NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
515192 |
2kwf   |
16851 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kwf
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 739
_Distance_constraint_stats_list.Viol_count 1546
_Distance_constraint_stats_list.Viol_total 891.941
_Distance_constraint_stats_list.Viol_max 0.295
_Distance_constraint_stats_list.Viol_rms 0.0188
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0288
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.029 0.011 20 0 "[ . 1 . 2]"
1 2 VAL 0.105 0.011 20 0 "[ . 1 . 2]"
1 3 ARG 0.782 0.073 7 0 "[ . 1 . 2]"
1 4 LYS 7.340 0.181 18 0 "[ . 1 . 2]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 TRP 9.140 0.172 18 0 "[ . 1 . 2]"
1 7 HIS 8.508 0.181 18 0 "[ . 1 . 2]"
1 8 GLU 3.696 0.134 7 0 "[ . 1 . 2]"
1 9 HIS 2.627 0.124 14 0 "[ . 1 . 2]"
1 10 VAL 3.355 0.092 13 0 "[ . 1 . 2]"
1 11 THR 2.020 0.124 14 0 "[ . 1 . 2]"
1 12 GLN 0.220 0.024 6 0 "[ . 1 . 2]"
1 13 ASP 0.119 0.017 8 0 "[ . 1 . 2]"
1 14 LEU 0.072 0.022 10 0 "[ . 1 . 2]"
1 15 ARG 0.044 0.016 12 0 "[ . 1 . 2]"
1 16 SER 0.145 0.012 7 0 "[ . 1 . 2]"
1 17 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.016 0.003 6 0 "[ . 1 . 2]"
1 19 VAL 0.105 0.008 10 0 "[ . 1 . 2]"
1 20 HIS 0.109 0.013 10 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 0.056 0.008 10 0 "[ . 1 . 2]"
1 23 VAL 0.110 0.013 10 0 "[ . 1 . 2]"
1 24 GLN 0.007 0.002 16 0 "[ . 1 . 2]"
1 25 ALA 0.059 0.005 11 0 "[ . 1 . 2]"
1 26 ILE 0.035 0.003 17 0 "[ . 1 . 2]"
1 27 PHE 0.119 0.008 18 0 "[ . 1 . 2]"
1 28 PRO 0.029 0.005 6 0 "[ . 1 . 2]"
1 29 THR 0.148 0.039 14 0 "[ . 1 . 2]"
1 30 PRO 0.163 0.039 14 0 "[ . 1 . 2]"
1 31 ASP 0.250 0.022 15 0 "[ . 1 . 2]"
1 32 PRO 0.023 0.011 13 0 "[ . 1 . 2]"
1 33 ALA 0.169 0.023 17 0 "[ . 1 . 2]"
1 34 ALA 0.538 0.023 17 0 "[ . 1 . 2]"
1 35 LEU 0.242 0.014 15 0 "[ . 1 . 2]"
1 36 LYS 0.004 0.003 8 0 "[ . 1 . 2]"
1 37 ASP 0.371 0.019 16 0 "[ . 1 . 2]"
1 38 ARG 0.037 0.010 13 0 "[ . 1 . 2]"
1 39 ARG 0.053 0.008 18 0 "[ . 1 . 2]"
1 40 MET 0.414 0.017 2 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASN 0.052 0.007 18 0 "[ . 1 . 2]"
1 43 LEU 0.299 0.017 2 0 "[ . 1 . 2]"
1 44 VAL 0.202 0.014 10 0 "[ . 1 . 2]"
1 45 ALA 0.150 0.014 10 0 "[ . 1 . 2]"
1 46 TYR 0.078 0.005 2 0 "[ . 1 . 2]"
1 47 ALA 0.107 0.006 18 0 "[ . 1 . 2]"
1 48 LYS 0.010 0.006 13 0 "[ . 1 . 2]"
1 49 LYS 0.002 0.002 10 0 "[ . 1 . 2]"
1 50 VAL 0.963 0.052 15 0 "[ . 1 . 2]"
1 51 GLU 0.775 0.047 18 0 "[ . 1 . 2]"
1 52 GLY 0.010 0.005 3 0 "[ . 1 . 2]"
1 53 ASP 0.983 0.052 15 0 "[ . 1 . 2]"
1 54 MET 0.801 0.047 18 0 "[ . 1 . 2]"
1 55 TYR 1.902 0.078 14 0 "[ . 1 . 2]"
1 56 GLU 1.990 0.168 9 0 "[ . 1 . 2]"
1 57 SER 0.068 0.010 18 0 "[ . 1 . 2]"
1 58 ALA 7.551 0.227 6 0 "[ . 1 . 2]"
1 59 ASN 4.056 0.180 5 0 "[ . 1 . 2]"
1 60 SER 4.796 0.227 6 0 "[ . 1 . 2]"
1 61 ARG 0.749 0.052 13 0 "[ . 1 . 2]"
1 62 ASP 0.083 0.019 2 0 "[ . 1 . 2]"
1 63 GLU 0.013 0.004 10 0 "[ . 1 . 2]"
1 64 TYR 0.330 0.027 5 0 "[ . 1 . 2]"
1 65 TYR 0.103 0.019 2 0 "[ . 1 . 2]"
1 66 HIS 0.008 0.003 13 0 "[ . 1 . 2]"
1 67 LEU 0.222 0.028 2 0 "[ . 1 . 2]"
1 68 LEU 0.097 0.016 2 0 "[ . 1 . 2]"
1 69 ALA 0.073 0.012 8 0 "[ . 1 . 2]"
1 70 GLU 0.190 0.013 20 0 "[ . 1 . 2]"
1 71 LYS 0.084 0.062 20 0 "[ . 1 . 2]"
1 72 ILE 0.111 0.012 8 0 "[ . 1 . 2]"
1 73 TYR 0.283 0.013 20 0 "[ . 1 . 2]"
1 74 LYS 0.066 0.006 15 0 "[ . 1 . 2]"
1 75 ILE 0.082 0.062 20 0 "[ . 1 . 2]"
1 76 GLN 0.019 0.011 20 0 "[ . 1 . 2]"
1 77 LYS 0.043 0.011 20 0 "[ . 1 . 2]"
1 78 GLU 0.001 0.001 18 0 "[ . 1 . 2]"
1 79 LEU 0.024 0.005 13 0 "[ . 1 . 2]"
1 80 GLU 0.000 0.000 10 0 "[ . 1 . 2]"
1 81 GLU 0.005 0.004 4 0 "[ . 1 . 2]"
1 82 LYS 0.010 0.002 4 0 "[ . 1 . 2]"
1 83 ARG 0.379 0.027 5 0 "[ . 1 . 2]"
1 84 ARG 2.118 0.105 5 0 "[ . 1 . 2]"
1 85 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ARG 9.555 0.295 16 0 "[ . 1 . 2]"
1 87 LEU 7.918 0.295 16 0 "[ . 1 . 2]"
2 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 THR 0.002 0.001 18 0 "[ . 1 . 2]"
2 5 ASP 0.002 0.001 18 0 "[ . 1 . 2]"
2 6 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 GLU 0.181 0.011 11 0 "[ . 1 . 2]"
2 8 LEU 0.001 0.001 19 0 "[ . 1 . 2]"
2 9 SER 0.003 0.002 19 0 "[ . 1 . 2]"
2 10 ASP 0.181 0.011 11 0 "[ . 1 . 2]"
2 11 LEU 0.034 0.005 17 0 "[ . 1 . 2]"
2 12 LEU 0.053 0.012 17 0 "[ . 1 . 2]"
2 13 ASP 0.028 0.012 17 0 "[ . 1 . 2]"
2 14 PHE 0.089 0.005 8 0 "[ . 1 . 2]"
2 15 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 ALA 0.001 0.001 18 0 "[ . 1 . 2]"
2 17 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 VAL H 4.000 . 5.000 2.295 2.109 2.894 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 2 VAL QG 2.500 . 3.000 2.961 2.845 3.011 0.011 20 0 "[ . 1 . 2]" 1
3 1 2 VAL HA 1 3 ARG H 2.500 . 3.000 2.516 2.481 2.597 . 0 0 "[ . 1 . 2]" 1
4 1 2 VAL HB 1 3 ARG H 2.500 . 3.000 2.501 1.988 3.009 0.009 10 0 "[ . 1 . 2]" 1
5 1 2 VAL QG 1 3 ARG H 2.500 . 3.000 2.501 1.913 3.002 0.002 6 0 "[ . 1 . 2]" 1
6 1 2 VAL QG 1 3 ARG HA 4.000 . 5.000 3.767 3.421 4.106 . 0 0 "[ . 1 . 2]" 1
7 1 3 ARG H 1 4 LYS H 4.000 . 5.000 3.743 2.066 4.546 . 0 0 "[ . 1 . 2]" 1
8 1 3 ARG HA 1 4 LYS H 2.500 . 3.000 2.493 2.187 2.919 . 0 0 "[ . 1 . 2]" 1
9 1 3 ARG HA 1 4 LYS QG 4.000 . 5.000 3.740 3.437 4.471 . 0 0 "[ . 1 . 2]" 1
10 1 3 ARG QB 1 7 HIS H 4.000 . 5.000 5.035 5.009 5.073 0.073 7 0 "[ . 1 . 2]" 1
11 1 3 ARG QG 1 4 LYS H 4.000 . 5.000 3.947 2.192 4.948 . 0 0 "[ . 1 . 2]" 1
12 1 4 LYS H 1 59 ASN QB 4.000 . 5.000 5.135 5.088 5.180 0.180 5 0 "[ . 1 . 2]" 1
13 1 4 LYS HA 1 5 GLY H 4.000 . 5.000 2.703 2.379 3.298 . 0 0 "[ . 1 . 2]" 1
14 1 4 LYS HA 1 6 TRP HD1 4.000 . 5.000 4.940 4.558 5.112 0.112 18 0 "[ . 1 . 2]" 1
15 1 4 LYS QB 1 6 TRP H 4.000 . 5.000 3.089 2.916 3.167 . 0 0 "[ . 1 . 2]" 1
16 1 4 LYS QB 1 6 TRP HD1 4.000 . 5.000 2.138 1.928 2.356 . 0 0 "[ . 1 . 2]" 1
17 1 4 LYS QB 1 7 HIS H 4.000 . 5.000 5.065 4.866 5.181 0.181 18 0 "[ . 1 . 2]" 1
18 1 4 LYS QB 1 59 ASN QB 4.000 . 5.000 3.293 2.926 3.747 . 0 0 "[ . 1 . 2]" 1
19 1 4 LYS QB 1 59 ASN QD 4.000 . 5.000 4.209 3.046 5.002 0.002 16 0 "[ . 1 . 2]" 1
20 1 4 LYS QD 1 6 TRP HD1 4.000 . 5.000 1.922 1.749 2.055 0.051 18 0 "[ . 1 . 2]" 1
21 1 4 LYS QD 1 6 TRP HE1 2.500 . 3.000 2.648 2.522 2.745 . 0 0 "[ . 1 . 2]" 1
22 1 4 LYS QD 1 6 TRP HZ2 4.000 . 5.000 5.024 4.975 5.044 0.044 8 0 "[ . 1 . 2]" 1
23 1 4 LYS QD 1 59 ASN HA 2.500 . 3.000 1.795 1.782 1.865 0.018 15 0 "[ . 1 . 2]" 1
24 1 4 LYS QD 1 59 ASN QB 2.500 . 3.000 2.079 1.794 2.831 0.006 13 0 "[ . 1 . 2]" 1
25 1 4 LYS QD 1 59 ASN QD 4.300 . 6.000 3.421 1.939 4.594 . 0 0 "[ . 1 . 2]" 1
26 1 4 LYS QE 1 6 TRP HE1 4.000 . 5.000 2.479 2.411 2.818 . 0 0 "[ . 1 . 2]" 1
27 1 4 LYS QE 1 6 TRP HZ2 4.000 . 5.000 5.051 5.005 5.085 0.085 18 0 "[ . 1 . 2]" 1
28 1 4 LYS QE 1 56 GLU HA 4.000 . 5.000 4.801 3.980 5.037 0.037 5 0 "[ . 1 . 2]" 1
29 1 4 LYS QE 1 59 ASN HA 4.000 . 5.000 3.019 1.929 3.559 . 0 0 "[ . 1 . 2]" 1
30 1 4 LYS QG 1 59 ASN HA 4.000 . 5.000 3.564 3.157 3.763 . 0 0 "[ . 1 . 2]" 1
31 1 5 GLY QA 1 6 TRP H 4.000 . 5.000 2.483 2.391 2.636 . 0 0 "[ . 1 . 2]" 1
32 1 5 GLY QA 1 7 HIS H 4.300 . 6.000 4.318 4.244 4.427 . 0 0 "[ . 1 . 2]" 1
33 1 5 GLY QA 1 8 GLU H 4.300 . 6.000 3.705 3.591 3.856 . 0 0 "[ . 1 . 2]" 1
34 1 5 GLY QA 1 8 GLU QG 4.000 . 5.000 2.381 1.908 2.949 . 0 0 "[ . 1 . 2]" 1
35 1 6 TRP H 1 7 HIS H 4.000 . 5.000 2.770 2.704 2.933 . 0 0 "[ . 1 . 2]" 1
36 1 6 TRP HA 1 7 HIS H 4.000 . 5.000 3.536 3.507 3.575 . 0 0 "[ . 1 . 2]" 1
37 1 6 TRP HA 1 7 HIS HA 4.300 . 6.000 4.661 4.580 4.728 . 0 0 "[ . 1 . 2]" 1
38 1 6 TRP HA 1 8 GLU H 4.000 . 5.000 4.147 4.001 4.344 . 0 0 "[ . 1 . 2]" 1
39 1 6 TRP HA 1 8 GLU QG 4.000 . 5.000 3.555 3.359 3.811 . 0 0 "[ . 1 . 2]" 1
40 1 6 TRP HA 1 9 HIS H 4.300 . 6.000 5.049 4.926 5.188 . 0 0 "[ . 1 . 2]" 1
41 1 6 TRP HA 1 60 SER HA 4.000 . 5.000 2.759 2.224 3.543 . 0 0 "[ . 1 . 2]" 1
42 1 6 TRP QB 1 60 SER HA 4.000 . 5.000 4.383 3.830 4.888 . 0 0 "[ . 1 . 2]" 1
43 1 6 TRP QB 1 61 ARG HA 4.300 . 6.000 6.025 6.008 6.051 0.051 5 0 "[ . 1 . 2]" 1
44 1 6 TRP HD1 1 59 ASN HA 4.000 . 5.000 3.377 3.199 3.637 . 0 0 "[ . 1 . 2]" 1
45 1 6 TRP HD1 1 60 SER HA 4.000 . 5.000 4.730 4.398 5.012 0.012 3 0 "[ . 1 . 2]" 1
46 1 6 TRP HE1 1 7 HIS H 4.000 . 5.000 3.922 3.879 3.984 . 0 0 "[ . 1 . 2]" 1
47 1 6 TRP HE1 1 10 VAL QG 2.500 . 3.000 1.814 1.791 1.865 0.009 5 0 "[ . 1 . 2]" 1
48 1 6 TRP HE1 1 56 GLU HA 4.000 . 5.000 3.832 3.383 4.059 . 0 0 "[ . 1 . 2]" 1
49 1 6 TRP HE1 1 59 ASN HA 2.500 . 3.000 2.496 1.971 3.045 0.045 10 0 "[ . 1 . 2]" 1
50 1 6 TRP HE1 1 59 ASN QB 4.300 . 6.000 4.354 3.844 4.992 . 0 0 "[ . 1 . 2]" 1
51 1 6 TRP HE1 1 60 SER HA 4.300 . 6.000 4.426 3.936 4.769 . 0 0 "[ . 1 . 2]" 1
52 1 6 TRP HE3 1 8 GLU H 4.300 . 6.000 4.979 4.836 5.147 . 0 0 "[ . 1 . 2]" 1
53 1 6 TRP HE3 1 10 VAL QG 2.500 . 3.000 1.814 1.791 1.865 0.009 5 0 "[ . 1 . 2]" 1
54 1 6 TRP HE3 1 58 ALA MB 4.000 . 5.000 5.075 5.033 5.121 0.121 9 0 "[ . 1 . 2]" 1
55 1 6 TRP HE3 1 61 ARG H 4.300 . 6.000 4.957 4.173 6.012 0.012 13 0 "[ . 1 . 2]" 1
56 1 6 TRP HE3 1 61 ARG HA 4.000 . 5.000 4.057 3.760 4.554 . 0 0 "[ . 1 . 2]" 1
57 1 6 TRP HH2 1 10 VAL QG 4.000 . 5.000 3.519 3.385 3.676 . 0 0 "[ . 1 . 2]" 1
58 1 6 TRP HH2 1 55 TYR HA 2.500 . 3.000 2.464 1.897 2.965 . 0 0 "[ . 1 . 2]" 1
59 1 6 TRP HH2 1 58 ALA MB 2.500 . 3.000 2.784 2.653 3.014 0.014 5 0 "[ . 1 . 2]" 1
60 1 6 TRP HH2 1 61 ARG HA 4.000 . 5.000 4.611 4.030 5.052 0.052 13 0 "[ . 1 . 2]" 1
61 1 6 TRP HH2 1 64 TYR QB 4.000 . 5.000 2.336 2.032 2.988 . 0 0 "[ . 1 . 2]" 1
62 1 6 TRP HH2 1 64 TYR QD 4.000 . 5.000 2.972 2.526 3.687 . 0 0 "[ . 1 . 2]" 1
63 1 6 TRP HZ2 1 10 VAL QG 4.000 . 5.000 4.930 4.832 5.021 0.021 13 0 "[ . 1 . 2]" 1
64 1 6 TRP HZ2 1 55 TYR HA 4.000 . 5.000 3.241 2.136 4.284 . 0 0 "[ . 1 . 2]" 1
65 1 6 TRP HZ2 1 55 TYR QD 4.000 . 5.000 3.752 2.953 4.585 . 0 0 "[ . 1 . 2]" 1
66 1 6 TRP HZ2 1 55 TYR QE 4.000 . 5.000 4.331 3.516 5.014 0.014 18 0 "[ . 1 . 2]" 1
67 1 6 TRP HZ2 1 56 GLU HA 4.000 . 5.000 3.510 2.146 4.069 . 0 0 "[ . 1 . 2]" 1
68 1 6 TRP HZ2 1 56 GLU QG 4.000 . 5.000 4.969 3.951 5.168 0.168 9 0 "[ . 1 . 2]" 1
69 1 6 TRP HZ2 1 58 ALA H 4.000 . 5.000 2.860 2.518 3.319 . 0 0 "[ . 1 . 2]" 1
70 1 6 TRP HZ2 1 58 ALA HA 4.000 . 5.000 4.374 3.887 4.861 . 0 0 "[ . 1 . 2]" 1
71 1 6 TRP HZ2 1 58 ALA MB 2.500 . 3.000 2.298 1.962 3.002 0.002 5 0 "[ . 1 . 2]" 1
72 1 6 TRP HZ2 1 64 TYR QD 4.000 . 5.000 4.395 3.789 5.027 0.027 5 0 "[ . 1 . 2]" 1
73 1 6 TRP HZ3 1 7 HIS HA 4.000 . 5.000 5.141 5.121 5.172 0.172 18 0 "[ . 1 . 2]" 1
74 1 6 TRP HZ3 1 10 VAL HB 4.000 . 5.000 3.670 3.128 4.412 . 0 0 "[ . 1 . 2]" 1
75 1 6 TRP HZ3 1 10 VAL QG 2.500 . 3.000 1.816 1.780 1.900 0.020 12 0 "[ . 1 . 2]" 1
76 1 6 TRP HZ3 1 64 TYR QD 4.000 . 5.000 3.189 2.863 3.984 . 0 0 "[ . 1 . 2]" 1
77 1 7 HIS H 1 8 GLU H 2.500 . 3.000 2.651 2.507 2.797 . 0 0 "[ . 1 . 2]" 1
78 1 7 HIS HA 1 8 GLU H 4.000 . 5.000 3.380 3.360 3.395 . 0 0 "[ . 1 . 2]" 1
79 1 7 HIS HA 1 10 VAL H 4.000 . 5.000 3.193 2.782 3.503 . 0 0 "[ . 1 . 2]" 1
80 1 7 HIS HA 1 10 VAL HB 4.000 . 5.000 2.858 2.054 3.781 . 0 0 "[ . 1 . 2]" 1
81 1 7 HIS HA 1 10 VAL QG . . 3.000 2.637 1.838 3.085 0.085 14 0 "[ . 1 . 2]" 1
82 1 7 HIS HA 1 55 TYR QE 4.000 . 5.000 4.460 3.733 5.020 0.020 7 0 "[ . 1 . 2]" 1
83 1 7 HIS QB 1 8 GLU H 2.500 . 3.000 3.115 3.098 3.134 0.134 7 0 "[ . 1 . 2]" 1
84 1 7 HIS QB 1 8 GLU QG 4.000 . 5.000 4.523 4.368 4.592 . 0 0 "[ . 1 . 2]" 1
85 1 7 HIS QB 1 10 VAL HB 4.300 . 6.000 4.743 4.081 5.574 . 0 0 "[ . 1 . 2]" 1
86 1 8 GLU H 1 10 VAL QG 4.000 . 5.000 4.074 3.599 4.493 . 0 0 "[ . 1 . 2]" 1
87 1 8 GLU HA 1 9 HIS HA 4.000 . 5.000 4.503 4.494 4.517 . 0 0 "[ . 1 . 2]" 1
88 1 8 GLU QB 1 9 HIS H 2.500 . 3.000 3.044 3.011 3.073 0.073 14 0 "[ . 1 . 2]" 1
89 1 8 GLU QB 1 9 HIS HA 4.300 . 6.000 4.273 4.211 4.335 . 0 0 "[ . 1 . 2]" 1
90 1 8 GLU QB 1 10 VAL H 4.000 . 5.000 4.954 4.778 5.092 0.092 13 0 "[ . 1 . 2]" 1
91 1 8 GLU QG 1 9 HIS H 4.000 . 5.000 2.165 1.953 2.363 . 0 0 "[ . 1 . 2]" 1
92 1 8 GLU QG 1 9 HIS HA 4.000 . 5.000 4.777 4.513 4.909 . 0 0 "[ . 1 . 2]" 1
93 1 8 GLU QG 1 9 HIS QB 4.000 . 5.000 3.709 3.229 3.885 . 0 0 "[ . 1 . 2]" 1
94 1 8 GLU QG 1 10 VAL H 4.000 . 5.000 4.198 3.871 4.490 . 0 0 "[ . 1 . 2]" 1
95 1 9 HIS H 1 10 VAL QG 4.000 . 5.000 2.890 2.555 3.243 . 0 0 "[ . 1 . 2]" 1
96 1 9 HIS HA 1 10 VAL H 2.500 . 3.000 2.934 2.814 3.039 0.039 14 0 "[ . 1 . 2]" 1
97 1 9 HIS HA 1 10 VAL HA 4.000 . 5.000 4.471 4.412 4.516 . 0 0 "[ . 1 . 2]" 1
98 1 9 HIS HA 1 10 VAL QG 4.000 . 5.000 4.255 4.045 4.479 . 0 0 "[ . 1 . 2]" 1
99 1 9 HIS HA 1 11 THR HG1 2.500 . 3.000 3.078 3.039 3.124 0.124 14 0 "[ . 1 . 2]" 1
100 1 9 HIS QB 1 10 VAL H 4.000 . 5.000 3.815 3.692 3.943 . 0 0 "[ . 1 . 2]" 1
101 1 9 HIS QB 1 10 VAL QG 4.000 . 5.000 3.675 3.384 3.950 . 0 0 "[ . 1 . 2]" 1
102 1 9 HIS QB 1 11 THR HG1 4.000 . 5.000 4.582 4.462 4.657 . 0 0 "[ . 1 . 2]" 1
103 1 9 HIS HD1 1 14 LEU QD 4.000 . 5.000 3.547 1.967 5.000 . 0 0 "[ . 1 . 2]" 1
104 1 9 HIS HD1 1 61 ARG QD 4.000 . 5.000 3.605 1.944 5.005 0.005 19 0 "[ . 1 . 2]" 1
105 1 10 VAL HA 1 14 LEU QB 4.000 . 5.000 3.001 2.403 3.833 . 0 0 "[ . 1 . 2]" 1
106 1 10 VAL HA 1 14 LEU QD 2.500 . 3.000 2.694 1.923 3.005 0.005 18 0 "[ . 1 . 2]" 1
107 1 10 VAL HB 1 55 TYR QD 4.000 . 5.000 5.025 5.011 5.045 0.045 20 0 "[ . 1 . 2]" 1
108 1 10 VAL HB 1 55 TYR QE . . 3.000 3.045 3.008 3.078 0.078 14 0 "[ . 1 . 2]" 1
109 1 10 VAL QG 1 11 THR H 2.500 . 3.000 2.972 2.554 3.072 0.072 14 0 "[ . 1 . 2]" 1
110 1 10 VAL QG 1 15 ARG QB 2.500 . 3.000 2.578 1.885 3.002 0.002 19 0 "[ . 1 . 2]" 1
111 1 10 VAL QG 1 55 TYR QD 4.000 . 5.000 2.902 2.627 3.183 . 0 0 "[ . 1 . 2]" 1
112 1 10 VAL QG 1 55 TYR QE 2.500 . 3.000 2.020 1.844 2.260 . 0 0 "[ . 1 . 2]" 1
113 1 10 VAL QG 1 61 ARG HA 4.000 . 5.000 2.652 2.215 3.541 . 0 0 "[ . 1 . 2]" 1
114 1 10 VAL QG 1 61 ARG QD 2.500 . 3.000 2.918 1.992 3.015 0.015 20 0 "[ . 1 . 2]" 1
115 1 10 VAL QG 1 64 TYR QE 2.500 . 3.000 2.901 2.731 3.022 0.022 13 0 "[ . 1 . 2]" 1
116 1 11 THR H 1 12 GLN H 4.300 . 6.000 4.533 4.375 4.618 . 0 0 "[ . 1 . 2]" 1
117 1 11 THR HA 1 12 GLN H 2.500 . 3.000 2.513 2.406 2.669 . 0 0 "[ . 1 . 2]" 1
118 1 11 THR HA 1 12 GLN HA 4.000 . 5.000 4.310 4.302 4.320 . 0 0 "[ . 1 . 2]" 1
119 1 11 THR HA 1 12 GLN QB 4.000 . 5.000 4.424 4.163 4.620 . 0 0 "[ . 1 . 2]" 1
120 1 11 THR HA 1 12 GLN QG 4.000 . 5.000 4.380 4.081 5.014 0.014 4 0 "[ . 1 . 2]" 1
121 1 11 THR HA 1 13 ASP H 4.000 . 5.000 4.608 4.308 4.890 . 0 0 "[ . 1 . 2]" 1
122 1 11 THR HB 1 12 GLN QB 4.000 . 5.000 4.671 3.955 5.003 0.003 1 0 "[ . 1 . 2]" 1
123 1 11 THR HB 1 13 ASP QB 4.000 . 5.000 4.223 3.718 5.004 0.004 19 0 "[ . 1 . 2]" 1
124 1 11 THR HG1 1 12 GLN H 2.500 . 3.000 2.859 1.880 3.024 0.024 6 0 "[ . 1 . 2]" 1
125 1 11 THR HG1 1 12 GLN QG 4.000 . 5.000 3.751 3.185 5.017 0.017 8 0 "[ . 1 . 2]" 1
126 1 11 THR HG1 1 13 ASP QB 4.000 . 5.000 2.722 2.141 3.599 . 0 0 "[ . 1 . 2]" 1
127 1 11 THR HG1 1 14 LEU QB 2.500 . 3.000 2.777 2.369 2.998 . 0 0 "[ . 1 . 2]" 1
128 1 12 GLN H 1 13 ASP H 4.000 . 5.000 2.567 2.475 2.675 . 0 0 "[ . 1 . 2]" 1
129 1 12 GLN H 1 13 ASP QB 4.300 . 6.000 4.373 4.175 4.919 . 0 0 "[ . 1 . 2]" 1
130 1 12 GLN HA 1 13 ASP H 4.000 . 5.000 3.542 3.495 3.565 . 0 0 "[ . 1 . 2]" 1
131 1 12 GLN HA 1 13 ASP HA 4.000 . 5.000 4.797 4.715 4.838 . 0 0 "[ . 1 . 2]" 1
132 1 12 GLN HA 1 15 ARG H 4.000 . 5.000 3.652 3.484 4.019 . 0 0 "[ . 1 . 2]" 1
133 1 12 GLN HA 1 15 ARG QB 2.500 . 3.000 2.568 2.346 3.001 0.001 1 0 "[ . 1 . 2]" 1
134 1 12 GLN QB 1 13 ASP HA 4.000 . 5.000 4.196 3.658 4.355 . 0 0 "[ . 1 . 2]" 1
135 1 12 GLN QG 1 13 ASP H 4.000 . 5.000 2.320 1.904 4.253 . 0 0 "[ . 1 . 2]" 1
136 1 12 GLN QG 1 13 ASP HA 4.000 . 5.000 3.584 3.178 5.017 0.017 8 0 "[ . 1 . 2]" 1
137 1 12 GLN QG 1 15 ARG QB 4.000 . 5.000 4.792 3.837 5.016 0.016 12 0 "[ . 1 . 2]" 1
138 1 13 ASP H 1 14 LEU H 4.000 . 5.000 2.860 2.628 2.970 . 0 0 "[ . 1 . 2]" 1
139 1 13 ASP HA 1 16 SER H 4.000 . 5.000 3.640 3.330 3.934 . 0 0 "[ . 1 . 2]" 1
140 1 13 ASP HA 1 16 SER QB 2.500 . 3.000 2.988 2.809 3.012 0.012 7 0 "[ . 1 . 2]" 1
141 1 13 ASP QB 1 14 LEU H 2.500 . 3.000 2.347 2.219 3.016 0.016 19 0 "[ . 1 . 2]" 1
142 1 14 LEU H 1 15 ARG H 4.000 . 5.000 2.665 2.443 2.765 . 0 0 "[ . 1 . 2]" 1
143 1 14 LEU H 1 15 ARG QB 4.300 . 6.000 4.417 4.226 4.528 . 0 0 "[ . 1 . 2]" 1
144 1 14 LEU HA 1 15 ARG H 4.300 . 6.000 3.501 3.482 3.541 . 0 0 "[ . 1 . 2]" 1
145 1 14 LEU HA 1 17 HIS H 4.000 . 5.000 3.471 3.191 3.721 . 0 0 "[ . 1 . 2]" 1
146 1 14 LEU HA 1 17 HIS QB 4.000 . 5.000 2.804 2.343 3.390 . 0 0 "[ . 1 . 2]" 1
147 1 14 LEU QD 1 15 ARG H 4.000 . 5.000 3.908 3.037 4.257 . 0 0 "[ . 1 . 2]" 1
148 1 14 LEU QD 1 17 HIS QB 4.000 . 5.000 3.600 2.570 4.246 . 0 0 "[ . 1 . 2]" 1
149 1 14 LEU QD 1 61 ARG QD 4.000 . 5.000 3.182 2.050 4.218 . 0 0 "[ . 1 . 2]" 1
150 1 14 LEU QD 1 64 TYR QD 4.000 . 5.000 4.680 4.023 5.022 0.022 10 0 "[ . 1 . 2]" 1
151 1 14 LEU QD 1 65 TYR QD 4.000 . 5.000 3.885 2.955 4.424 . 0 0 "[ . 1 . 2]" 1
152 1 14 LEU QD 1 65 TYR QE 2.500 . 3.000 2.594 1.842 3.011 0.011 10 0 "[ . 1 . 2]" 1
153 1 14 LEU HG 1 65 TYR QE 4.000 . 5.000 4.532 3.595 5.001 0.001 12 0 "[ . 1 . 2]" 1
154 1 15 ARG H 1 16 SER H 4.000 . 5.000 2.652 2.508 2.793 . 0 0 "[ . 1 . 2]" 1
155 1 15 ARG QB 1 16 SER H 4.000 . 5.000 2.556 2.282 2.806 . 0 0 "[ . 1 . 2]" 1
156 1 15 ARG QD 1 16 SER H 4.000 . 5.000 4.166 2.709 4.916 . 0 0 "[ . 1 . 2]" 1
157 1 15 ARG HE 1 55 TYR QE 4.000 . 5.000 4.163 2.409 5.001 0.001 18 0 "[ . 1 . 2]" 1
158 1 16 SER H 1 17 HIS H 4.000 . 5.000 2.640 2.423 2.751 . 0 0 "[ . 1 . 2]" 1
159 1 16 SER HA 1 19 VAL H 4.000 . 5.000 3.296 3.089 3.478 . 0 0 "[ . 1 . 2]" 1
160 1 16 SER HA 1 19 VAL HB 2.500 . 3.000 3.004 3.001 3.008 0.008 10 0 "[ . 1 . 2]" 1
161 1 16 SER HA 1 19 VAL QG 2.500 . 3.000 1.973 1.908 2.361 . 0 0 "[ . 1 . 2]" 1
162 1 16 SER HA 1 20 HIS H 4.300 . 6.000 4.726 4.200 4.890 . 0 0 "[ . 1 . 2]" 1
163 1 16 SER QB 1 17 HIS H 4.000 . 5.000 2.844 2.600 3.481 . 0 0 "[ . 1 . 2]" 1
164 1 17 HIS H 1 18 LEU H 4.000 . 5.000 2.582 2.453 2.747 . 0 0 "[ . 1 . 2]" 1
165 1 17 HIS HA 1 20 HIS H 4.000 . 5.000 3.786 3.589 3.904 . 0 0 "[ . 1 . 2]" 1
166 1 17 HIS HA 1 20 HIS QB 4.000 . 5.000 3.395 3.083 3.681 . 0 0 "[ . 1 . 2]" 1
167 1 17 HIS QB 1 18 LEU HG 4.000 . 5.000 3.809 3.189 4.754 . 0 0 "[ . 1 . 2]" 1
168 1 18 LEU H 1 19 VAL H 4.000 . 5.000 2.432 2.366 2.670 . 0 0 "[ . 1 . 2]" 1
169 1 18 LEU HA 1 19 VAL H 4.000 . 5.000 3.493 3.469 3.520 . 0 0 "[ . 1 . 2]" 1
170 1 18 LEU HA 1 19 VAL HA 4.000 . 5.000 4.830 4.788 4.863 . 0 0 "[ . 1 . 2]" 1
171 1 18 LEU HA 1 20 HIS H 4.000 . 5.000 4.008 3.860 4.589 . 0 0 "[ . 1 . 2]" 1
172 1 18 LEU HA 1 68 LEU QD 4.000 . 5.000 3.353 2.662 3.851 . 0 0 "[ . 1 . 2]" 1
173 1 18 LEU QB 1 19 VAL H 4.000 . 5.000 2.815 2.634 2.880 . 0 0 "[ . 1 . 2]" 1
174 1 18 LEU QB 1 68 LEU QD 4.000 . 5.000 2.174 1.895 2.641 . 0 0 "[ . 1 . 2]" 1
175 1 18 LEU QD 1 64 TYR QD 4.000 . 5.000 2.634 2.191 3.043 . 0 0 "[ . 1 . 2]" 1
176 1 18 LEU QD 1 64 TYR QE 2.500 . 3.000 1.976 1.824 2.355 . 0 0 "[ . 1 . 2]" 1
177 1 18 LEU QD 1 65 TYR HA 2.500 . 3.000 2.769 2.189 3.001 0.001 15 0 "[ . 1 . 2]" 1
178 1 18 LEU QD 1 65 TYR QD 2.500 . 3.000 2.652 1.856 3.001 0.001 20 0 "[ . 1 . 2]" 1
179 1 18 LEU QD 1 65 TYR QE 2.500 . 3.000 2.366 1.891 2.827 . 0 0 "[ . 1 . 2]" 1
180 1 18 LEU QD 1 68 LEU QD 2.500 . 3.000 1.932 1.797 2.880 0.003 6 0 "[ . 1 . 2]" 1
181 1 18 LEU HG 1 65 TYR QE 4.000 . 5.000 3.429 2.141 4.226 . 0 0 "[ . 1 . 2]" 1
182 1 18 LEU HG 1 68 LEU QD 4.000 . 5.000 3.725 2.412 4.421 . 0 0 "[ . 1 . 2]" 1
183 1 19 VAL H 1 20 HIS H 4.000 . 5.000 2.678 2.575 2.794 . 0 0 "[ . 1 . 2]" 1
184 1 19 VAL HA 1 22 LEU H 4.000 . 5.000 3.632 3.418 3.758 . 0 0 "[ . 1 . 2]" 1
185 1 19 VAL HA 1 22 LEU QB 4.000 . 5.000 3.396 2.575 3.928 . 0 0 "[ . 1 . 2]" 1
186 1 19 VAL HA 1 22 LEU QD 2.500 . 3.000 2.845 2.415 3.008 0.008 10 0 "[ . 1 . 2]" 1
187 1 19 VAL HB 1 20 HIS H 2.500 . 3.000 2.800 2.390 2.946 . 0 0 "[ . 1 . 2]" 1
188 1 19 VAL QG 1 20 HIS H 4.000 . 5.000 3.349 3.175 3.415 . 0 0 "[ . 1 . 2]" 1
189 1 19 VAL QG 1 51 GLU QB 4.000 . 5.000 2.472 2.046 3.720 . 0 0 "[ . 1 . 2]" 1
190 1 19 VAL QG 1 51 GLU QG 4.000 . 5.000 2.905 1.924 3.810 . 0 0 "[ . 1 . 2]" 1
191 1 20 HIS HA 1 21 LYS H 4.000 . 5.000 3.491 3.475 3.556 . 0 0 "[ . 1 . 2]" 1
192 1 20 HIS HA 1 23 VAL H 4.000 . 5.000 3.314 3.256 3.468 . 0 0 "[ . 1 . 2]" 1
193 1 20 HIS HA 1 23 VAL HB 2.500 . 3.000 3.005 3.000 3.013 0.013 10 0 "[ . 1 . 2]" 1
194 1 20 HIS HA 1 23 VAL QG 2.500 . 3.000 2.428 2.111 2.853 . 0 0 "[ . 1 . 2]" 1
195 1 20 HIS QB 1 21 LYS H 4.000 . 5.000 2.836 2.400 2.931 . 0 0 "[ . 1 . 2]" 1
196 1 21 LYS H 1 22 LEU H 2.500 . 3.000 2.743 2.650 2.788 . 0 0 "[ . 1 . 2]" 1
197 1 22 LEU H 1 23 VAL H 2.500 . 3.000 2.645 2.537 2.701 . 0 0 "[ . 1 . 2]" 1
198 1 22 LEU QB 1 23 VAL H 4.000 . 5.000 2.765 2.590 2.856 . 0 0 "[ . 1 . 2]" 1
199 1 22 LEU QB 1 23 VAL HA 4.000 . 5.000 3.890 3.822 4.213 . 0 0 "[ . 1 . 2]" 1
200 1 22 LEU QB 1 24 GLN H 4.300 . 6.000 4.619 4.514 4.671 . 0 0 "[ . 1 . 2]" 1
201 1 22 LEU QB 1 47 ALA HA 4.000 . 5.000 3.622 2.710 4.674 . 0 0 "[ . 1 . 2]" 1
202 1 22 LEU QB 1 47 ALA MB 2.500 . 3.000 2.584 1.851 3.003 0.003 10 0 "[ . 1 . 2]" 1
203 1 22 LEU QB 1 68 LEU QD 4.000 . 5.000 3.910 2.682 4.501 . 0 0 "[ . 1 . 2]" 1
204 1 22 LEU QD 1 47 ALA HA 2.500 . 3.000 2.931 2.004 3.002 0.002 13 0 "[ . 1 . 2]" 1
205 1 22 LEU QD 1 51 GLU HA 2.500 . 3.000 2.264 1.880 3.001 0.001 4 0 "[ . 1 . 2]" 1
206 1 22 LEU QD 1 68 LEU QD 2.500 . 3.000 2.152 1.796 2.814 0.004 4 0 "[ . 1 . 2]" 1
207 1 22 LEU QD 1 68 LEU HG 2.500 . 3.000 2.749 2.098 3.003 0.003 14 0 "[ . 1 . 2]" 1
208 1 23 VAL HA 1 24 GLN H 4.000 . 5.000 3.488 3.482 3.494 . 0 0 "[ . 1 . 2]" 1
209 1 23 VAL HA 1 25 ALA H 4.000 . 5.000 4.151 3.773 4.430 . 0 0 "[ . 1 . 2]" 1
210 1 23 VAL HA 1 26 ILE H 4.000 . 5.000 3.880 3.625 4.244 . 0 0 "[ . 1 . 2]" 1
211 1 23 VAL HA 1 26 ILE HB 4.000 . 5.000 3.990 3.566 4.434 . 0 0 "[ . 1 . 2]" 1
212 1 23 VAL HA 1 47 ALA MB 4.000 . 5.000 3.462 2.915 4.044 . 0 0 "[ . 1 . 2]" 1
213 1 23 VAL QG 1 24 GLN H 4.000 . 5.000 3.386 3.374 3.398 . 0 0 "[ . 1 . 2]" 1
214 1 23 VAL QG 1 27 PHE QB 4.000 . 5.000 3.445 2.993 3.900 . 0 0 "[ . 1 . 2]" 1
215 1 23 VAL QG 1 47 ALA HA 4.000 . 5.000 4.759 4.325 5.001 0.001 6 0 "[ . 1 . 2]" 1
216 1 23 VAL QG 1 47 ALA MB 2.500 . 3.000 2.488 2.153 2.803 . 0 0 "[ . 1 . 2]" 1
217 1 24 GLN H 1 25 ALA H 2.500 . 3.000 2.483 2.386 2.652 . 0 0 "[ . 1 . 2]" 1
218 1 24 GLN H 1 25 ALA MB 4.000 . 5.000 4.098 3.998 4.261 . 0 0 "[ . 1 . 2]" 1
219 1 24 GLN H 1 26 ILE H 4.000 . 5.000 4.530 4.155 4.870 . 0 0 "[ . 1 . 2]" 1
220 1 24 GLN HA 1 26 ILE H 4.000 . 5.000 4.571 4.115 5.000 . 0 0 "[ . 1 . 2]" 1
221 1 24 GLN HA 1 27 PHE H 4.000 . 5.000 3.360 3.026 3.556 . 0 0 "[ . 1 . 2]" 1
222 1 24 GLN HA 1 28 PRO HA 2.500 . 3.000 2.837 2.496 3.002 0.002 13 0 "[ . 1 . 2]" 1
223 1 24 GLN QB 1 25 ALA H 2.500 . 3.000 2.826 2.654 2.981 . 0 0 "[ . 1 . 2]" 1
224 1 24 GLN QG 1 27 PHE H 4.000 . 5.000 4.850 4.509 5.002 0.002 16 0 "[ . 1 . 2]" 1
225 1 25 ALA H 1 26 ILE H 2.500 . 3.000 2.862 2.716 3.003 0.003 2 0 "[ . 1 . 2]" 1
226 1 25 ALA H 1 27 PHE H 4.000 . 5.000 3.981 3.802 4.301 . 0 0 "[ . 1 . 2]" 1
227 1 25 ALA H 1 72 ILE QG 2.500 . 3.000 2.961 2.628 3.005 0.005 11 0 "[ . 1 . 2]" 1
228 1 25 ALA HA 1 26 ILE H 4.000 . 5.000 3.559 3.525 3.573 . 0 0 "[ . 1 . 2]" 1
229 1 25 ALA HA 1 28 PRO HA 4.000 . 5.000 4.909 4.732 5.003 0.003 16 0 "[ . 1 . 2]" 1
230 1 25 ALA HA 1 72 ILE QG 2.500 . 3.000 2.566 2.055 3.000 . 0 0 "[ . 1 . 2]" 1
231 1 25 ALA HA 1 76 GLN QE 4.000 . 5.000 3.641 2.162 4.434 . 0 0 "[ . 1 . 2]" 1
232 1 25 ALA HA 1 76 GLN QG 4.000 . 5.000 2.539 1.954 3.167 . 0 0 "[ . 1 . 2]" 1
233 1 25 ALA MB 1 26 ILE H 2.500 . 3.000 2.356 2.067 2.654 . 0 0 "[ . 1 . 2]" 1
234 1 25 ALA MB 1 26 ILE HA 4.000 . 5.000 3.732 3.640 3.833 . 0 0 "[ . 1 . 2]" 1
235 1 25 ALA MB 1 72 ILE HA 2.500 . 3.000 2.079 1.854 2.546 . 0 0 "[ . 1 . 2]" 1
236 1 25 ALA MB 1 72 ILE MD 4.000 . 5.000 3.411 1.798 4.167 0.002 4 0 "[ . 1 . 2]" 1
237 1 25 ALA MB 1 72 ILE QG 2.500 . 3.000 1.863 1.799 2.235 0.001 3 0 "[ . 1 . 2]" 1
238 1 25 ALA MB 1 75 ILE HB 4.000 . 5.000 2.554 1.953 3.673 . 0 0 "[ . 1 . 2]" 1
239 1 25 ALA MB 1 75 ILE MD 2.500 . 3.000 2.556 2.101 3.004 0.004 13 0 "[ . 1 . 2]" 1
240 1 25 ALA MB 1 76 GLN H 4.000 . 5.000 3.793 3.329 4.289 . 0 0 "[ . 1 . 2]" 1
241 1 25 ALA MB 1 76 GLN QE 4.000 . 5.000 4.267 3.123 4.992 . 0 0 "[ . 1 . 2]" 1
242 1 25 ALA MB 1 76 GLN QG 4.000 . 5.000 3.017 2.084 3.692 . 0 0 "[ . 1 . 2]" 1
243 1 26 ILE H 1 27 PHE H 2.500 . 3.000 2.540 2.283 2.652 . 0 0 "[ . 1 . 2]" 1
244 1 26 ILE MD 1 46 TYR QD 2.500 . 3.000 2.862 2.508 3.002 0.002 20 0 "[ . 1 . 2]" 1
245 1 26 ILE MD 1 46 TYR QE 2.500 . 3.000 2.989 2.768 3.003 0.003 17 0 "[ . 1 . 2]" 1
246 1 26 ILE QG 1 27 PHE H 4.000 . 5.000 3.413 3.216 3.562 . 0 0 "[ . 1 . 2]" 1
247 1 26 ILE QG 1 27 PHE HA 4.000 . 5.000 4.049 3.918 4.194 . 0 0 "[ . 1 . 2]" 1
248 1 26 ILE QG 1 46 TYR QD 4.000 . 5.000 4.288 3.709 4.547 . 0 0 "[ . 1 . 2]" 1
249 1 26 ILE QG 1 46 TYR QE 4.000 . 5.000 4.054 3.561 4.328 . 0 0 "[ . 1 . 2]" 1
250 1 26 ILE QG 2 12 LEU HA 2.500 . 3.000 2.738 2.106 3.002 0.002 20 0 "[ . 1 . 2]" 1
251 1 27 PHE HA 1 28 PRO QB 4.000 . 5.000 4.699 4.584 4.806 . 0 0 "[ . 1 . 2]" 1
252 1 27 PHE HA 1 28 PRO QD 2.500 . 3.000 2.112 1.974 2.252 . 0 0 "[ . 1 . 2]" 1
253 1 27 PHE HA 1 28 PRO QG 4.000 . 5.000 4.016 3.875 4.161 . 0 0 "[ . 1 . 2]" 1
254 1 27 PHE HA 1 29 THR HG1 4.000 . 5.000 4.437 3.616 4.976 . 0 0 "[ . 1 . 2]" 1
255 1 27 PHE HA 1 43 LEU QD 4.000 . 5.000 4.518 3.978 4.825 . 0 0 "[ . 1 . 2]" 1
256 1 27 PHE HA 1 79 LEU QD 4.000 . 5.000 3.647 2.874 4.414 . 0 0 "[ . 1 . 2]" 1
257 1 27 PHE QB 1 40 MET ME 2.500 . 3.000 2.963 2.738 3.004 0.004 16 0 "[ . 1 . 2]" 1
258 1 27 PHE QB 1 43 LEU QD 2.500 . 3.000 2.513 2.067 2.837 . 0 0 "[ . 1 . 2]" 1
259 1 27 PHE QB 1 43 LEU HG 4.300 . 6.000 4.883 4.300 5.345 . 0 0 "[ . 1 . 2]" 1
260 1 27 PHE QD 1 28 PRO QB 4.000 . 5.000 4.806 4.446 5.005 0.005 6 0 "[ . 1 . 2]" 1
261 1 27 PHE QD 1 28 PRO QD 4.000 . 5.000 3.267 2.974 3.679 . 0 0 "[ . 1 . 2]" 1
262 1 27 PHE QD 1 29 THR H 4.000 . 5.000 3.185 2.718 4.073 . 0 0 "[ . 1 . 2]" 1
263 1 27 PHE QD 1 29 THR HG1 4.000 . 5.000 2.971 2.250 3.795 . 0 0 "[ . 1 . 2]" 1
264 1 27 PHE QD 1 39 ARG HE 4.000 . 5.000 4.915 4.278 5.008 0.008 18 0 "[ . 1 . 2]" 1
265 1 27 PHE QD 1 40 MET ME 2.500 . 3.000 2.924 2.518 3.002 0.002 4 0 "[ . 1 . 2]" 1
266 1 27 PHE QD 1 43 LEU QD 4.000 . 5.000 2.931 2.165 3.889 . 0 0 "[ . 1 . 2]" 1
267 1 27 PHE QD 2 11 LEU QD 4.300 . 6.000 5.327 4.566 6.003 0.003 6 0 "[ . 1 . 2]" 1
268 1 27 PHE QD 2 14 PHE QE 4.000 . 5.000 4.527 3.365 5.002 0.002 6 0 "[ . 1 . 2]" 1
269 1 27 PHE QD 2 15 SER HA 4.000 . 5.000 3.951 2.682 4.999 . 0 0 "[ . 1 . 2]" 1
270 1 27 PHE QE 1 29 THR H 4.000 . 5.000 4.194 3.740 4.709 . 0 0 "[ . 1 . 2]" 1
271 1 27 PHE QE 1 29 THR HG1 4.000 . 5.000 2.310 1.921 3.012 . 0 0 "[ . 1 . 2]" 1
272 1 27 PHE QE 1 30 PRO HA 4.000 . 5.000 4.642 2.765 5.003 0.003 14 0 "[ . 1 . 2]" 1
273 1 27 PHE QE 1 31 ASP H 4.000 . 5.000 4.670 2.990 5.007 0.007 10 0 "[ . 1 . 2]" 1
274 1 27 PHE QE 1 31 ASP QB 4.000 . 5.000 2.579 1.969 3.078 . 0 0 "[ . 1 . 2]" 1
275 1 27 PHE QE 1 34 ALA MB 4.000 . 5.000 2.659 2.073 3.267 . 0 0 "[ . 1 . 2]" 1
276 1 27 PHE QE 1 40 MET ME 4.000 . 5.000 4.245 3.691 4.532 . 0 0 "[ . 1 . 2]" 1
277 1 27 PHE QE 2 14 PHE QE 4.000 . 5.000 2.876 1.993 4.495 . 0 0 "[ . 1 . 2]" 1
278 1 27 PHE QE 2 15 SER HA 4.300 . 6.000 3.264 2.479 4.233 . 0 0 "[ . 1 . 2]" 1
279 1 27 PHE QE 2 18 PHE QB 4.300 . 6.000 4.088 2.868 5.124 . 0 0 "[ . 1 . 2]" 1
280 1 27 PHE HZ 1 29 THR HG1 4.000 . 5.000 4.256 3.747 5.001 0.001 19 0 "[ . 1 . 2]" 1
281 1 27 PHE HZ 1 31 ASP QB 4.000 . 5.000 2.432 1.899 2.935 . 0 0 "[ . 1 . 2]" 1
282 1 27 PHE HZ 1 34 ALA MB 4.000 . 5.000 3.425 2.841 4.114 . 0 0 "[ . 1 . 2]" 1
283 1 27 PHE HZ 2 14 PHE QE 4.000 . 5.000 3.858 2.213 5.001 0.001 8 0 "[ . 1 . 2]" 1
284 1 27 PHE HZ 2 18 PHE QB 4.300 . 6.000 3.790 2.362 5.323 . 0 0 "[ . 1 . 2]" 1
285 1 28 PRO HA 1 29 THR HG1 4.000 . 5.000 4.838 4.501 4.997 . 0 0 "[ . 1 . 2]" 1
286 1 28 PRO QB 1 29 THR H . . 3.000 2.348 1.960 2.940 . 0 0 "[ . 1 . 2]" 1
287 1 28 PRO QB 1 29 THR HA 4.000 . 5.000 3.810 3.698 3.932 . 0 0 "[ . 1 . 2]" 1
288 1 28 PRO QD 1 29 THR H 2.500 . 3.000 2.759 2.542 2.983 . 0 0 "[ . 1 . 2]" 1
289 1 28 PRO QD 1 79 LEU QD . . 3.000 2.508 1.892 3.002 0.002 20 0 "[ . 1 . 2]" 1
290 1 29 THR HA 1 30 PRO QB 4.000 . 5.000 4.602 4.513 4.780 . 0 0 "[ . 1 . 2]" 1
291 1 29 THR HA 1 30 PRO QD 2.500 . 3.000 2.049 1.892 2.140 . 0 0 "[ . 1 . 2]" 1
292 1 29 THR HA 1 30 PRO QG 4.000 . 5.000 3.953 3.711 4.053 . 0 0 "[ . 1 . 2]" 1
293 1 29 THR HB 1 30 PRO QD . . 3.000 2.551 1.981 3.039 0.039 14 0 "[ . 1 . 2]" 1
294 1 29 THR HG1 1 30 PRO QD 2.500 . 3.000 2.702 1.984 3.011 0.011 19 0 "[ . 1 . 2]" 1
295 1 29 THR HG1 2 19 SER HA 4.000 . 5.000 3.762 2.109 4.662 . 0 0 "[ . 1 . 2]" 1
296 1 29 THR HG1 2 19 SER QB 4.000 . 5.000 3.627 1.903 4.819 . 0 0 "[ . 1 . 2]" 1
297 1 30 PRO QB 1 31 ASP H 2.500 . 3.000 2.853 2.273 3.003 0.003 16 0 "[ . 1 . 2]" 1
298 1 31 ASP H 1 34 ALA H 4.000 . 5.000 4.996 4.815 5.022 0.022 15 0 "[ . 1 . 2]" 1
299 1 31 ASP HA 1 32 PRO HA 4.300 . 6.000 4.599 4.458 4.675 . 0 0 "[ . 1 . 2]" 1
300 1 31 ASP HA 1 32 PRO QB 4.000 . 5.000 4.739 4.583 4.821 . 0 0 "[ . 1 . 2]" 1
301 1 31 ASP HA 1 32 PRO QD 2.500 . 3.000 1.924 1.896 1.993 . 0 0 "[ . 1 . 2]" 1
302 1 31 ASP HA 1 32 PRO QG 4.000 . 5.000 3.801 3.778 3.893 . 0 0 "[ . 1 . 2]" 1
303 1 31 ASP HA 1 33 ALA H 4.000 . 5.000 3.432 3.259 3.887 . 0 0 "[ . 1 . 2]" 1
304 1 31 ASP HA 1 33 ALA MB 4.000 . 5.000 4.499 4.238 5.004 0.004 6 0 "[ . 1 . 2]" 1
305 1 31 ASP HA 1 34 ALA MB 4.000 . 5.000 4.171 3.987 4.371 . 0 0 "[ . 1 . 2]" 1
306 1 31 ASP QB 1 32 PRO QD 4.000 . 5.000 3.710 3.423 3.849 . 0 0 "[ . 1 . 2]" 1
307 1 31 ASP QB 1 33 ALA H 4.000 . 5.000 3.740 3.423 4.163 . 0 0 "[ . 1 . 2]" 1
308 1 31 ASP QB 1 33 ALA MB 4.000 . 5.000 4.156 3.799 4.579 . 0 0 "[ . 1 . 2]" 1
309 1 31 ASP QB 1 34 ALA H 4.000 . 5.000 2.602 2.271 3.011 . 0 0 "[ . 1 . 2]" 1
310 1 31 ASP QB 1 34 ALA MB 4.000 . 5.000 1.910 1.815 2.106 . 0 0 "[ . 1 . 2]" 1
311 1 32 PRO HA 1 35 LEU QB 4.000 . 5.000 3.951 3.316 4.330 . 0 0 "[ . 1 . 2]" 1
312 1 32 PRO HA 1 35 LEU QD 2.500 . 3.000 2.575 1.956 3.000 . 0 0 "[ . 1 . 2]" 1
313 1 32 PRO HA 1 35 LEU HG 2.500 . 3.000 2.586 2.275 3.011 0.011 13 0 "[ . 1 . 2]" 1
314 1 32 PRO QB 1 33 ALA H 4.000 . 5.000 3.284 3.219 3.392 . 0 0 "[ . 1 . 2]" 1
315 1 32 PRO QB 1 33 ALA HA 4.000 . 5.000 4.013 3.981 4.039 . 0 0 "[ . 1 . 2]" 1
316 1 32 PRO QD 1 33 ALA H 2.500 . 3.000 2.827 2.580 2.963 . 0 0 "[ . 1 . 2]" 1
317 1 32 PRO QD 1 33 ALA MB 4.000 . 5.000 3.996 3.717 4.160 . 0 0 "[ . 1 . 2]" 1
318 1 32 PRO QG 1 33 ALA H . . 3.000 2.618 2.383 2.832 . 0 0 "[ . 1 . 2]" 1
319 1 33 ALA H 1 34 ALA H 2.500 . 3.000 2.397 2.384 2.409 . 0 0 "[ . 1 . 2]" 1
320 1 33 ALA H 1 34 ALA HA 4.000 . 5.000 5.007 4.983 5.023 0.023 17 0 "[ . 1 . 2]" 1
321 1 33 ALA H 1 35 LEU H 4.000 . 5.000 4.161 3.951 4.368 . 0 0 "[ . 1 . 2]" 1
322 1 33 ALA HA 1 36 LYS H 4.000 . 5.000 3.573 3.409 3.929 . 0 0 "[ . 1 . 2]" 1
323 1 33 ALA HA 1 36 LYS QB 4.000 . 5.000 3.400 2.946 4.057 . 0 0 "[ . 1 . 2]" 1
324 1 33 ALA HA 1 36 LYS QE 4.000 . 5.000 4.142 2.821 5.000 . 0 0 "[ . 1 . 2]" 1
325 1 33 ALA HA 1 37 ASP H 4.000 . 5.000 4.771 4.312 5.003 0.003 17 0 "[ . 1 . 2]" 1
326 1 34 ALA H 1 35 LEU H 2.500 . 3.000 2.603 2.459 2.782 . 0 0 "[ . 1 . 2]" 1
327 1 34 ALA H 1 35 LEU QB 4.000 . 5.000 4.821 4.379 4.960 . 0 0 "[ . 1 . 2]" 1
328 1 34 ALA H 1 35 LEU QD 4.000 . 5.000 3.953 3.140 4.300 . 0 0 "[ . 1 . 2]" 1
329 1 34 ALA H 1 36 LYS H 4.300 . 6.000 4.150 3.966 4.333 . 0 0 "[ . 1 . 2]" 1
330 1 34 ALA H 1 37 ASP H 4.000 . 5.000 4.726 4.470 4.860 . 0 0 "[ . 1 . 2]" 1
331 1 34 ALA H 2 14 PHE HZ 4.000 . 5.000 4.850 4.426 5.002 0.002 20 0 "[ . 1 . 2]" 1
332 1 34 ALA HA 1 37 ASP H 2.500 . 3.000 2.997 2.832 3.019 0.019 16 0 "[ . 1 . 2]" 1
333 1 34 ALA HA 1 37 ASP QB 4.000 . 5.000 2.207 2.018 2.438 . 0 0 "[ . 1 . 2]" 1
334 1 34 ALA HA 2 14 PHE HZ 4.000 . 5.000 2.909 2.578 3.282 . 0 0 "[ . 1 . 2]" 1
335 1 34 ALA MB 1 36 LYS H 4.000 . 5.000 4.403 4.247 4.541 . 0 0 "[ . 1 . 2]" 1
336 1 34 ALA MB 2 14 PHE HZ 4.000 . 5.000 3.451 2.612 4.038 . 0 0 "[ . 1 . 2]" 1
337 1 35 LEU H 1 36 LYS QB 4.000 . 5.000 4.645 4.427 4.880 . 0 0 "[ . 1 . 2]" 1
338 1 35 LEU H 1 37 ASP H 4.000 . 5.000 3.965 3.921 4.019 . 0 0 "[ . 1 . 2]" 1
339 1 35 LEU H 1 40 MET QG 4.000 . 5.000 4.606 4.123 4.924 . 0 0 "[ . 1 . 2]" 1
340 1 35 LEU HA 1 40 MET QG 2.500 . 3.000 2.546 2.032 3.001 0.001 7 0 "[ . 1 . 2]" 1
341 1 35 LEU QD 1 36 LYS H 4.000 . 5.000 3.993 3.797 4.049 . 0 0 "[ . 1 . 2]" 1
342 1 35 LEU QD 1 36 LYS HA 4.300 . 6.000 5.207 5.006 5.252 . 0 0 "[ . 1 . 2]" 1
343 1 35 LEU QD 1 37 ASP H 4.000 . 5.000 4.992 4.802 5.014 0.014 15 0 "[ . 1 . 2]" 1
344 1 35 LEU QD 1 40 MET QG 2.500 . 3.000 2.934 2.442 3.004 0.004 8 0 "[ . 1 . 2]" 1
345 1 36 LYS H 1 37 ASP H 2.500 . 3.000 2.294 2.168 2.353 . 0 0 "[ . 1 . 2]" 1
346 1 36 LYS H 1 37 ASP HA 4.300 . 6.000 4.902 4.795 4.979 . 0 0 "[ . 1 . 2]" 1
347 1 36 LYS H 1 37 ASP QB 4.000 . 5.000 4.065 3.950 4.292 . 0 0 "[ . 1 . 2]" 1
348 1 36 LYS QB 1 37 ASP H . . 3.000 2.931 2.813 3.003 0.003 8 0 "[ . 1 . 2]" 1
349 1 36 LYS QB 1 37 ASP HA 4.000 . 5.000 3.945 3.900 4.066 . 0 0 "[ . 1 . 2]" 1
350 1 36 LYS QB 1 38 ARG HE 4.300 . 6.000 5.274 4.219 5.999 . 0 0 "[ . 1 . 2]" 1
351 1 37 ASP H 1 38 ARG H 4.300 . 6.000 4.613 4.580 4.641 . 0 0 "[ . 1 . 2]" 1
352 1 37 ASP H 1 40 MET H 4.300 . 6.000 4.766 4.625 4.944 . 0 0 "[ . 1 . 2]" 1
353 1 37 ASP H 1 40 MET QB 4.000 . 5.000 3.851 3.528 4.186 . 0 0 "[ . 1 . 2]" 1
354 1 37 ASP H 2 14 PHE HZ 4.000 . 5.000 4.980 4.795 5.004 0.004 15 0 "[ . 1 . 2]" 1
355 1 37 ASP HA 1 38 ARG H 2.500 . 3.000 2.229 2.173 2.381 . 0 0 "[ . 1 . 2]" 1
356 1 37 ASP HA 1 38 ARG HA 4.000 . 5.000 4.326 4.307 4.339 . 0 0 "[ . 1 . 2]" 1
357 1 37 ASP HA 1 38 ARG QB 4.000 . 5.000 4.375 4.214 4.553 . 0 0 "[ . 1 . 2]" 1
358 1 37 ASP HA 1 38 ARG QD 4.300 . 6.000 4.851 3.271 5.823 . 0 0 "[ . 1 . 2]" 1
359 1 37 ASP HA 1 38 ARG QG 4.000 . 5.000 4.305 3.520 5.006 0.006 6 0 "[ . 1 . 2]" 1
360 1 37 ASP QB 1 40 MET H 4.000 . 5.000 2.713 2.355 3.086 . 0 0 "[ . 1 . 2]" 1
361 1 37 ASP QB 2 14 PHE HZ 4.000 . 5.000 2.986 2.661 3.354 . 0 0 "[ . 1 . 2]" 1
362 1 38 ARG H 1 39 ARG H 4.300 . 6.000 2.570 2.490 2.716 . 0 0 "[ . 1 . 2]" 1
363 1 38 ARG HA 1 40 MET H 4.000 . 5.000 4.190 3.884 4.545 . 0 0 "[ . 1 . 2]" 1
364 1 38 ARG QB 1 40 MET H 4.000 . 5.000 4.816 4.471 5.010 0.010 13 0 "[ . 1 . 2]" 1
365 1 38 ARG HE 1 39 ARG H 4.300 . 6.000 4.984 4.589 5.435 . 0 0 "[ . 1 . 2]" 1
366 1 38 ARG HE 1 40 MET QB 4.300 . 6.000 5.804 5.360 6.004 0.004 6 0 "[ . 1 . 2]" 1
367 1 39 ARG H 1 40 MET H 2.500 . 3.000 2.750 2.572 2.924 . 0 0 "[ . 1 . 2]" 1
368 1 39 ARG HA 1 40 MET H 4.000 . 5.000 3.531 3.485 3.563 . 0 0 "[ . 1 . 2]" 1
369 1 39 ARG HA 1 42 ASN H 4.000 . 5.000 3.632 3.526 3.803 . 0 0 "[ . 1 . 2]" 1
370 1 39 ARG HA 1 42 ASN QB 4.000 . 5.000 3.567 3.330 4.165 . 0 0 "[ . 1 . 2]" 1
371 1 39 ARG HA 1 42 ASN QD 4.300 . 6.000 4.054 2.526 5.869 . 0 0 "[ . 1 . 2]" 1
372 1 39 ARG HE 1 40 MET H 4.300 . 6.000 2.849 2.404 3.539 . 0 0 "[ . 1 . 2]" 1
373 1 39 ARG HE 1 40 MET QG 4.000 . 5.000 4.533 3.783 5.006 0.006 13 0 "[ . 1 . 2]" 1
374 1 39 ARG HE 1 43 LEU QD 4.000 . 5.000 3.462 2.218 4.141 . 0 0 "[ . 1 . 2]" 1
375 1 39 ARG HE 2 11 LEU QD 4.000 . 5.000 3.702 2.438 4.674 . 0 0 "[ . 1 . 2]" 1
376 1 39 ARG HE 2 14 PHE QE 4.000 . 5.000 3.957 2.054 5.001 0.001 19 0 "[ . 1 . 2]" 1
377 1 40 MET H 1 41 GLU H 2.500 . 3.000 2.692 2.654 2.740 . 0 0 "[ . 1 . 2]" 1
378 1 40 MET H 1 43 LEU QD 4.000 . 5.000 4.859 4.311 5.003 0.003 1 0 "[ . 1 . 2]" 1
379 1 40 MET H 2 11 LEU QD 4.000 . 5.000 4.881 4.395 5.005 0.005 13 0 "[ . 1 . 2]" 1
380 1 40 MET H 2 14 PHE QE 4.000 . 5.000 4.905 4.350 5.005 0.005 8 0 "[ . 1 . 2]" 1
381 1 40 MET HA 1 41 GLU H 4.000 . 5.000 3.483 3.461 3.499 . 0 0 "[ . 1 . 2]" 1
382 1 40 MET HA 1 43 LEU H 2.500 . 3.000 3.011 3.001 3.017 0.017 2 0 "[ . 1 . 2]" 1
383 1 40 MET HA 1 43 LEU QB 4.000 . 5.000 2.175 1.970 2.441 . 0 0 "[ . 1 . 2]" 1
384 1 40 MET HA 1 43 LEU QD 4.000 . 5.000 2.799 2.422 2.994 . 0 0 "[ . 1 . 2]" 1
385 1 40 MET HA 1 43 LEU HG 4.000 . 5.000 4.354 4.097 4.643 . 0 0 "[ . 1 . 2]" 1
386 1 40 MET HA 1 44 VAL QG 4.000 . 5.000 4.329 3.768 4.632 . 0 0 "[ . 1 . 2]" 1
387 1 40 MET QB 2 14 PHE QE 4.000 . 5.000 4.631 3.959 5.005 0.005 17 0 "[ . 1 . 2]" 1
388 1 40 MET ME 1 43 LEU QD 2.500 . 3.000 1.996 1.799 2.966 0.001 17 0 "[ . 1 . 2]" 1
389 1 40 MET QG 1 41 GLU H 4.000 . 5.000 4.101 3.852 4.377 . 0 0 "[ . 1 . 2]" 1
390 1 40 MET QG 1 43 LEU QD 4.000 . 5.000 3.229 2.595 3.911 . 0 0 "[ . 1 . 2]" 1
391 1 40 MET QG 1 44 VAL QG 2.500 . 3.000 2.937 2.666 3.006 0.006 13 0 "[ . 1 . 2]" 1
392 1 41 GLU H 1 42 ASN QB 4.300 . 6.000 4.604 4.446 4.947 . 0 0 "[ . 1 . 2]" 1
393 1 41 GLU HA 1 42 ASN H 4.000 . 5.000 3.502 3.478 3.536 . 0 0 "[ . 1 . 2]" 1
394 1 41 GLU QG 1 42 ASN H 4.000 . 5.000 3.986 2.169 4.376 . 0 0 "[ . 1 . 2]" 1
395 1 41 GLU QG 1 42 ASN HA 4.000 . 5.000 4.314 3.414 4.739 . 0 0 "[ . 1 . 2]" 1
396 1 42 ASN H 1 43 LEU H 2.500 . 3.000 2.390 2.384 2.414 . 0 0 "[ . 1 . 2]" 1
397 1 42 ASN H 1 43 LEU HG 4.300 . 6.000 6.003 6.000 6.007 0.007 18 0 "[ . 1 . 2]" 1
398 1 42 ASN H 1 45 ALA MB 4.300 . 6.000 5.139 4.800 5.330 . 0 0 "[ . 1 . 2]" 1
399 1 42 ASN H 2 11 LEU QD 4.000 . 5.000 3.796 3.394 4.131 . 0 0 "[ . 1 . 2]" 1
400 1 42 ASN HA 1 45 ALA H 4.000 . 5.000 3.640 3.574 3.754 . 0 0 "[ . 1 . 2]" 1
401 1 42 ASN HA 1 45 ALA MB 2.500 . 3.000 2.846 2.665 2.991 . 0 0 "[ . 1 . 2]" 1
402 1 42 ASN QB 1 43 LEU H 2.500 . 3.000 2.830 2.758 2.876 . 0 0 "[ . 1 . 2]" 1
403 1 42 ASN QB 1 43 LEU HA 4.000 . 5.000 3.905 3.861 3.967 . 0 0 "[ . 1 . 2]" 1
404 1 42 ASN QD 2 7 GLU QG 4.300 . 6.000 4.005 2.299 5.635 . 0 0 "[ . 1 . 2]" 1
405 1 42 ASN QD 2 11 LEU QD 4.000 . 5.000 3.654 2.050 4.453 . 0 0 "[ . 1 . 2]" 1
406 1 43 LEU H 2 11 LEU QD 2.500 . 3.000 2.836 2.253 3.005 0.005 17 0 "[ . 1 . 2]" 1
407 1 43 LEU HA 1 44 VAL H 4.000 . 5.000 3.544 3.520 3.562 . 0 0 "[ . 1 . 2]" 1
408 1 43 LEU HA 1 46 TYR QB 2.500 . 3.000 2.537 2.367 2.917 . 0 0 "[ . 1 . 2]" 1
409 1 43 LEU QB 1 45 ALA H 4.000 . 5.000 4.959 4.843 5.002 0.002 11 0 "[ . 1 . 2]" 1
410 1 43 LEU QB 2 11 LEU QD 4.000 . 5.000 2.760 2.317 3.126 . 0 0 "[ . 1 . 2]" 1
411 1 43 LEU HG 2 11 LEU QD 2.500 . 3.000 2.059 1.864 2.509 . 0 0 "[ . 1 . 2]" 1
412 1 44 VAL HA 1 45 ALA H 4.000 . 5.000 3.571 3.569 3.572 . 0 0 "[ . 1 . 2]" 1
413 1 44 VAL HA 1 45 ALA HA 4.000 . 5.000 4.794 4.767 4.824 . 0 0 "[ . 1 . 2]" 1
414 1 44 VAL HA 1 47 ALA H 4.000 . 5.000 3.727 3.598 3.844 . 0 0 "[ . 1 . 2]" 1
415 1 44 VAL HA 1 47 ALA MB 2.500 . 3.000 3.002 2.999 3.003 0.003 10 0 "[ . 1 . 2]" 1
416 1 44 VAL HA 1 48 LYS H 4.300 . 6.000 4.180 3.809 4.559 . 0 0 "[ . 1 . 2]" 1
417 1 44 VAL HB 1 45 ALA H 2.500 . 3.000 2.172 2.151 2.194 . 0 0 "[ . 1 . 2]" 1
418 1 44 VAL HB 1 45 ALA HA 4.000 . 5.000 4.086 4.062 4.119 . 0 0 "[ . 1 . 2]" 1
419 1 44 VAL QG 1 45 ALA H . . 3.000 3.007 3.002 3.014 0.014 10 0 "[ . 1 . 2]" 1
420 1 44 VAL QG 1 45 ALA HA 4.000 . 5.000 3.419 3.382 3.514 . 0 0 "[ . 1 . 2]" 1
421 1 44 VAL QG 1 48 LYS QD 2.500 . 3.000 2.237 1.800 3.006 0.006 13 0 "[ . 1 . 2]" 1
422 1 45 ALA H 1 46 TYR H 2.500 . 3.000 2.737 2.680 2.806 . 0 0 "[ . 1 . 2]" 1
423 1 45 ALA H 1 46 TYR QB 4.000 . 5.000 4.485 4.439 4.536 . 0 0 "[ . 1 . 2]" 1
424 1 45 ALA H 1 48 LYS QB 4.000 . 5.000 4.477 4.269 4.758 . 0 0 "[ . 1 . 2]" 1
425 1 45 ALA HA 1 48 LYS QB 2.500 . 3.000 2.315 2.124 2.498 . 0 0 "[ . 1 . 2]" 1
426 1 45 ALA HA 1 48 LYS QD 2.500 . 3.000 2.660 1.993 3.003 0.003 6 0 "[ . 1 . 2]" 1
427 1 45 ALA HA 1 48 LYS QG 4.000 . 5.000 3.900 3.544 4.426 . 0 0 "[ . 1 . 2]" 1
428 1 45 ALA MB 1 46 TYR QB 4.000 . 5.000 3.927 3.836 4.000 . 0 0 "[ . 1 . 2]" 1
429 1 46 TYR QB 1 47 ALA H 2.500 . 3.000 2.333 2.230 2.467 . 0 0 "[ . 1 . 2]" 1
430 1 46 TYR QD 1 47 ALA H 2.500 . 3.000 2.971 2.802 3.005 0.005 2 0 "[ . 1 . 2]" 1
431 1 46 TYR QD 1 47 ALA HA 4.000 . 5.000 2.838 2.592 3.071 . 0 0 "[ . 1 . 2]" 1
432 1 46 TYR QD 1 47 ALA MB 4.000 . 5.000 3.258 3.120 3.418 . 0 0 "[ . 1 . 2]" 1
433 1 46 TYR QD 1 49 LYS QE 4.000 . 5.000 3.657 2.123 4.991 . 0 0 "[ . 1 . 2]" 1
434 1 46 TYR QD 1 50 VAL QG 2.500 . 3.000 2.937 2.529 3.004 0.004 10 0 "[ . 1 . 2]" 1
435 1 46 TYR QD 2 7 GLU QB 4.000 . 5.000 4.031 2.696 4.738 . 0 0 "[ . 1 . 2]" 1
436 1 46 TYR QD 2 8 LEU QD 4.000 . 5.000 4.235 3.423 5.001 0.001 19 0 "[ . 1 . 2]" 1
437 1 46 TYR QE 1 47 ALA HA 4.000 . 5.000 4.192 4.025 4.301 . 0 0 "[ . 1 . 2]" 1
438 1 46 TYR QE 1 47 ALA MB 4.000 . 5.000 4.713 4.545 4.836 . 0 0 "[ . 1 . 2]" 1
439 1 46 TYR QE 1 49 LYS QE 4.000 . 5.000 4.180 2.999 5.002 0.002 10 0 "[ . 1 . 2]" 1
440 1 46 TYR QE 1 50 VAL QG . . 3.000 2.666 2.385 2.857 . 0 0 "[ . 1 . 2]" 1
441 1 46 TYR QE 1 75 ILE QG 4.000 . 5.000 4.655 3.887 5.001 0.001 1 0 "[ . 1 . 2]" 1
442 1 46 TYR QE 2 5 ASP QB 4.300 . 6.000 4.857 2.796 6.000 0.000 4 0 "[ . 1 . 2]" 1
443 1 46 TYR QE 2 7 GLU QB 4.000 . 5.000 4.320 3.361 5.000 0.000 17 0 "[ . 1 . 2]" 1
444 1 46 TYR QE 2 8 LEU H 4.300 . 6.000 4.396 3.241 5.341 . 0 0 "[ . 1 . 2]" 1
445 1 46 TYR QE 2 8 LEU QB 4.000 . 5.000 3.561 2.574 4.790 . 0 0 "[ . 1 . 2]" 1
446 1 46 TYR QE 2 8 LEU QD 4.000 . 5.000 2.836 2.109 3.374 . 0 0 "[ . 1 . 2]" 1
447 1 47 ALA H 1 48 LYS H 2.500 . 3.000 2.609 2.476 2.716 . 0 0 "[ . 1 . 2]" 1
448 1 47 ALA HA 1 48 LYS H 4.000 . 5.000 3.490 3.479 3.541 . 0 0 "[ . 1 . 2]" 1
449 1 47 ALA HA 1 49 LYS H 4.000 . 5.000 4.140 3.961 4.288 . 0 0 "[ . 1 . 2]" 1
450 1 47 ALA HA 1 50 VAL HB 2.500 . 3.000 2.821 2.575 3.006 0.006 18 0 "[ . 1 . 2]" 1
451 1 47 ALA HA 1 50 VAL QG 2.500 . 3.000 2.826 2.619 3.003 0.003 14 0 "[ . 1 . 2]" 1
452 1 47 ALA HA 1 51 GLU H 4.000 . 5.000 3.455 3.207 3.720 . 0 0 "[ . 1 . 2]" 1
453 1 47 ALA MB 1 48 LYS H 2.500 . 3.000 2.821 2.599 2.890 . 0 0 "[ . 1 . 2]" 1
454 1 47 ALA MB 1 50 VAL QG 4.000 . 5.000 3.981 3.830 4.116 . 0 0 "[ . 1 . 2]" 1
455 1 48 LYS H 1 49 LYS H 2.500 . 3.000 2.592 2.520 2.662 . 0 0 "[ . 1 . 2]" 1
456 1 48 LYS H 1 51 GLU QB 4.300 . 6.000 5.170 4.935 5.473 . 0 0 "[ . 1 . 2]" 1
457 1 48 LYS QB 1 49 LYS H 2.500 . 3.000 2.795 2.710 2.882 . 0 0 "[ . 1 . 2]" 1
458 1 48 LYS QG 1 49 LYS H 4.000 . 5.000 4.412 4.253 4.600 . 0 0 "[ . 1 . 2]" 1
459 1 49 LYS H 1 50 VAL H 2.500 . 3.000 2.459 2.405 2.573 . 0 0 "[ . 1 . 2]" 1
460 1 49 LYS H 1 50 VAL QG 4.000 . 5.000 3.821 3.772 3.919 . 0 0 "[ . 1 . 2]" 1
461 1 49 LYS HA 1 51 GLU QG 4.000 . 5.000 4.225 4.074 4.395 . 0 0 "[ . 1 . 2]" 1
462 1 49 LYS HA 1 53 ASP H 4.000 . 5.000 4.704 4.425 4.900 . 0 0 "[ . 1 . 2]" 1
463 1 50 VAL HA 1 53 ASP H 4.000 . 5.000 3.153 3.093 3.228 . 0 0 "[ . 1 . 2]" 1
464 1 50 VAL HA 1 53 ASP HA 4.000 . 5.000 5.045 5.039 5.052 0.052 15 0 "[ . 1 . 2]" 1
465 1 50 VAL HA 1 53 ASP QB 2.500 . 3.000 2.275 2.111 2.486 . 0 0 "[ . 1 . 2]" 1
466 1 50 VAL HB 1 51 GLU H 2.500 . 3.000 2.448 2.284 2.565 . 0 0 "[ . 1 . 2]" 1
467 1 50 VAL QG 1 51 GLU HA 4.000 . 5.000 3.606 3.455 3.712 . 0 0 "[ . 1 . 2]" 1
468 1 50 VAL QG 1 54 MET ME 2.500 . 3.000 2.405 1.797 2.987 0.003 10 0 "[ . 1 . 2]" 1
469 1 50 VAL QG 1 71 LYS QD 4.000 . 5.000 3.258 2.250 4.937 . 0 0 "[ . 1 . 2]" 1
470 1 51 GLU H 1 52 GLY H 2.500 . 3.000 2.856 2.820 2.896 . 0 0 "[ . 1 . 2]" 1
471 1 51 GLU HA 1 54 MET HA 4.000 . 5.000 5.038 5.034 5.047 0.047 18 0 "[ . 1 . 2]" 1
472 1 51 GLU HA 1 54 MET QB 4.000 . 5.000 2.342 2.208 2.724 . 0 0 "[ . 1 . 2]" 1
473 1 51 GLU HA 1 54 MET ME 4.000 . 5.000 4.778 4.105 5.003 0.003 1 0 "[ . 1 . 2]" 1
474 1 51 GLU HA 1 54 MET QG 4.000 . 5.000 3.013 2.027 4.129 . 0 0 "[ . 1 . 2]" 1
475 1 51 GLU HA 1 64 TYR QE 4.000 . 5.000 4.411 3.586 5.009 0.009 20 0 "[ . 1 . 2]" 1
476 1 51 GLU QB 1 52 GLY H 4.000 . 5.000 3.332 3.232 3.384 . 0 0 "[ . 1 . 2]" 1
477 1 51 GLU QB 1 54 MET QB 4.000 . 5.000 3.837 3.762 3.948 . 0 0 "[ . 1 . 2]" 1
478 1 51 GLU QG 1 52 GLY H 4.000 . 5.000 1.970 1.933 2.012 . 0 0 "[ . 1 . 2]" 1
479 1 51 GLU QG 1 52 GLY QA 4.000 . 5.000 3.316 2.892 3.680 . 0 0 "[ . 1 . 2]" 1
480 1 52 GLY H 1 53 ASP QB 4.300 . 6.000 4.365 4.320 4.526 . 0 0 "[ . 1 . 2]" 1
481 1 52 GLY QA 1 53 ASP H 4.000 . 5.000 2.773 2.762 2.792 . 0 0 "[ . 1 . 2]" 1
482 1 52 GLY QA 1 55 TYR H 4.000 . 5.000 3.487 3.355 3.618 . 0 0 "[ . 1 . 2]" 1
483 1 52 GLY QA 1 55 TYR QB 4.000 . 5.000 2.985 2.665 3.234 . 0 0 "[ . 1 . 2]" 1
484 1 52 GLY QA 1 55 TYR QD 4.000 . 5.000 4.682 4.092 5.005 0.005 3 0 "[ . 1 . 2]" 1
485 1 52 GLY QA 1 56 GLU QG 4.000 . 5.000 4.298 3.801 5.001 0.001 11 0 "[ . 1 . 2]" 1
486 1 53 ASP H 1 54 MET H 2.500 . 3.000 2.370 2.354 2.430 . 0 0 "[ . 1 . 2]" 1
487 1 53 ASP H 1 54 MET HA 4.300 . 6.000 5.015 4.996 5.053 . 0 0 "[ . 1 . 2]" 1
488 1 53 ASP HA 1 54 MET H 4.000 . 5.000 3.474 3.464 3.486 . 0 0 "[ . 1 . 2]" 1
489 1 53 ASP HA 1 54 MET ME 4.000 . 5.000 4.763 3.994 5.003 0.003 15 0 "[ . 1 . 2]" 1
490 1 53 ASP HA 1 56 GLU H 4.000 . 5.000 3.601 3.230 3.962 . 0 0 "[ . 1 . 2]" 1
491 1 53 ASP HA 1 56 GLU QB . . 3.000 2.925 2.818 3.010 0.010 10 0 "[ . 1 . 2]" 1
492 1 53 ASP HA 1 56 GLU QG 4.000 . 5.000 3.756 2.431 4.887 . 0 0 "[ . 1 . 2]" 1
493 1 53 ASP HA 1 57 SER H 4.000 . 5.000 4.306 3.943 4.660 . 0 0 "[ . 1 . 2]" 1
494 1 53 ASP HA 1 57 SER QB 4.000 . 5.000 4.973 4.893 5.010 0.010 18 0 "[ . 1 . 2]" 1
495 1 53 ASP QB 1 54 MET ME 4.000 . 5.000 2.902 2.308 3.378 . 0 0 "[ . 1 . 2]" 1
496 1 54 MET H 1 55 TYR H 2.500 . 3.000 2.540 2.387 2.644 . 0 0 "[ . 1 . 2]" 1
497 1 54 MET HA 1 64 TYR QD 4.000 . 5.000 4.525 3.817 5.007 0.007 20 0 "[ . 1 . 2]" 1
498 1 54 MET HA 1 67 LEU QD 2.500 . 3.000 2.721 2.233 3.006 0.006 17 0 "[ . 1 . 2]" 1
499 1 54 MET QB 1 55 TYR H 4.000 . 5.000 2.665 2.422 2.848 . 0 0 "[ . 1 . 2]" 1
500 1 54 MET QB 1 64 TYR QD 4.000 . 5.000 3.272 2.293 4.138 . 0 0 "[ . 1 . 2]" 1
501 1 54 MET ME 1 71 LYS QG 2.500 . 3.000 2.748 2.087 3.003 0.003 1 0 "[ . 1 . 2]" 1
502 1 54 MET QG 1 55 TYR H 4.300 . 6.000 4.256 3.966 4.652 . 0 0 "[ . 1 . 2]" 1
503 1 55 TYR H 1 56 GLU H 2.500 . 3.000 2.651 2.429 2.877 . 0 0 "[ . 1 . 2]" 1
504 1 55 TYR H 1 57 SER H 4.000 . 5.000 4.057 3.789 4.209 . 0 0 "[ . 1 . 2]" 1
505 1 55 TYR H 1 64 TYR QD 4.000 . 5.000 4.469 4.024 4.918 . 0 0 "[ . 1 . 2]" 1
506 1 55 TYR H 1 64 TYR QE 4.000 . 5.000 3.300 2.954 3.794 . 0 0 "[ . 1 . 2]" 1
507 1 55 TYR HA 1 58 ALA MB 4.000 . 5.000 3.599 3.278 4.102 . 0 0 "[ . 1 . 2]" 1
508 1 55 TYR HA 1 64 TYR QD 2.500 . 3.000 2.806 2.442 3.026 0.026 15 0 "[ . 1 . 2]" 1
509 1 55 TYR QB 1 56 GLU H 4.000 . 5.000 2.683 2.318 3.061 . 0 0 "[ . 1 . 2]" 1
510 1 55 TYR QB 1 56 GLU QG 4.000 . 5.000 3.581 2.902 4.291 . 0 0 "[ . 1 . 2]" 1
511 1 55 TYR QB 1 64 TYR QD 4.000 . 5.000 4.294 4.134 4.480 . 0 0 "[ . 1 . 2]" 1
512 1 55 TYR QD 1 56 GLU H 4.000 . 5.000 3.313 2.314 4.189 . 0 0 "[ . 1 . 2]" 1
513 1 55 TYR QD 1 56 GLU HA 4.000 . 5.000 3.002 2.408 3.764 . 0 0 "[ . 1 . 2]" 1
514 1 55 TYR QD 1 56 GLU QG 2.500 . 3.000 2.841 2.005 3.011 0.011 16 0 "[ . 1 . 2]" 1
515 1 55 TYR QD 1 64 TYR QD 4.000 . 5.000 4.014 3.523 4.301 . 0 0 "[ . 1 . 2]" 1
516 1 55 TYR QD 1 64 TYR QE 4.000 . 5.000 3.407 2.720 3.778 . 0 0 "[ . 1 . 2]" 1
517 1 55 TYR QE 1 56 GLU QG 4.000 . 5.000 4.287 2.928 5.023 0.023 10 0 "[ . 1 . 2]" 1
518 1 55 TYR QE 1 64 TYR QE 4.000 . 5.000 4.723 4.142 5.021 0.021 10 0 "[ . 1 . 2]" 1
519 1 56 GLU H 1 57 SER QB 4.000 . 5.000 4.318 3.984 4.711 . 0 0 "[ . 1 . 2]" 1
520 1 56 GLU QB 1 57 SER H 2.500 . 3.000 2.847 2.699 3.005 0.005 10 0 "[ . 1 . 2]" 1
521 1 56 GLU QB 1 58 ALA H 4.000 . 5.000 4.718 4.453 5.027 0.027 15 0 "[ . 1 . 2]" 1
522 1 56 GLU QG 1 57 SER H 4.000 . 5.000 4.258 3.855 4.559 . 0 0 "[ . 1 . 2]" 1
523 1 57 SER H 1 58 ALA MB 4.000 . 5.000 4.380 4.123 4.562 . 0 0 "[ . 1 . 2]" 1
524 1 57 SER QB 1 58 ALA H 2.500 . 3.000 2.761 2.298 3.009 0.009 18 0 "[ . 1 . 2]" 1
525 1 58 ALA H 1 59 ASN H 4.000 . 5.000 4.499 4.455 4.534 . 0 0 "[ . 1 . 2]" 1
526 1 58 ALA H 1 60 SER H 4.000 . 5.000 5.005 4.865 5.060 0.060 3 0 "[ . 1 . 2]" 1
527 1 58 ALA H 1 67 LEU QD 4.000 . 5.000 2.775 2.399 3.309 . 0 0 "[ . 1 . 2]" 1
528 1 58 ALA HA 1 59 ASN H 2.500 . 3.000 2.118 2.092 2.142 . 0 0 "[ . 1 . 2]" 1
529 1 58 ALA HA 1 59 ASN HA 4.000 . 5.000 4.335 4.326 4.344 . 0 0 "[ . 1 . 2]" 1
530 1 58 ALA HA 1 59 ASN QB 4.000 . 5.000 4.502 4.356 4.638 . 0 0 "[ . 1 . 2]" 1
531 1 58 ALA HA 1 60 SER H 2.500 . 3.000 3.213 3.188 3.227 0.227 6 0 "[ . 1 . 2]" 1
532 1 58 ALA HA 1 63 GLU QB 4.000 . 5.000 2.823 2.319 3.036 . 0 0 "[ . 1 . 2]" 1
533 1 58 ALA HA 1 63 GLU QG 4.000 . 5.000 2.081 1.865 2.495 . 0 0 "[ . 1 . 2]" 1
534 1 58 ALA HA 1 67 LEU QD 2.500 . 3.000 2.946 2.475 3.028 0.028 2 0 "[ . 1 . 2]" 1
535 1 58 ALA MB 1 59 ASN H 2.500 . 3.000 3.052 3.000 3.100 0.100 4 0 "[ . 1 . 2]" 1
536 1 58 ALA MB 1 59 ASN HA 4.000 . 5.000 4.153 4.019 4.304 . 0 0 "[ . 1 . 2]" 1
537 1 58 ALA MB 1 60 SER H 2.500 . 3.000 2.457 2.281 2.552 . 0 0 "[ . 1 . 2]" 1
538 1 58 ALA MB 1 61 ARG HA 4.000 . 5.000 4.067 3.857 4.323 . 0 0 "[ . 1 . 2]" 1
539 1 58 ALA MB 1 63 GLU H 4.000 . 5.000 3.731 3.552 3.970 . 0 0 "[ . 1 . 2]" 1
540 1 58 ALA MB 1 63 GLU QB 2.500 . 3.000 1.968 1.886 2.143 . 0 0 "[ . 1 . 2]" 1
541 1 58 ALA MB 1 63 GLU QG 2.500 . 3.000 2.475 2.124 3.002 0.002 10 0 "[ . 1 . 2]" 1
542 1 58 ALA MB 1 64 TYR H 2.500 . 3.000 2.297 2.153 2.423 . 0 0 "[ . 1 . 2]" 1
543 1 58 ALA MB 1 64 TYR QB 4.000 . 5.000 1.999 1.867 2.258 . 0 0 "[ . 1 . 2]" 1
544 1 58 ALA MB 1 64 TYR QD 4.000 . 5.000 2.832 2.616 3.058 . 0 0 "[ . 1 . 2]" 1
545 1 58 ALA MB 1 64 TYR QE 4.000 . 5.000 4.665 4.524 4.902 . 0 0 "[ . 1 . 2]" 1
546 1 58 ALA MB 1 67 LEU QD 2.500 . 3.000 2.191 1.796 2.999 0.004 10 0 "[ . 1 . 2]" 1
547 1 59 ASN H 1 60 SER H 2.500 . 3.000 2.201 2.035 2.356 . 0 0 "[ . 1 . 2]" 1
548 1 59 ASN H 1 63 GLU HA 4.300 . 6.000 5.833 5.528 6.002 0.002 15 0 "[ . 1 . 2]" 1
549 1 59 ASN H 1 63 GLU QB 4.000 . 5.000 2.956 2.744 3.178 . 0 0 "[ . 1 . 2]" 1
550 1 59 ASN H 1 63 GLU QG 4.300 . 6.000 2.965 2.293 3.442 . 0 0 "[ . 1 . 2]" 1
551 1 59 ASN H 1 67 LEU QD 4.300 . 6.000 4.590 4.118 4.738 . 0 0 "[ . 1 . 2]" 1
552 1 59 ASN HA 1 60 SER H 4.000 . 5.000 3.210 3.153 3.295 . 0 0 "[ . 1 . 2]" 1
553 1 59 ASN QB 1 60 SER H 4.000 . 5.000 3.691 3.310 3.922 . 0 0 "[ . 1 . 2]" 1
554 1 60 SER H 1 61 ARG H 4.300 . 6.000 4.385 4.346 4.415 . 0 0 "[ . 1 . 2]" 1
555 1 60 SER H 1 63 GLU H 4.000 . 5.000 4.084 3.832 4.288 . 0 0 "[ . 1 . 2]" 1
556 1 60 SER H 1 63 GLU QB 2.500 . 3.000 2.557 2.337 2.787 . 0 0 "[ . 1 . 2]" 1
557 1 60 SER H 1 63 GLU QG 4.000 . 5.000 3.831 3.359 4.150 . 0 0 "[ . 1 . 2]" 1
558 1 60 SER H 1 64 TYR H 4.000 . 5.000 3.991 3.703 4.226 . 0 0 "[ . 1 . 2]" 1
559 1 60 SER HA 1 61 ARG H 2.500 . 3.000 2.496 2.324 2.682 . 0 0 "[ . 1 . 2]" 1
560 1 60 SER HA 1 62 ASP H 4.000 . 5.000 4.734 4.064 5.006 0.006 5 0 "[ . 1 . 2]" 1
561 1 60 SER HA 1 63 GLU QB 4.000 . 5.000 4.629 4.311 4.925 . 0 0 "[ . 1 . 2]" 1
562 1 61 ARG H 1 62 ASP H . . 3.000 2.712 2.539 2.866 . 0 0 "[ . 1 . 2]" 1
563 1 61 ARG H 1 62 ASP QB 4.300 . 6.000 4.469 4.254 4.754 . 0 0 "[ . 1 . 2]" 1
564 1 61 ARG HA 1 64 TYR QB 4.000 . 5.000 2.658 2.262 3.280 . 0 0 "[ . 1 . 2]" 1
565 1 61 ARG HA 1 64 TYR QD 4.000 . 5.000 3.768 3.335 4.651 . 0 0 "[ . 1 . 2]" 1
566 1 61 ARG QB 1 64 TYR QB 4.000 . 5.000 4.399 4.066 4.860 . 0 0 "[ . 1 . 2]" 1
567 1 61 ARG QD 1 65 TYR QE 4.000 . 5.000 4.121 3.027 5.002 0.002 19 0 "[ . 1 . 2]" 1
568 1 61 ARG QG 1 64 TYR QD 4.000 . 5.000 3.824 2.992 5.010 0.010 13 0 "[ . 1 . 2]" 1
569 1 61 ARG QG 1 65 TYR QD 4.000 . 5.000 3.907 2.331 5.003 0.003 18 0 "[ . 1 . 2]" 1
570 1 62 ASP H 1 63 GLU H 2.500 . 3.000 2.865 2.729 3.004 0.004 10 0 "[ . 1 . 2]" 1
571 1 62 ASP H 1 65 TYR QB 4.000 . 5.000 4.975 4.722 5.019 0.019 2 0 "[ . 1 . 2]" 1
572 1 62 ASP HA 1 63 GLU H 4.000 . 5.000 3.552 3.484 3.568 . 0 0 "[ . 1 . 2]" 1
573 1 62 ASP HA 1 64 TYR H 4.000 . 5.000 4.298 3.900 4.625 . 0 0 "[ . 1 . 2]" 1
574 1 62 ASP HA 1 65 TYR H 4.000 . 5.000 3.477 3.248 3.632 . 0 0 "[ . 1 . 2]" 1
575 1 62 ASP HA 1 65 TYR QB 4.000 . 5.000 2.897 2.597 3.188 . 0 0 "[ . 1 . 2]" 1
576 1 62 ASP HA 1 65 TYR QD 4.000 . 5.000 4.285 2.741 5.004 0.004 18 0 "[ . 1 . 2]" 1
577 1 62 ASP QB 1 63 GLU H 2.500 . 3.000 2.467 2.245 2.825 . 0 0 "[ . 1 . 2]" 1
578 1 62 ASP QB 1 63 GLU HA 4.000 . 5.000 3.834 3.763 3.968 . 0 0 "[ . 1 . 2]" 1
579 1 63 GLU H 1 64 TYR H . . 3.000 2.687 2.577 2.886 . 0 0 "[ . 1 . 2]" 1
580 1 63 GLU H 1 66 HIS QB 4.300 . 6.000 4.842 4.335 5.312 . 0 0 "[ . 1 . 2]" 1
581 1 63 GLU HA 1 66 HIS QB 2.500 . 3.000 2.616 1.979 3.003 0.003 13 0 "[ . 1 . 2]" 1
582 1 63 GLU QB 1 64 TYR H 2.500 . 3.000 2.657 2.358 2.939 . 0 0 "[ . 1 . 2]" 1
583 1 63 GLU QG 1 64 TYR H 4.000 . 5.000 3.766 3.554 4.016 . 0 0 "[ . 1 . 2]" 1
584 1 64 TYR H 1 65 TYR H 4.000 . 5.000 2.628 2.451 2.844 . 0 0 "[ . 1 . 2]" 1
585 1 64 TYR H 1 65 TYR QB 4.000 . 5.000 4.350 4.167 4.585 . 0 0 "[ . 1 . 2]" 1
586 1 64 TYR QB 1 65 TYR H 4.000 . 5.000 2.706 2.504 2.870 . 0 0 "[ . 1 . 2]" 1
587 1 64 TYR QD 1 65 TYR H 4.000 . 5.000 4.112 3.826 4.315 . 0 0 "[ . 1 . 2]" 1
588 1 64 TYR QE 1 68 LEU QD 2.500 . 3.000 2.588 1.890 2.993 . 0 0 "[ . 1 . 2]" 1
589 1 65 TYR HA 1 68 LEU QD 4.000 . 5.000 3.397 2.819 4.192 . 0 0 "[ . 1 . 2]" 1
590 1 65 TYR HA 1 69 ALA H 4.300 . 6.000 4.423 3.964 4.794 . 0 0 "[ . 1 . 2]" 1
591 1 65 TYR QB 1 66 HIS H 4.000 . 5.000 2.810 2.384 3.001 . 0 0 "[ . 1 . 2]" 1
592 1 65 TYR QD 1 68 LEU QB 4.000 . 5.000 4.338 3.713 5.004 0.004 5 0 "[ . 1 . 2]" 1
593 1 65 TYR QD 1 68 LEU QD 4.000 . 5.000 4.085 3.138 4.891 . 0 0 "[ . 1 . 2]" 1
594 1 65 TYR QD 1 69 ALA MB 4.000 . 5.000 4.330 3.566 4.955 . 0 0 "[ . 1 . 2]" 1
595 1 66 HIS H 1 67 LEU H 2.500 . 3.000 2.617 2.414 2.741 . 0 0 "[ . 1 . 2]" 1
596 1 66 HIS HA 1 67 LEU H 4.000 . 5.000 3.557 3.488 3.584 . 0 0 "[ . 1 . 2]" 1
597 1 66 HIS HA 1 69 ALA H 4.000 . 5.000 3.556 3.336 3.724 . 0 0 "[ . 1 . 2]" 1
598 1 66 HIS HA 1 69 ALA MB 2.500 . 3.000 2.843 2.573 3.002 0.002 1 0 "[ . 1 . 2]" 1
599 1 66 HIS QB 1 67 LEU H 2.500 . 3.000 2.431 2.195 2.860 . 0 0 "[ . 1 . 2]" 1
600 1 67 LEU H 1 68 LEU H 4.000 . 5.000 2.710 2.573 2.963 . 0 0 "[ . 1 . 2]" 1
601 1 67 LEU QD 1 68 LEU QB 2.500 . 3.000 2.661 2.096 3.016 0.016 2 0 "[ . 1 . 2]" 1
602 1 68 LEU H 1 69 ALA H . . 3.000 2.620 2.460 2.769 . 0 0 "[ . 1 . 2]" 1
603 1 68 LEU QD 1 69 ALA H 4.000 . 5.000 3.565 2.790 4.176 . 0 0 "[ . 1 . 2]" 1
604 1 68 LEU HG 1 69 ALA H 4.300 . 6.000 4.607 3.964 5.141 . 0 0 "[ . 1 . 2]" 1
605 1 69 ALA HA 1 70 GLU H 4.000 . 5.000 3.519 3.452 3.559 . 0 0 "[ . 1 . 2]" 1
606 1 69 ALA HA 1 72 ILE H 4.000 . 5.000 3.579 3.306 3.716 . 0 0 "[ . 1 . 2]" 1
607 1 69 ALA HA 1 72 ILE HB 2.500 . 3.000 2.996 2.863 3.012 0.012 8 0 "[ . 1 . 2]" 1
608 1 69 ALA HA 1 72 ILE MD 4.000 . 5.000 3.022 2.098 5.002 0.002 4 0 "[ . 1 . 2]" 1
609 1 69 ALA MB 1 70 GLU H 2.500 . 3.000 2.702 2.461 2.989 . 0 0 "[ . 1 . 2]" 1
610 1 70 GLU H 1 71 LYS H 2.500 . 3.000 2.729 2.534 2.780 . 0 0 "[ . 1 . 2]" 1
611 1 70 GLU HA 1 73 TYR QD 4.000 . 5.000 2.832 2.745 3.045 . 0 0 "[ . 1 . 2]" 1
612 1 70 GLU HA 1 73 TYR QE 4.000 . 5.000 5.010 5.007 5.013 0.013 20 0 "[ . 1 . 2]" 1
613 1 70 GLU QG 1 73 TYR QD 4.000 . 5.000 3.331 2.854 3.800 . 0 0 "[ . 1 . 2]" 1
614 1 70 GLU QG 1 73 TYR QE 4.000 . 5.000 4.662 4.184 4.936 . 0 0 "[ . 1 . 2]" 1
615 1 71 LYS H 1 72 ILE H . . 3.000 2.767 2.421 2.849 . 0 0 "[ . 1 . 2]" 1
616 1 71 LYS HA 1 72 ILE H 4.000 . 5.000 3.565 3.540 3.569 . 0 0 "[ . 1 . 2]" 1
617 1 71 LYS HA 1 74 LYS H 4.000 . 5.000 3.648 3.254 3.877 . 0 0 "[ . 1 . 2]" 1
618 1 71 LYS HA 1 75 ILE MD 2.500 . 3.000 2.911 2.676 3.062 0.062 20 0 "[ . 1 . 2]" 1
619 1 71 LYS QE 1 75 ILE MD 2.500 . 3.000 2.569 1.809 3.004 0.004 13 0 "[ . 1 . 2]" 1
620 1 72 ILE H 1 73 TYR H . . 3.000 2.615 2.565 2.720 . 0 0 "[ . 1 . 2]" 1
621 1 72 ILE HA 1 73 TYR H 4.000 . 5.000 3.492 3.476 3.528 . 0 0 "[ . 1 . 2]" 1
622 1 72 ILE HA 1 75 ILE H 4.000 . 5.000 3.757 3.447 4.000 . 0 0 "[ . 1 . 2]" 1
623 1 72 ILE HA 1 75 ILE MD 2.500 . 3.000 2.576 1.916 2.877 . 0 0 "[ . 1 . 2]" 1
624 1 72 ILE QG 1 73 TYR HA 4.000 . 5.000 3.709 2.961 3.837 . 0 0 "[ . 1 . 2]" 1
625 1 72 ILE QG 1 73 TYR QB 4.000 . 5.000 4.232 2.799 4.394 . 0 0 "[ . 1 . 2]" 1
626 1 72 ILE QG 1 76 GLN QE 2.500 . 3.000 2.542 1.902 2.996 . 0 0 "[ . 1 . 2]" 1
627 1 72 ILE QG 1 76 GLN QG 2.500 . 3.000 2.230 1.853 2.568 . 0 0 "[ . 1 . 2]" 1
628 1 73 TYR H 1 75 ILE H 4.300 . 6.000 4.072 3.960 4.422 . 0 0 "[ . 1 . 2]" 1
629 1 73 TYR HA 1 74 LYS H 4.000 . 5.000 3.554 3.497 3.572 . 0 0 "[ . 1 . 2]" 1
630 1 73 TYR HA 1 76 GLN H 4.000 . 5.000 3.649 3.456 3.993 . 0 0 "[ . 1 . 2]" 1
631 1 73 TYR HA 1 76 GLN QB 2.500 . 3.000 2.543 2.329 3.003 0.003 20 0 "[ . 1 . 2]" 1
632 1 73 TYR QB 1 74 LYS H 2.500 . 3.000 2.543 2.343 3.001 0.001 8 0 "[ . 1 . 2]" 1
633 1 73 TYR QD 1 74 LYS H 4.000 . 5.000 3.382 2.666 3.858 . 0 0 "[ . 1 . 2]" 1
634 1 73 TYR QD 1 74 LYS HA 4.000 . 5.000 3.948 3.337 4.239 . 0 0 "[ . 1 . 2]" 1
635 1 73 TYR QD 1 74 LYS QB 4.000 . 5.000 3.829 3.661 4.147 . 0 0 "[ . 1 . 2]" 1
636 1 73 TYR QD 1 74 LYS QG 4.000 . 5.000 4.469 2.319 5.001 0.001 16 0 "[ . 1 . 2]" 1
637 1 73 TYR QD 1 77 LYS QD 4.000 . 5.000 3.615 2.956 4.438 . 0 0 "[ . 1 . 2]" 1
638 1 73 TYR QD 1 77 LYS QE 4.000 . 5.000 4.250 3.304 5.000 0.000 10 0 "[ . 1 . 2]" 1
639 1 73 TYR QD 1 77 LYS QG 4.300 . 5.000 4.351 3.556 5.000 . 0 0 "[ . 1 . 2]" 1
640 1 73 TYR QE 1 74 LYS QB 4.000 . 5.000 4.991 4.868 5.006 0.006 15 0 "[ . 1 . 2]" 1
641 1 73 TYR QE 1 77 LYS QB 4.000 . 5.000 4.836 3.878 5.002 0.002 17 0 "[ . 1 . 2]" 1
642 1 73 TYR QE 1 77 LYS QD 2.500 . 3.000 2.848 2.148 3.003 0.003 19 0 "[ . 1 . 2]" 1
643 1 73 TYR QE 1 77 LYS QE 4.000 . 5.000 3.067 2.122 4.394 . 0 0 "[ . 1 . 2]" 1
644 1 73 TYR QE 1 77 LYS QG 4.000 . 5.000 3.968 3.384 4.945 . 0 0 "[ . 1 . 2]" 1
645 1 74 LYS H 1 75 ILE H . . 3.000 2.675 2.506 2.809 . 0 0 "[ . 1 . 2]" 1
646 1 74 LYS HA 1 75 ILE H 4.000 . 5.000 3.552 3.543 3.569 . 0 0 "[ . 1 . 2]" 1
647 1 74 LYS HA 1 77 LYS QG 4.000 . 5.000 4.042 2.357 5.001 0.001 14 0 "[ . 1 . 2]" 1
648 1 74 LYS QG 1 75 ILE H 4.000 . 5.000 3.868 1.950 4.440 . 0 0 "[ . 1 . 2]" 1
649 1 75 ILE H 1 76 GLN H . . 3.000 2.592 2.524 2.707 . 0 0 "[ . 1 . 2]" 1
650 1 75 ILE H 1 76 GLN QB 4.300 . 6.000 4.335 4.230 4.501 . 0 0 "[ . 1 . 2]" 1
651 1 75 ILE HA 1 76 GLN H 4.000 . 5.000 3.500 3.489 3.547 . 0 0 "[ . 1 . 2]" 1
652 1 75 ILE HB 1 76 GLN HA 4.000 . 5.000 4.192 4.138 4.563 . 0 0 "[ . 1 . 2]" 1
653 1 75 ILE QG 2 8 LEU QD 4.000 . 5.000 2.875 2.110 4.133 . 0 0 "[ . 1 . 2]" 1
654 1 76 GLN H 1 77 LYS H 2.500 . 3.000 2.726 2.594 2.866 . 0 0 "[ . 1 . 2]" 1
655 1 76 GLN H 1 77 LYS QB 4.000 . 5.000 4.671 4.336 5.011 0.011 20 0 "[ . 1 . 2]" 1
656 1 76 GLN H 1 78 GLU H 4.000 . 5.000 3.938 3.769 4.138 . 0 0 "[ . 1 . 2]" 1
657 1 76 GLN QB 1 77 LYS QB 4.000 . 5.000 4.172 3.764 4.509 . 0 0 "[ . 1 . 2]" 1
658 1 77 LYS H 1 78 GLU H 2.500 . 3.000 2.485 2.426 2.664 . 0 0 "[ . 1 . 2]" 1
659 1 78 GLU H 1 79 LEU H 2.500 . 3.000 2.654 2.558 2.792 . 0 0 "[ . 1 . 2]" 1
660 1 78 GLU QB 2 12 LEU QD 2.500 . 3.000 2.475 1.947 3.001 0.001 18 0 "[ . 1 . 2]" 1
661 1 78 GLU QG 2 12 LEU QD 4.000 . 5.000 3.664 2.395 4.393 . 0 0 "[ . 1 . 2]" 1
662 1 79 LEU H 1 80 GLU H . . 3.000 2.708 2.665 2.891 . 0 0 "[ . 1 . 2]" 1
663 1 79 LEU H 1 81 GLU H 4.300 . 6.000 4.179 3.885 4.353 . 0 0 "[ . 1 . 2]" 1
664 1 79 LEU H 1 82 LYS H 4.300 . 6.000 5.067 4.810 5.318 . 0 0 "[ . 1 . 2]" 1
665 1 79 LEU H 2 12 LEU QD 2.500 . 3.000 2.948 2.677 3.005 0.005 13 0 "[ . 1 . 2]" 1
666 1 79 LEU QD 1 80 GLU H 4.000 . 5.000 3.775 2.752 4.285 . 0 0 "[ . 1 . 2]" 1
667 1 79 LEU QD 2 16 ALA MB 2.500 . 3.000 2.609 1.944 3.000 . 0 0 "[ . 1 . 2]" 1
668 1 79 LEU HG 1 80 GLU H 4.000 . 5.000 4.521 2.173 5.000 . 10 0 "[ . 1 . 2]" 1
669 1 80 GLU H 1 82 LYS H 4.000 . 5.000 4.102 3.949 4.232 . 0 0 "[ . 1 . 2]" 1
670 1 81 GLU H 1 82 LYS H 2.500 . 3.000 2.559 2.361 2.669 . 0 0 "[ . 1 . 2]" 1
671 1 81 GLU H 1 82 LYS QB 4.000 . 5.000 4.436 4.180 4.836 . 0 0 "[ . 1 . 2]" 1
672 1 81 GLU H 1 82 LYS QG 4.000 . 5.000 4.585 3.865 5.000 0.000 6 0 "[ . 1 . 2]" 1
673 1 81 GLU H 1 83 ARG H 4.000 . 5.000 4.145 3.904 4.437 . 0 0 "[ . 1 . 2]" 1
674 1 81 GLU QG 1 82 LYS H 4.000 . 5.000 4.338 4.044 4.668 . 0 0 "[ . 1 . 2]" 1
675 1 81 GLU QG 1 84 ARG QD . . 3.000 2.757 2.287 3.004 0.004 4 0 "[ . 1 . 2]" 1
676 1 82 LYS H 1 83 ARG H 2.500 . 3.000 2.587 2.421 2.778 . 0 0 "[ . 1 . 2]" 1
677 1 82 LYS H 1 85 SER H 4.300 . 6.000 4.873 4.654 5.240 . 0 0 "[ . 1 . 2]" 1
678 1 82 LYS H 2 12 LEU QD 4.000 . 5.000 3.739 2.894 4.538 . 0 0 "[ . 1 . 2]" 1
679 1 82 LYS H 2 16 ALA MB 4.000 . 5.000 4.487 4.052 5.001 0.001 18 0 "[ . 1 . 2]" 1
680 1 82 LYS QB 2 16 ALA MB 4.000 . 5.000 2.412 1.864 3.233 . 0 0 "[ . 1 . 2]" 1
681 1 82 LYS QD 2 12 LEU QB 2.500 . 3.000 2.448 1.938 3.001 0.001 10 0 "[ . 1 . 2]" 1
682 1 82 LYS QD 2 12 LEU QD 4.000 . 5.000 3.263 1.952 3.856 . 0 0 "[ . 1 . 2]" 1
683 1 82 LYS QD 2 13 ASP QB 2.500 . 3.000 2.778 2.154 3.002 0.002 4 0 "[ . 1 . 2]" 1
684 1 82 LYS QE 2 9 SER HA 2.500 . 3.000 2.655 1.960 3.002 0.002 19 0 "[ . 1 . 2]" 1
685 1 83 ARG H 1 84 ARG H 2.500 . 3.000 2.637 2.470 2.787 . 0 0 "[ . 1 . 2]" 1
686 1 83 ARG H 1 85 SER H 4.000 . 5.000 3.774 3.650 3.983 . 0 0 "[ . 1 . 2]" 1
687 1 83 ARG H 2 16 ALA MB 4.000 . 5.000 3.606 2.982 4.496 . 0 0 "[ . 1 . 2]" 1
688 1 83 ARG HA 1 87 LEU H 4.000 . 5.000 5.019 5.015 5.027 0.027 5 0 "[ . 1 . 2]" 1
689 1 84 ARG H 1 86 ARG H 4.300 . 6.000 4.365 4.322 4.421 . 0 0 "[ . 1 . 2]" 1
690 1 84 ARG HA 1 86 ARG H 2.500 . 3.000 3.103 3.100 3.105 0.105 5 0 "[ . 1 . 2]" 1
691 1 84 ARG QD 1 85 SER H 4.000 . 5.000 4.410 3.411 4.986 . 0 0 "[ . 1 . 2]" 1
692 1 84 ARG HE 1 87 LEU HA 4.300 . 6.000 5.993 5.904 6.011 0.011 13 0 "[ . 1 . 2]" 1
693 1 84 ARG QG 1 85 SER H 2.500 . 3.000 2.862 2.786 2.974 . 0 0 "[ . 1 . 2]" 1
694 1 85 SER H 1 86 ARG H 2.500 . 3.000 2.610 2.588 2.650 . 0 0 "[ . 1 . 2]" 1
695 1 85 SER H 1 87 LEU H 4.000 . 5.000 3.735 3.697 3.747 . 0 0 "[ . 1 . 2]" 1
696 1 86 ARG HA 1 87 LEU H 2.500 . 3.000 3.291 3.288 3.295 0.295 16 0 "[ . 1 . 2]" 1
697 1 86 ARG QB 1 87 LEU H 2.500 . 3.000 3.084 3.076 3.089 0.089 2 0 "[ . 1 . 2]" 1
698 1 86 ARG QD 1 87 LEU H 4.000 . 5.000 4.659 3.917 5.000 . 0 0 "[ . 1 . 2]" 1
699 2 3 GLY QA 2 4 THR H 2.500 . 3.000 2.376 2.117 2.813 . 0 0 "[ . 1 . 2]" 1
700 2 4 THR HB 2 5 ASP H 2.500 . 3.000 2.568 1.983 3.001 0.001 18 0 "[ . 1 . 2]" 1
701 2 4 THR HG1 2 5 ASP H 4.300 . 6.000 2.979 1.962 3.747 . 0 0 "[ . 1 . 2]" 1
702 2 5 ASP HA 2 6 LYS H 2.500 . 3.000 2.314 2.141 2.852 . 0 0 "[ . 1 . 2]" 1
703 2 5 ASP QB 2 6 LYS H 4.000 . 5.000 3.166 2.220 4.032 . 0 0 "[ . 1 . 2]" 1
704 2 6 LYS H 2 7 GLU H 4.000 . 5.000 2.295 1.995 3.751 . 0 0 "[ . 1 . 2]" 1
705 2 7 GLU H 2 8 LEU H 2.500 . 3.000 2.540 2.401 2.708 . 0 0 "[ . 1 . 2]" 1
706 2 7 GLU H 2 8 LEU QB 4.000 . 5.000 4.306 4.103 4.896 . 0 0 "[ . 1 . 2]" 1
707 2 7 GLU HA 2 8 LEU H 4.000 . 5.000 3.480 3.471 3.486 . 0 0 "[ . 1 . 2]" 1
708 2 7 GLU HA 2 10 ASP H 2.500 . 3.000 3.009 3.007 3.011 0.011 11 0 "[ . 1 . 2]" 1
709 2 7 GLU QB 2 8 LEU H 4.000 . 5.000 2.907 2.834 3.577 . 0 0 "[ . 1 . 2]" 1
710 2 7 GLU QB 2 10 ASP H 4.000 . 5.000 4.535 4.394 4.722 . 0 0 "[ . 1 . 2]" 1
711 2 8 LEU H 2 9 SER H 4.000 . 5.000 2.732 2.721 2.750 . 0 0 "[ . 1 . 2]" 1
712 2 8 LEU HA 2 9 SER H 4.000 . 5.000 3.511 3.493 3.525 . 0 0 "[ . 1 . 2]" 1
713 2 8 LEU HA 2 11 LEU H 4.000 . 5.000 3.673 3.526 3.897 . 0 0 "[ . 1 . 2]" 1
714 2 8 LEU QB 2 9 SER H 4.000 . 5.000 2.731 2.591 3.490 . 0 0 "[ . 1 . 2]" 1
715 2 8 LEU QB 2 10 ASP H 4.300 . 6.000 4.672 4.573 5.084 . 0 0 "[ . 1 . 2]" 1
716 2 8 LEU QD 2 9 SER H 4.000 . 5.000 3.669 2.232 4.167 . 0 0 "[ . 1 . 2]" 1
717 2 9 SER HA 2 12 LEU H 4.000 . 5.000 3.473 3.122 3.778 . 0 0 "[ . 1 . 2]" 1
718 2 10 ASP H 2 11 LEU H 4.000 . 5.000 2.552 2.411 2.732 . 0 0 "[ . 1 . 2]" 1
719 2 10 ASP HA 2 11 LEU H 4.000 . 5.000 3.513 3.490 3.564 . 0 0 "[ . 1 . 2]" 1
720 2 10 ASP QB 2 11 LEU H 4.000 . 5.000 2.702 2.299 2.874 . 0 0 "[ . 1 . 2]" 1
721 2 11 LEU H 2 12 LEU H 4.000 . 5.000 2.529 2.395 2.727 . 0 0 "[ . 1 . 2]" 1
722 2 11 LEU HA 2 14 PHE H 4.300 . 6.000 3.662 3.397 3.993 . 0 0 "[ . 1 . 2]" 1
723 2 12 LEU H 2 13 ASP H 4.000 . 5.000 2.545 2.393 2.757 . 0 0 "[ . 1 . 2]" 1
724 2 12 LEU HA 2 15 SER H 4.000 . 5.000 3.496 3.318 3.771 . 0 0 "[ . 1 . 2]" 1
725 2 12 LEU QB 2 13 ASP H 4.000 . 5.000 2.741 2.409 2.916 . 0 0 "[ . 1 . 2]" 1
726 2 12 LEU QD 2 13 ASP H 4.000 . 5.000 4.082 3.262 4.244 . 0 0 "[ . 1 . 2]" 1
727 2 12 LEU HG 2 13 ASP H 4.000 . 5.000 4.806 4.336 5.012 0.012 17 0 "[ . 1 . 2]" 1
728 2 13 ASP H 2 14 PHE H 4.000 . 5.000 2.690 2.574 2.823 . 0 0 "[ . 1 . 2]" 1
729 2 13 ASP QB 2 14 PHE H 4.000 . 5.000 2.671 2.268 3.505 . 0 0 "[ . 1 . 2]" 1
730 2 14 PHE H 2 15 SER H 4.000 . 5.000 2.721 2.640 2.868 . 0 0 "[ . 1 . 2]" 1
731 2 14 PHE HA 2 17 MET H 4.300 . 6.000 3.727 3.445 4.031 . 0 0 "[ . 1 . 2]" 1
732 2 15 SER H 2 16 ALA H 4.000 . 5.000 2.481 2.322 2.634 . 0 0 "[ . 1 . 2]" 1
733 2 15 SER QB 2 16 ALA H 4.000 . 5.000 2.915 2.504 3.520 . 0 0 "[ . 1 . 2]" 1
734 2 16 ALA H 2 17 MET H 4.000 . 5.000 2.580 2.388 2.737 . 0 0 "[ . 1 . 2]" 1
735 2 16 ALA MB 2 17 MET H 4.000 . 5.000 2.729 2.466 2.857 . 0 0 "[ . 1 . 2]" 1
736 2 17 MET HA 2 18 PHE H 4.000 . 5.000 3.535 3.493 3.571 . 0 0 "[ . 1 . 2]" 1
737 2 17 MET QB 2 18 PHE H 4.000 . 5.000 2.555 2.125 3.513 . 0 0 "[ . 1 . 2]" 1
738 2 18 PHE HA 2 19 SER H 4.000 . 5.000 2.478 2.141 3.555 . 0 0 "[ . 1 . 2]" 1
739 2 18 PHE QB 2 19 SER H 4.000 . 5.000 3.298 1.988 4.033 . 0 0 "[ . 1 . 2]" 1
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