.593 3.078 5.546 0.046 8 0 "[ . 1 . 2]" 1
500 1 33 ILE H 1 34 LEU HG 1.800 . 6.000 5.006 3.738 5.909 . 0 0 "[ . 1 . 2]" 1
501 1 33 ILE H 1 35 GLN H 1.800 . 6.000 5.784 5.310 6.042 0.042 8 0 "[ . 1 . 2]" 1
502 1 33 ILE HA 1 34 LEU H 1.800 . 3.000 2.171 2.133 2.281 . 0 0 "[ . 1 . 2]" 1
503 1 33 ILE HB 1 34 LEU H 1.800 . 5.000 4.373 4.108 4.591 . 0 0 "[ . 1 . 2]" 1
504 1 33 ILE HB 1 35 GLN H 1.800 . 5.000 4.832 4.253 5.093 0.093 16 0 "[ . 1 . 2]" 1
505 1 33 ILE MD 1 34 LEU H 1.800 . 5.000 3.554 2.626 4.746 . 0 0 "[ . 1 . 2]" 1
506 1 33 ILE MD 1 35 GLN H 1.800 . 6.000 4.030 3.194 5.381 . 0 0 "[ . 1 . 2]" 1
507 1 33 ILE QG 1 34 LEU H 1.800 . 5.000 3.718 2.431 4.750 . 0 0 "[ . 1 . 2]" 1
508 1 33 ILE QG 1 35 GLN H 1.800 . 6.000 4.080 1.989 5.734 . 0 0 "[ . 1 . 2]" 1
509 1 33 ILE MG 1 34 LEU H 1.800 . 5.000 3.212 2.175 4.119 . 0 0 "[ . 1 . 2]" 1
510 1 33 ILE MG 1 35 GLN H 1.800 . 5.000 2.777 2.047 4.475 . 0 0 "[ . 1 . 2]" 1
511 1 34 LEU H 1 34 LEU HA 1.800 . 3.000 2.952 2.931 2.960 . 0 0 "[ . 1 . 2]" 1
512 1 34 LEU H 1 34 LEU HB2 1.800 . 4.000 2.508 2.263 2.698 . 0 0 "[ . 1 . 2]" 1
513 1 34 LEU H 1 34 LEU HB3 1.800 . 4.000 3.606 3.413 3.761 . 0 0 "[ . 1 . 2]" 1
514 1 34 LEU H 1 34 LEU QD 1.800 . 6.000 3.373 2.529 3.930 . 0 0 "[ . 1 . 2]" 1
515 1 34 LEU H 1 34 LEU HG 1.800 . 5.000 3.759 3.193 4.371 . 0 0 "[ . 1 . 2]" 1
516 1 34 LEU H 1 35 GLN H 1.800 . 4.500 2.876 2.199 3.632 . 0 0 "[ . 1 . 2]" 1
517 1 34 LEU H 1 35 GLN HA 1.800 . 5.500 4.427 4.031 4.877 . 0 0 "[ . 1 . 2]" 1
518 1 34 LEU HA 1 35 GLN H 1.800 . 3.000 2.718 2.375 3.039 0.039 20 0 "[ . 1 . 2]" 1
519 1 34 LEU HA 1 36 GLY H 1.800 . 6.000 5.954 5.770 6.053 0.053 14 0 "[ . 1 . 2]" 1
520 1 34 LEU HB2 1 35 GLN H 1.800 . 5.000 4.353 3.964 4.637 . 0 0 "[ . 1 . 2]" 1
521 1 34 LEU HB3 1 35 GLN H 1.800 . 5.000 4.308 4.192 4.391 . 0 0 "[ . 1 . 2]" 1
522 1 34 LEU QD 1 35 GLN H 1.800 . 6.000 4.340 3.814 4.543 . 0 0 "[ . 1 . 2]" 1
523 1 34 LEU HG 1 35 GLN H 1.800 . 6.000 4.771 4.583 5.111 . 0 0 "[ . 1 . 2]" 1
524 1 35 GLN H 1 35 GLN HA 1.800 . 3.000 2.879 2.689 2.958 . 0 0 "[ . 1 . 2]" 1
525 1 35 GLN H 1 35 GLN HB2 1.800 . 4.000 3.180 2.172 3.654 . 0 0 "[ . 1 . 2]" 1
526 1 35 GLN H 1 35 GLN HB3 1.800 . 3.000 2.833 2.402 3.073 0.073 12 0 "[ . 1 . 2]" 1
527 1 35 GLN H 1 35 GLN QG 1.800 . 4.000 2.599 1.779 4.090 0.090 11 0 "[ . 1 . 2]" 1
528 1 35 GLN H 1 36 GLY H 1.800 . 5.000 4.543 4.342 4.598 . 0 0 "[ . 1 . 2]" 1
529 1 35 GLN HA 1 36 GLY H 1.800 . 3.000 2.177 2.143 2.211 . 0 0 "[ . 1 . 2]" 1
530 1 35 GLN HB2 1 36 GLY H 1.800 . 4.500 3.569 3.008 4.432 . 0 0 "[ . 1 . 2]" 1
531 1 35 GLN HB3 1 36 GLY H 1.800 . 4.500 3.938 3.501 4.213 . 0 0 "[ . 1 . 2]" 1
532 1 35 GLN QG 1 36 GLY H 1.800 . 5.000 3.717 2.489 4.702 . 0 0 "[ . 1 . 2]" 1
533 1 36 GLY H 1 37 CYS H 1.800 . 5.000 4.346 4.238 4.382 . 0 0 "[ . 1 . 2]" 1
534 1 36 GLY H 1 37 CYS HA 1.800 . 5.000 4.614 4.523 4.670 . 0 0 "[ . 1 . 2]" 1
535 1 36 GLY H 1 56 ASN HB2 1.800 . 6.000 5.191 3.398 6.021 0.021 17 0 "[ . 1 . 2]" 1
536 1 36 GLY H 1 56 ASN HB3 1.800 . 6.000 5.320 4.211 5.989 . 0 0 "[ . 1 . 2]" 1
537 1 36 GLY QA 1 37 CYS H 1.800 . 3.000 2.284 2.220 2.311 . 0 0 "[ . 1 . 2]" 1
538 1 37 CYS H 1 37 CYS HA 1.800 . 3.000 2.951 2.936 2.960 . 0 0 "[ . 1 . 2]" 1
539 1 37 CYS H 1 37 CYS HB2 1.800 . 4.000 3.063 2.931 3.216 . 0 0 "[ . 1 . 2]" 1
540 1 37 CYS H 1 37 CYS HB3 1.800 . 4.000 3.689 3.610 3.803 . 0 0 "[ . 1 . 2]" 1
541 1 37 CYS H 1 38 SER H 1.800 . 5.000 4.522 4.473 4.555 . 0 0 "[ . 1 . 2]" 1
542 1 37 CYS H 1 38 SER QB 1.800 . 6.000 4.810 4.573 5.044 . 0 0 "[ . 1 . 2]" 1
543 1 37 CYS HA 1 38 SER H 1.800 . 3.000 2.399 2.347 2.467 . 0 0 "[ . 1 . 2]" 1
544 1 37 CYS HA 1 38 SER HA 1.800 . 5.000 4.560 4.523 4.597 . 0 0 "[ . 1 . 2]" 1
545 1 37 CYS HA 1 38 SER HB2 1.800 . 5.000 4.133 3.922 4.434 . 0 0 "[ . 1 . 2]" 1
546 1 37 CYS HA 1 38 SER HB3 1.800 . 5.000 4.671 4.307 4.966 . 0 0 "[ . 1 . 2]" 1
547 1 37 CYS HB2 1 38 SER H 1.800 . 3.000 3.003 2.902 3.053 0.053 13 0 "[ . 1 . 2]" 1
548 1 37 CYS HB3 1 38 SER H 1.800 . 3.000 2.789 2.581 3.021 0.021 15 0 "[ . 1 . 2]" 1
549 1 38 SER H 1 38 SER HA 1.800 . 3.000 2.866 2.836 2.896 . 0 0 "[ . 1 . 2]" 1
550 1 38 SER H 1 38 SER HB2 1.800 . 3.500 3.300 3.061 3.521 0.021 3 0 "[ . 1 . 2]" 1
551 1 38 SER H 1 38 SER HB3 1.800 . 3.500 3.217 2.929 3.392 . 0 0 "[ . 1 . 2]" 1
552 1 38 SER H 1 39 SER H 1.800 . 5.000 4.270 4.030 4.382 . 0 0 "[ . 1 . 2]" 1
553 1 38 SER H 1 39 SER HA 1.800 . 5.000 4.626 4.477 4.776 . 0 0 "[ . 1 . 2]" 1
554 1 38 SER H 1 41 CYS QB 1.800 . 6.000 4.219 3.797 4.686 . 0 0 "[ . 1 . 2]" 1
555 1 38 SER HA 1 39 SER H 1.800 . 3.000 2.304 2.148 2.479 . 0 0 "[ . 1 . 2]" 1
556 1 38 SER HB2 1 39 SER H 1.800 . 4.500 4.076 3.649 4.425 . 0 0 "[ . 1 . 2]" 1
557 1 38 SER HB3 1 39 SER H 1.800 . 4.500 3.586 3.010 4.024 . 0 0 "[ . 1 . 2]" 1
558 1 39 SER H 1 39 SER HA 1.800 . 3.000 2.890 2.828 2.945 . 0 0 "[ . 1 . 2]" 1
559 1 39 SER H 1 39 SER HB2 1.800 . 3.500 2.914 2.120 3.414 . 0 0 "[ . 1 . 2]" 1
560 1 39 SER H 1 39 SER HB3 1.800 . 3.500 2.990 2.087 3.532 0.032 14 0 "[ . 1 . 2]" 1
561 1 39 SER HA 1 41 CYS H 1.800 . 6.000 4.470 3.648 5.310 . 0 0 "[ . 1 . 2]" 1
562 1 40 SER HA 1 41 CYS H 1.800 . 3.000 2.583 2.247 2.898 . 0 0 "[ . 1 . 2]" 1
563 1 41 CYS H 1 41 CYS HA 1.800 . 3.000 2.791 2.653 2.913 . 0 0 "[ . 1 . 2]" 1
564 1 41 CYS H 1 41 CYS HB2 1.800 . 3.000 2.592 2.332 3.024 0.024 12 0 "[ . 1 . 2]" 1
565 1 41 CYS H 1 41 CYS HB3 1.800 . 3.000 2.536 2.181 2.909 . 0 0 "[ . 1 . 2]" 1
566 1 41 CYS H 1 42 SER H 1.800 . 5.000 4.585 4.460 4.649 . 0 0 "[ . 1 . 2]" 1
567 1 41 CYS H 1 42 SER HA 1.800 . 6.000 5.505 5.249 5.723 . 0 0 "[ . 1 . 2]" 1
568 1 41 CYS H 1 43 GLU H 1.800 . 6.000 5.939 5.686 6.018 0.018 16 0 "[ . 1 . 2]" 1
569 1 41 CYS HA 1 42 SER H 1.800 . 3.000 2.264 2.143 2.508 . 0 0 "[ . 1 . 2]" 1
570 1 41 CYS HB2 1 42 SER H 1.800 . 4.500 3.994 3.156 4.350 . 0 0 "[ . 1 . 2]" 1
571 1 41 CYS HB2 1 43 GLU H 1.800 . 6.000 5.696 4.571 6.017 0.017 15 0 "[ . 1 . 2]" 1
572 1 41 CYS HB2 1 50 CYS H 1.800 . 6.000 5.356 4.471 6.004 0.004 13 0 "[ . 1 . 2]" 1
573 1 41 CYS HB3 1 42 SER H 1.800 . 4.500 3.957 3.373 4.363 . 0 0 "[ . 1 . 2]" 1
574 1 41 CYS HB3 1 43 GLU H 1.800 . 6.000 4.422 4.056 4.796 . 0 0 "[ . 1 . 2]" 1
575 1 41 CYS HB3 1 50 CYS H 1.800 . 6.000 5.137 4.387 5.979 . 0 0 "[ . 1 . 2]" 1
576 1 42 SER H 1 42 SER HA 1.800 . 3.000 2.942 2.883 2.960 . 0 0 "[ . 1 . 2]" 1
577 1 42 SER H 1 42 SER HB2 1.800 . 3.500 2.692 2.150 3.522 0.022 11 0 "[ . 1 . 2]" 1
578 1 42 SER H 1 42 SER HB3 1.800 . 3.500 3.037 2.178 3.489 . 0 0 "[ . 1 . 2]" 1
579 1 42 SER H 1 43 GLU H 1.800 . 4.500 3.846 2.900 4.118 . 0 0 "[ . 1 . 2]" 1
580 1 42 SER HA 1 43 GLU H 1.800 . 3.000 2.313 2.231 2.592 . 0 0 "[ . 1 . 2]" 1
581 1 42 SER HB2 1 43 GLU H 1.800 . 5.000 4.570 4.004 4.681 . 0 0 "[ . 1 . 2]" 1
582 1 42 SER HB3 1 43 GLU H 1.800 . 5.000 4.306 4.031 4.633 . 0 0 "[ . 1 . 2]" 1
583 1 43 GLU H 1 43 GLU HA 1.800 . 3.000 2.733 2.642 2.808 . 0 0 "[ . 1 . 2]" 1
584 1 43 GLU H 1 43 GLU HB2 1.800 . 4.000 2.447 2.173 2.941 . 0 0 "[ . 1 . 2]" 1
585 1 43 GLU H 1 43 GLU HB3 1.800 . 4.000 3.044 2.473 3.633 . 0 0 "[ . 1 . 2]" 1
586 1 43 GLU H 1 43 GLU HG2 1.800 . 4.500 3.929 1.987 4.535 0.035 1 0 "[ . 1 . 2]" 1
587 1 43 GLU H 1 43 GLU HG3 1.800 . 4.500 3.731 1.784 4.515 0.016 15 0 "[ . 1 . 2]" 1
588 1 43 GLU H 1 44 THR H 1.800 . 5.000 4.494 4.229 4.624 . 0 0 "[ . 1 . 2]" 1
589 1 43 GLU H 1 44 THR MG 1.800 . 6.000 5.143 4.187 5.996 . 0 0 "[ . 1 . 2]" 1
590 1 43 GLU H 1 49 CYS H 1.800 . 6.000 5.159 4.456 5.809 . 0 0 "[ . 1 . 2]" 1
591 1 43 GLU HA 1 44 THR H 1.800 . 3.000 2.171 2.143 2.239 . 0 0 "[ . 1 . 2]" 1
592 1 43 GLU HA 1 47 ASN H 1.800 . 6.000 5.411 4.935 5.705 . 0 0 "[ . 1 . 2]" 1
593 1 43 GLU HA 1 49 CYS H 1.800 . 4.000 3.242 2.688 3.819 . 0 0 "[ . 1 . 2]" 1
594 1 43 GLU HB2 1 44 THR H 1.800 . 4.500 4.314 3.827 4.515 0.015 20 0 "[ . 1 . 2]" 1
595 1 43 GLU HB2 1 49 CYS H 1.800 . 5.500 4.214 3.050 5.513 0.013 15 0 "[ . 1 . 2]" 1
596 1 43 GLU HB3 1 44 THR H 1.800 . 4.500 3.915 3.011 4.325 . 0 0 "[ . 1 . 2]" 1
597 1 43 GLU HB3 1 49 CYS H 1.800 . 5.500 4.656 3.151 5.348 . 0 0 "[ . 1 . 2]" 1
598 1 43 GLU HG2 1 44 THR H 1.800 . 6.000 3.450 2.098 5.663 . 0 0 "[ . 1 . 2]" 1
599 1 43 GLU HG2 1 49 CYS H 1.800 . 4.500 3.462 2.228 4.515 0.015 15 0 "[ . 1 . 2]" 1
600 1 43 GLU HG3 1 44 THR H 1.800 . 6.000 4.158 2.871 5.592 . 0 0 "[ . 1 . 2]" 1
601 1 43 GLU HG3 1 49 CYS H 1.800 . 4.500 3.066 1.880 4.461 . 0 0 "[ . 1 . 2]" 1
602 1 44 THR H 1 44 THR HA 1.800 . 3.000 2.905 2.818 2.953 . 0 0 "[ . 1 . 2]" 1
603 1 44 THR H 1 44 THR MG 1.800 . 4.500 3.707 3.148 4.016 . 0 0 "[ . 1 . 2]" 1
604 1 44 THR H 1 45 GLU H 1.800 . 5.000 4.324 4.118 4.428 . 0 0 "[ . 1 . 2]" 1
605 1 44 THR H 1 46 ASN H 1.800 . 5.000 4.790 4.350 5.005 0.005 16 0 "[ . 1 . 2]" 1
606 1 44 THR H 1 47 ASN H 1.800 . 4.000 3.563 3.199 3.854 . 0 0 "[ . 1 . 2]" 1
607 1 44 THR H 1 47 ASN HA 1.800 . 6.000 4.700 4.513 4.897 . 0 0 "[ . 1 . 2]" 1
608 1 44 THR H 1 47 ASN HB2 1.800 . 5.500 5.385 4.358 5.512 0.012 17 0 "[ . 1 . 2]" 1
609 1 44 THR H 1 47 ASN HB3 1.800 . 5.500 4.199 3.997 4.436 . 0 0 "[ . 1 . 2]" 1
610 1 44 THR H 1 48 LYS HA 1.800 . 4.000 2.408 1.989 2.819 . 0 0 "[ . 1 . 2]" 1
611 1 44 THR H 1 49 CYS H 1.800 . 5.000 4.358 3.934 4.689 . 0 0 "[ . 1 . 2]" 1
612 1 44 THR HA 1 45 GLU H 1.800 . 3.000 2.489 2.200 3.000 . 0 0 "[ . 1 . 2]" 1
613 1 44 THR HA 1 47 ASN H 1.800 . 5.000 4.452 4.152 4.925 . 0 0 "[ . 1 . 2]" 1
614 1 44 THR HB 1 45 GLU H 1.800 . 3.500 2.590 1.816 3.467 . 0 0 "[ . 1 . 2]" 1
615 1 44 THR MG 1 45 GLU H 1.800 . 5.000 2.729 1.814 3.513 . 0 0 "[ . 1 . 2]" 1
616 1 44 THR MG 1 46 ASN H 1.800 . 5.000 3.727 3.007 4.332 . 0 0 "[ . 1 . 2]" 1
617 1 44 THR MG 1 47 ASN H 1.800 . 5.000 3.979 3.480 4.242 . 0 0 "[ . 1 . 2]" 1
618 1 45 GLU H 1 45 GLU HA 1.800 . 3.000 2.813 2.691 2.929 . 0 0 "[ . 1 . 2]" 1
619 1 45 GLU H 1 45 GLU QB 1.800 . 3.500 2.342 2.063 2.874 . 0 0 "[ . 1 . 2]" 1
620 1 45 GLU H 1 45 GLU QG 1.800 . 5.000 2.938 1.831 4.055 . 0 0 "[ . 1 . 2]" 1
621 1 45 GLU H 1 46 ASN H 1.800 . 3.000 2.634 2.264 2.930 . 0 0 "[ . 1 . 2]" 1
622 1 45 GLU H 1 46 ASN HA 1.800 . 5.500 5.275 4.972 5.501 0.001 6 0 "[ . 1 . 2]" 1
623 1 45 GLU H 1 47 ASN H 1.800 . 5.000 3.948 3.397 4.393 . 0 0 "[ . 1 . 2]" 1
624 1 45 GLU HA 1 46 ASN H 1.800 . 4.000 3.510 3.437 3.553 . 0 0 "[ . 1 . 2]" 1
625 1 45 GLU HA 1 47 ASN H 1.800 . 5.000 4.581 3.965 4.952 . 0 0 "[ . 1 . 2]" 1
626 1 45 GLU HA 1 48 LYS HG2 1.800 . 5.000 4.406 3.800 5.041 0.041 1 0 "[ . 1 . 2]" 1
627 1 45 GLU HA 1 48 LYS HG3 1.800 . 5.000 4.448 3.829 5.028 0.028 15 0 "[ . 1 . 2]" 1
628 1 45 GLU QB 1 46 ASN H 1.800 . 4.500 2.885 2.542 3.645 . 0 0 "[ . 1 . 2]" 1
629 1 45 GLU HB2 1 47 ASN H 1.800 . 6.000 5.343 4.698 5.972 . 0 0 "[ . 1 . 2]" 1
630 1 45 GLU HB3 1 47 ASN H 1.800 . 6.000 5.423 4.801 5.930 . 0 0 "[ . 1 . 2]" 1
631 1 45 GLU QG 1 46 ASN H 1.800 . 5.000 3.762 1.779 4.606 0.021 12 0 "[ . 1 . 2]" 1
632 1 46 ASN H 1 46 ASN HA 1.800 . 3.000 2.916 2.861 2.955 . 0 0 "[ . 1 . 2]" 1
633 1 46 ASN H 1 46 ASN HB2 1.800 . 3.000 2.534 2.225 3.014 0.014 7 0 "[ . 1 . 2]" 1
634 1 46 ASN H 1 46 ASN HB3 1.800 . 3.000 2.743 2.199 3.036 0.036 12 0 "[ . 1 . 2]" 1
635 1 46 ASN H 1 47 ASN H 1.800 . 3.000 2.274 1.943 2.561 . 0 0 "[ . 1 . 2]" 1
636 1 46 ASN H 1 47 ASN HB2 1.800 . 6.000 5.371 4.595 5.826 . 0 0 "[ . 1 . 2]" 1
637 1 46 ASN H 1 47 ASN HB3 1.800 . 6.000 4.594 4.062 5.918 . 0 0 "[ . 1 . 2]" 1
638 1 46 ASN H 1 48 LYS H 1.800 . 6.000 5.896 5.468 6.024 0.024 13 0 "[ . 1 . 2]" 1
639 1 46 ASN H 1 48 LYS QD 1.800 . 6.000 5.754 4.985 6.025 0.025 9 0 "[ . 1 . 2]" 1
640 1 46 ASN HA 1 47 ASN H 1.800 . 4.000 3.502 3.359 3.559 . 0 0 "[ . 1 . 2]" 1
641 1 46 ASN HB2 1 47 ASN H 1.800 . 4.000 3.728 3.305 4.011 0.011 18 0 "[ . 1 . 2]" 1
642 1 46 ASN HB3 1 47 ASN H 1.800 . 4.000 2.856 2.537 3.447 . 0 0 "[ . 1 . 2]" 1
643 1 47 ASN H 1 47 ASN HA 1.800 . 3.000 2.949 2.892 2.959 . 0 0 "[ . 1 . 2]" 1
644 1 47 ASN H 1 47 ASN HB2 1.800 . 3.500 3.361 2.383 3.532 0.032 2 0 "[ . 1 . 2]" 1
645 1 47 ASN H 1 47 ASN HB3 1.800 . 3.500 2.592 2.315 3.567 0.067 11 0 "[ . 1 . 2]" 1
646 1 47 ASN H 1 48 LYS H 1.800 . 5.000 4.080 3.865 4.249 . 0 0 "[ . 1 . 2]" 1
647 1 47 ASN H 1 48 LYS HA 1.800 . 5.000 4.691 4.470 4.877 . 0 0 "[ . 1 . 2]" 1
648 1 47 ASN HA 1 48 LYS H 1.800 . 3.000 2.161 2.129 2.224 . 0 0 "[ . 1 . 2]" 1
649 1 47 ASN HB2 1 48 LYS H 1.800 . 5.000 4.271 4.121 4.495 . 0 0 "[ . 1 . 2]" 1
650 1 47 ASN HB3 1 48 LYS H 1.800 . 5.000 4.475 3.623 4.620 . 0 0 "[ . 1 . 2]" 1
651 1 48 LYS H 1 48 LYS HA 1.800 . 3.000 2.931 2.884 2.959 . 0 0 "[ . 1 . 2]" 1
652 1 48 LYS H 1 48 LYS HB2 1.800 . 4.000 2.567 2.385 2.798 . 0 0 "[ . 1 . 2]" 1
653 1 48 LYS H 1 48 LYS HB3 1.800 . 4.000 3.666 3.600 3.741 . 0 0 "[ . 1 . 2]" 1
654 1 48 LYS H 1 48 LYS HD2 1.800 . 5.000 3.448 1.792 4.972 0.008 6 0 "[ . 1 . 2]" 1
655 1 48 LYS H 1 48 LYS HD3 1.800 . 5.000 3.941 2.778 5.001 0.001 9 0 "[ . 1 . 2]" 1
656 1 48 LYS H 1 48 LYS HG2 1.800 . 4.000 3.430 2.298 4.026 0.026 16 0 "[ . 1 . 2]" 1
657 1 48 LYS H 1 48 LYS HG3 1.800 . 4.000 2.824 2.309 3.481 . 0 0 "[ . 1 . 2]" 1
658 1 48 LYS H 1 49 CYS H 1.800 . 5.000 4.527 4.426 4.626 . 0 0 "[ . 1 . 2]" 1
659 1 48 LYS HA 1 49 CYS H 1.800 . 3.000 2.448 2.169 2.736 . 0 0 "[ . 1 . 2]" 1
660 1 48 LYS HB2 1 49 CYS H 1.800 . 4.000 3.459 2.973 4.025 0.025 8 0 "[ . 1 . 2]" 1
661 1 48 LYS HB3 1 49 CYS H 1.800 . 4.000 2.442 1.888 3.235 . 0 0 "[ . 1 . 2]" 1
662 1 48 LYS HD2 1 49 CYS H 1.800 . 6.000 5.005 3.050 6.015 0.015 7 0 "[ . 1 . 2]" 1
663 1 48 LYS HD3 1 49 CYS H 1.800 . 6.000 5.448 4.741 6.021 0.021 18 0 "[ . 1 . 2]" 1
664 1 48 LYS HG2 1 49 CYS H 1.800 . 6.000 4.433 3.891 5.138 . 0 0 "[ . 1 . 2]" 1
665 1 48 LYS HG3 1 49 CYS H 1.800 . 6.000 4.691 4.082 5.502 . 0 0 "[ . 1 . 2]" 1
666 1 49 CYS H 1 49 CYS HA 1.800 . 3.000 2.941 2.913 2.964 . 0 0 "[ . 1 . 2]" 1
667 1 49 CYS H 1 50 CYS H 1.800 . 5.000 4.287 4.120 4.520 . 0 0 "[ . 1 . 2]" 1
668 1 49 CYS HA 1 50 CYS H 1.800 . 3.000 2.161 2.131 2.203 . 0 0 "[ . 1 . 2]" 1
669 1 49 CYS HA 1 50 CYS HA 1.800 . 5.000 4.410 4.383 4.445 . 0 0 "[ . 1 . 2]" 1
670 1 49 CYS QB 1 50 CYS H 1.800 . 4.500 3.124 2.970 3.324 . 0 0 "[ . 1 . 2]" 1
671 1 50 CYS H 1 50 CYS HA 1.800 . 3.000 2.951 2.933 2.960 . 0 0 "[ . 1 . 2]" 1
672 1 50 CYS H 1 50 CYS HB2 1.800 . 4.000 3.088 2.220 3.926 . 0 0 "[ . 1 . 2]" 1
673 1 50 CYS H 1 50 CYS HB3 1.800 . 4.000 3.164 2.472 3.534 . 0 0 "[ . 1 . 2]" 1
674 1 50 CYS H 1 51 SER H 1.800 . 5.000 4.420 4.256 4.508 . 0 0 "[ . 1 . 2]" 1
675 1 50 CYS H 1 51 SER HA 1.800 . 6.000 4.893 4.673 5.042 . 0 0 "[ . 1 . 2]" 1
676 1 50 CYS H 1 56 ASN QB 1.800 . 6.000 5.637 4.816 6.037 0.037 20 0 "[ . 1 . 2]" 1
677 1 50 CYS HA 1 51 SER H 1.800 . 3.000 2.510 2.174 2.774 . 0 0 "[ . 1 . 2]" 1
678 1 50 CYS HA 1 52 THR H 1.800 . 4.500 4.297 3.997 4.526 0.026 17 0 "[ . 1 . 2]" 1
679 1 50 CYS HB2 1 51 SER H 1.800 . 4.000 3.230 1.856 4.059 0.059 12 0 "[ . 1 . 2]" 1
680 1 50 CYS HB2 1 52 THR H 1.800 . 4.500 3.636 2.485 4.548 0.048 9 0 "[ . 1 . 2]" 1
681 1 50 CYS HB2 1 55 CYS H 1.800 . 6.000 5.221 4.643 5.966 . 0 0 "[ . 1 . 2]" 1
682 1 50 CYS HB3 1 51 SER H 1.800 . 4.000 3.104 1.822 4.033 0.033 7 0 "[ . 1 . 2]" 1
683 1 50 CYS HB3 1 52 THR H 1.800 . 4.500 3.452 2.304 4.510 0.010 11 0 "[ . 1 . 2]" 1
684 1 50 CYS HB3 1 55 CYS H 1.800 . 6.000 5.101 4.171 6.089 0.089 19 0 "[ . 1 . 2]" 1
685 1 51 SER H 1 51 SER HA 1.800 . 3.000 2.929 2.863 2.958 . 0 0 "[ . 1 . 2]" 1
686 1 51 SER H 1 51 SER HB2 1.800 . 4.000 3.416 2.578 3.988 . 0 0 "[ . 1 . 2]" 1
687 1 51 SER H 1 51 SER HB3 1.800 . 4.000 3.275 2.461 3.921 . 0 0 "[ . 1 . 2]" 1
688 1 51 SER H 1 52 THR H 1.800 . 3.000 2.258 1.823 2.931 . 0 0 "[ . 1 . 2]" 1
689 1 51 SER H 1 52 THR HB 1.800 . 5.500 4.417 3.751 5.264 . 0 0 "[ . 1 . 2]" 1
690 1 51 SER H 1 52 THR MG 1.800 . 6.000 4.913 4.703 5.074 . 0 0 "[ . 1 . 2]" 1
691 1 51 SER H 1 55 CYS QB 1.800 . 5.500 3.843 2.519 4.670 . 0 0 "[ . 1 . 2]" 1
692 1 51 SER HA 1 52 THR H 1.800 . 3.000 2.939 2.788 3.024 0.024 18 0 "[ . 1 . 2]" 1
693 1 51 SER HB2 1 52 THR H 1.800 . 5.000 4.418 4.070 4.673 . 0 0 "[ . 1 . 2]" 1
694 1 51 SER HB3 1 52 THR H 1.800 . 5.000 4.398 4.069 4.681 . 0 0 "[ . 1 . 2]" 1
695 1 52 THR H 1 52 THR HA 1.800 . 3.000 2.920 2.298 2.960 . 0 0 "[ . 1 . 2]" 1
696 1 52 THR H 1 52 THR HB 1.800 . 3.000 2.945 2.687 3.159 0.159 17 0 "[ . 1 . 2]" 1
697 1 52 THR H 1 52 THR MG 1.800 . 6.000 3.883 3.777 3.986 . 0 0 "[ . 1 . 2]" 1
698 1 52 THR H 1 55 CYS H 1.800 . 5.000 4.500 4.182 4.879 . 0 0 "[ . 1 . 2]" 1
699 1 52 THR H 1 55 CYS HA 1.800 . 6.000 5.284 4.813 6.021 0.021 17 0 "[ . 1 . 2]" 1
700 1 52 THR H 1 55 CYS HB2 1.800 . 4.500 3.412 2.558 4.309 . 0 0 "[ . 1 . 2]" 1
701 1 52 THR H 1 55 CYS HB3 1.800 . 4.500 3.266 2.478 4.017 . 0 0 "[ . 1 . 2]" 1
702 1 52 THR HA 1 53 ASP H 1.800 . 3.000 2.664 2.229 3.031 0.031 2 0 "[ . 1 . 2]" 1
703 1 52 THR HA 1 55 CYS H 1.800 . 6.000 5.695 3.957 6.026 0.026 6 0 "[ . 1 . 2]" 1
704 1 52 THR HB 1 53 ASP H 1.800 . 4.000 3.478 2.052 4.024 0.024 9 0 "[ . 1 . 2]" 1
705 1 52 THR MG 1 55 CYS H 1.800 . 6.000 5.144 4.499 5.793 . 0 0 "[ . 1 . 2]" 1
706 1 53 ASP H 1 53 ASP HA 1.800 . 3.000 2.651 2.296 2.955 . 0 0 "[ . 1 . 2]" 1
707 1 53 ASP H 1 54 ARG H 1.800 . 5.000 4.383 2.695 4.605 . 0 0 "[ . 1 . 2]" 1
708 1 53 ASP H 1 55 CYS H 1.800 . 5.000 4.393 3.660 5.026 0.026 18 0 "[ . 1 . 2]" 1
709 1 53 ASP HA 1 54 ARG H 1.800 . 3.000 2.250 2.136 2.529 . 0 0 "[ . 1 . 2]" 1
710 1 53 ASP HA 1 55 CYS H 1.800 . 4.000 3.509 3.106 3.944 . 0 0 "[ . 1 . 2]" 1
711 1 53 ASP QB 1 55 CYS H 1.800 . 6.000 4.529 3.357 5.082 . 0 0 "[ . 1 . 2]" 1
712 1 54 ARG H 1 54 ARG HA 1.800 . 3.000 2.323 2.295 2.354 . 0 0 "[ . 1 . 2]" 1
713 1 54 ARG H 1 55 CYS H 1.800 . 3.500 2.792 2.234 3.060 . 0 0 "[ . 1 . 2]" 1
714 1 54 ARG H 1 55 CYS HA 1.800 . 6.000 5.304 4.909 5.469 . 0 0 "[ . 1 . 2]" 1
715 1 54 ARG H 1 56 ASN H 1.800 . 5.000 4.572 4.152 4.928 . 0 0 "[ . 1 . 2]" 1
716 1 54 ARG HA 1 55 CYS H 1.800 . 3.500 2.925 2.729 3.056 . 0 0 "[ . 1 . 2]" 1
717 1 55 CYS H 1 55 CYS HA 1.800 . 3.000 2.879 2.783 2.951 . 0 0 "[ . 1 . 2]" 1
718 1 55 CYS H 1 55 CYS HB2 1.800 . 4.000 3.003 2.083 3.614 . 0 0 "[ . 1 . 2]" 1
719 1 55 CYS H 1 55 CYS HB3 1.800 . 4.000 2.700 2.273 3.333 . 0 0 "[ . 1 . 2]" 1
720 1 55 CYS H 1 56 ASN H 1.800 . 3.500 2.489 2.252 2.980 . 0 0 "[ . 1 . 2]" 1
721 1 55 CYS H 1 56 ASN HB2 1.800 . 6.000 5.682 4.442 6.039 0.039 6 0 "[ . 1 . 2]" 1
722 1 55 CYS H 1 56 ASN HB3 1.800 . 6.000 5.091 4.198 6.019 0.019 4 0 "[ . 1 . 2]" 1
723 1 55 CYS HA 1 56 ASN H 1.800 . 4.000 3.495 3.242 3.579 . 0 0 "[ . 1 . 2]" 1
724 1 55 CYS HB2 1 56 ASN H 1.800 . 4.500 3.760 2.922 4.468 . 0 0 "[ . 1 . 2]" 1
725 1 55 CYS HB3 1 56 ASN H 1.800 . 4.500 3.325 2.107 4.373 . 0 0 "[ . 1 . 2]" 1
726 1 56 ASN H 1 56 ASN HA 1.800 . 3.000 2.842 2.647 2.931 . 0 0 "[ . 1 . 2]" 1
727 1 56 ASN H 1 56 ASN HB2 1.800 . 4.000 3.276 2.078 3.661 . 0 0 "[ . 1 . 2]" 1
728 1 56 ASN H 1 56 ASN HB3 1.800 . 4.000 2.796 2.226 3.623 . 0 0 "[ . 1 . 2]" 1
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