NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
479577 |
2l0e   |
17040 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l0e
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 621
_Distance_constraint_stats_list.Viol_count 2250
_Distance_constraint_stats_list.Viol_total 1956.686
_Distance_constraint_stats_list.Viol_max 0.235
_Distance_constraint_stats_list.Viol_rms 0.0097
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0217
_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 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 3 LYS 0.164 0.051 23 0 "[ . 1 . 2 . 3 . 4]"
1 4 LYS 0.571 0.117 16 0 "[ . 1 . 2 . 3 . 4]"
1 5 ASP 0.239 0.042 16 0 "[ . 1 . 2 . 3 . 4]"
1 6 ASN 0.213 0.024 35 0 "[ . 1 . 2 . 3 . 4]"
1 7 LEU 1.157 0.137 19 0 "[ . 1 . 2 . 3 . 4]"
1 8 LEU 2.723 0.100 19 0 "[ . 1 . 2 . 3 . 4]"
1 9 PHE 3.921 0.154 31 0 "[ . 1 . 2 . 3 . 4]"
1 10 GLY 1.294 0.061 32 0 "[ . 1 . 2 . 3 . 4]"
1 11 SER 4.170 0.106 31 0 "[ . 1 . 2 . 3 . 4]"
1 12 ILE 5.535 0.106 31 0 "[ . 1 . 2 . 3 . 4]"
1 13 ILE 1.062 0.058 35 0 "[ . 1 . 2 . 3 . 4]"
1 14 SER 1.065 0.129 34 0 "[ . 1 . 2 . 3 . 4]"
1 15 ALA 1.215 0.062 23 0 "[ . 1 . 2 . 3 . 4]"
1 16 VAL 5.744 0.235 29 0 "[ . 1 . 2 . 3 . 4]"
1 17 ASP 0.790 0.089 21 0 "[ . 1 . 2 . 3 . 4]"
1 18 PRO 5.551 0.087 15 0 "[ . 1 . 2 . 3 . 4]"
1 19 VAL 7.245 0.235 29 0 "[ . 1 . 2 . 3 . 4]"
1 20 ALA 4.717 0.091 2 0 "[ . 1 . 2 . 3 . 4]"
1 21 VAL 5.981 0.091 2 0 "[ . 1 . 2 . 3 . 4]"
1 22 LEU 4.218 0.183 34 0 "[ . 1 . 2 . 3 . 4]"
1 23 ALA 5.934 0.183 34 0 "[ . 1 . 2 . 3 . 4]"
1 24 VAL 4.751 0.097 33 0 "[ . 1 . 2 . 3 . 4]"
1 25 PHE 3.322 0.085 21 0 "[ . 1 . 2 . 3 . 4]"
1 26 GLU 0.979 0.045 29 0 "[ . 1 . 2 . 3 . 4]"
1 27 GLU 3.842 0.070 4 0 "[ . 1 . 2 . 3 . 4]"
1 28 ILE 2.268 0.086 20 0 "[ . 1 . 2 . 3 . 4]"
1 29 HIS 1.811 0.119 20 0 "[ . 1 . 2 . 3 . 4]"
1 30 LYS 3.801 0.119 20 0 "[ . 1 . 2 . 3 . 4]"
1 31 LYS 5.855 0.119 20 0 "[ . 1 . 2 . 3 . 4]"
1 32 LYS 1.903 0.119 20 0 "[ . 1 . 2 . 3 . 4]"
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 QD 5.000 . 5.000 3.969 2.000 4.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 2 LYS H 1 2 LYS QG 5.000 . 5.000 2.787 1.805 4.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 2 LYS H 1 3 LYS H 5.000 . 5.000 3.899 2.912 4.653 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 2 LYS HA 1 3 LYS H 2.800 . 2.800 2.425 2.148 2.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 2 LYS QB 1 2 LYS QD 2.800 . 2.800 2.185 2.102 2.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 3 LYS H 1 3 LYS QB . . 3.400 2.783 2.137 3.451 0.051 23 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 3 LYS H 1 3 LYS QB 3.400 . 3.400 2.463 2.015 2.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 3 LYS H 1 3 LYS QD 5.000 . 5.000 4.039 2.048 5.037 0.037 21 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 3 LYS H 1 3 LYS QG 5.000 . 5.000 2.790 1.808 4.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 3 LYS HA 1 4 LYS H 2.800 . 2.800 2.328 2.010 2.800 0.000 2 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 3 LYS QB 1 4 LYS H . . 2.800 2.345 1.799 2.845 0.045 23 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 3 LYS QB 1 5 ASP H 5.000 . 5.000 3.237 1.854 3.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 3 LYS QG 1 5 ASP H 5.000 . 5.000 3.932 2.923 4.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 4 LYS H 1 4 LYS HA 2.900 . 2.900 2.759 2.287 2.946 0.046 23 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 4 LYS H 1 4 LYS QD 5.000 . 5.000 4.236 1.999 5.117 0.117 16 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 4 LYS H 1 4 LYS QG 5.000 . 5.000 3.105 2.046 4.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 4 LYS H 1 5 ASP H 3.400 . 3.400 2.986 1.799 3.442 0.042 16 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 4 LYS HA 1 5 ASP H 2.800 . 2.800 2.352 1.982 2.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 5 ASP H 1 5 ASP QB 3.400 . 3.400 2.725 2.061 3.402 0.002 31 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 5 ASP H 1 6 ASN H 3.400 . 3.400 3.100 2.166 3.409 0.009 21 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 5 ASP HA 1 6 ASN H 3.400 . 3.400 2.830 2.193 3.424 0.024 35 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 5 ASP QB 1 6 ASN H 5.000 . 5.000 3.390 1.789 4.049 0.011 38 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 6 ASN H 1 6 ASN QB 3.400 . 3.400 2.815 2.089 3.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 6 ASN H 1 6 ASN QD 5.000 . 5.000 3.883 1.911 4.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 6 ASN H 1 7 LEU QD 5.000 . 5.000 3.924 1.835 5.013 0.013 20 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 6 ASN H 1 7 LEU HG 5.000 . 5.000 4.300 2.628 5.008 0.008 33 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 6 ASN HA 1 7 LEU H 2.800 . 2.800 2.287 2.087 2.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 6 ASN QB 1 7 LEU H 5.000 . 5.000 3.061 1.805 4.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 7 LEU H 1 7 LEU QB 3.400 . 3.400 2.954 2.287 3.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 7 LEU H 1 7 LEU QD 5.000 . 5.000 2.672 1.798 3.768 0.002 6 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 7 LEU H 1 7 LEU QD 3.400 . 3.400 2.175 1.768 2.743 0.032 6 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 7 LEU H 1 7 LEU HG 3.400 . 3.400 2.733 1.845 3.427 0.027 22 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 7 LEU H 1 8 LEU HG 5.000 . 5.000 4.475 3.238 5.066 0.066 11 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 7 LEU H 1 9 PHE H 5.000 . 5.000 4.553 2.870 5.031 0.031 17 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 7 LEU HA 1 7 LEU QD . . 3.400 2.855 2.105 3.412 0.012 30 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 7 LEU HA 1 8 LEU H 3.500 . 3.500 2.790 2.146 3.563 0.063 19 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 7 LEU HA 1 8 LEU QB 6.000 . 6.000 5.007 4.588 5.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 7 LEU HA 1 8 LEU QD 5.000 . 5.000 3.669 2.897 4.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 7 LEU HA 1 9 PHE H 5.000 . 5.000 3.454 2.970 5.021 0.021 11 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 7 LEU HA 1 10 GLY H 5.000 . 5.000 4.021 3.123 5.014 0.014 11 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 7 LEU QB 1 8 LEU H 5.000 . 5.000 3.538 1.731 4.026 0.069 11 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 7 LEU QB 1 9 PHE H 5.000 . 5.000 3.803 2.662 4.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 7 LEU QB 1 9 PHE H 5.000 . 5.000 2.945 2.024 4.051 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 7 LEU QD 1 8 LEU H 5.000 . 5.000 3.820 2.371 4.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 7 LEU QD 1 9 PHE QB 5.000 . 5.000 3.301 2.430 3.757 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 7 LEU QD 1 9 PHE QB 5.000 . 5.000 3.474 2.441 4.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 7 LEU QD 1 9 PHE QD 3.400 . 3.400 2.425 2.091 3.435 0.035 11 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 7 LEU QD 1 9 PHE QE 5.000 . 5.000 2.839 2.120 3.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 7 LEU QD 1 11 SER H 5.000 . 5.000 4.587 3.523 5.017 0.017 6 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 7 LEU QD 1 9 PHE HA 6.000 . 6.000 5.833 4.332 6.137 0.137 19 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 7 LEU QD 1 9 PHE QB 5.000 . 5.000 4.148 2.465 5.010 0.010 29 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 8 LEU H 1 8 LEU QB 3.400 . 3.400 2.716 2.514 2.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 8 LEU H 1 8 LEU QD 5.000 . 5.000 1.849 1.763 2.629 0.037 6 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 8 LEU H 1 8 LEU HG 3.400 . 3.400 2.104 1.739 2.379 0.061 19 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 8 LEU H 1 9 PHE H 3.400 . 3.400 2.721 2.191 2.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 8 LEU H 1 9 PHE QB 5.000 . 5.000 4.576 3.999 5.025 0.025 6 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 8 LEU H 1 10 GLY H 5.000 . 5.000 4.323 3.600 4.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 8 LEU HA 1 8 LEU QB 2.800 . 2.800 2.202 2.155 2.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 8 LEU HA 1 8 LEU QD . . 3.400 3.238 2.335 3.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 8 LEU HA 1 9 PHE H 3.500 . 3.500 3.482 3.367 3.512 0.012 35 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 8 LEU HA 1 9 PHE QD 5.000 . 5.000 4.944 4.500 5.053 0.053 19 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 8 LEU HA 1 11 SER H 5.000 . 5.000 3.787 3.194 4.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 8 LEU HA 1 11 SER QB 5.000 . 5.000 3.883 2.630 5.015 0.015 31 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 8 LEU QB 1 8 LEU HG 2.800 . 2.800 2.513 2.360 2.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 8 LEU QB 1 9 PHE H 3.400 . 3.400 3.289 2.720 3.500 0.100 19 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 8 LEU QB 1 9 PHE QD 5.000 . 5.000 3.493 2.331 4.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 8 LEU QD 1 9 PHE H 5.000 . 5.000 3.003 2.109 3.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 8 LEU QD 1 9 PHE HA 5.000 . 5.000 3.909 2.606 5.043 0.043 11 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 8 LEU QD 1 9 PHE QB 5.000 . 5.000 4.118 3.488 5.078 0.078 11 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 8 LEU QD 1 9 PHE QD 5.000 . 5.000 2.465 2.102 3.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 8 LEU QD 1 9 PHE QD 3.400 . 3.400 2.230 1.955 3.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 8 LEU QD 1 9 PHE QE 5.000 . 5.000 2.859 2.137 4.064 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 8 LEU QD 1 10 GLY H 5.000 . 5.000 4.787 4.187 5.018 0.018 31 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 8 LEU QD 1 11 SER QB 5.000 . 5.000 4.453 4.077 4.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 8 LEU HG 1 9 PHE H 5.000 . 5.000 2.727 1.826 4.388 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 8 LEU HG 1 9 PHE QD 5.000 . 5.000 3.323 2.337 5.062 0.062 31 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 9 PHE H 1 9 PHE HA 2.900 . 2.900 2.802 2.693 2.922 0.022 36 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 9 PHE H 1 9 PHE QB 2.800 . 2.800 2.258 2.117 2.904 0.104 31 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 9 PHE H 1 9 PHE QD 3.400 . 3.400 2.297 1.808 3.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 9 PHE H 1 11 SER H 5.000 . 5.000 4.516 4.113 5.007 0.007 22 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 9 PHE HA 1 9 PHE QB 2.800 . 2.800 2.462 2.154 2.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 9 PHE HA 1 9 PHE QD 3.400 . 3.400 2.597 2.340 3.172 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 9 PHE HA 1 9 PHE QE 5.000 . 5.000 4.340 4.169 5.154 0.154 31 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 9 PHE HA 1 10 GLY H 3.500 . 3.500 3.501 3.371 3.561 0.061 32 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 9 PHE HA 1 13 ILE H 5.000 . 5.000 3.861 3.526 4.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 9 PHE HA 1 12 ILE HB 5.000 . 5.000 3.175 2.724 4.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 9 PHE HA 1 12 ILE MD 5.000 . 5.000 2.405 2.071 4.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 9 PHE HA 1 12 ILE QG 5.000 . 5.000 4.183 2.419 4.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 9 PHE QB 1 9 PHE QD 2.800 . 2.800 2.199 2.148 2.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 9 PHE QB 1 10 GLY H 3.400 . 3.400 2.819 2.407 3.387 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 9 PHE QB 1 11 SER H 5.000 . 5.000 4.786 4.495 4.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 9 PHE QB 1 13 ILE MD 5.000 . 5.000 2.954 2.022 4.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 9 PHE QD 1 10 GLY H 5.000 . 5.000 4.365 3.306 4.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 9 PHE QD 1 12 ILE MD 5.000 . 5.000 3.765 3.309 4.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 9 PHE QD 1 13 ILE MG 5.000 . 5.000 5.008 4.977 5.045 0.045 31 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 10 GLY H 1 10 GLY QA 2.800 . 2.800 2.197 2.194 2.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 10 GLY H 1 11 SER H 3.400 . 3.400 2.911 2.677 3.072 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 10 GLY H 1 12 ILE H 5.000 . 5.000 4.174 3.956 4.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 10 GLY H 1 14 SER QB 5.000 . 5.000 4.933 4.384 5.030 0.030 7 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 10 GLY QA 1 11 SER H 5.000 . 5.000 2.682 2.609 2.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 10 GLY QA 1 11 SER HA 5.000 . 5.000 4.065 4.046 4.118 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 10 GLY QA 1 11 SER QB 5.000 . 5.000 4.365 4.246 4.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 10 GLY QA 1 12 ILE HB 5.000 . 5.000 4.196 4.069 4.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 10 GLY QA 1 13 ILE H 5.000 . 5.000 3.328 3.163 3.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 10 GLY QA 1 12 ILE H 5.000 . 5.000 3.687 3.609 3.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 10 GLY QA 1 12 ILE HB 5.000 . 5.000 4.991 4.897 5.027 0.027 25 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 10 GLY QA 1 12 ILE MG 5.000 . 5.000 3.929 3.134 4.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 10 GLY QA 1 13 ILE H 5.000 . 5.000 3.380 3.206 3.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 10 GLY QA 1 13 ILE HB 5.000 . 5.000 2.639 2.441 2.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 10 GLY QA 1 13 ILE MD 5.000 . 5.000 4.263 2.969 5.021 0.021 6 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 10 GLY QA 1 13 ILE QG 5.000 . 5.000 3.628 3.150 4.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 10 GLY QA 1 14 SER QB 5.000 . 5.000 2.493 2.113 2.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 11 SER H 1 11 SER QB 2.800 . 2.800 2.200 2.051 2.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 11 SER H 1 12 ILE H 2.800 . 2.800 2.736 2.544 2.815 0.015 22 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 11 SER H 1 12 ILE HB 5.000 . 5.000 4.947 4.742 5.051 0.051 13 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 11 SER H 1 12 ILE QG 5.000 . 5.000 4.729 3.698 4.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 11 SER H 1 13 ILE H 5.000 . 5.000 4.513 4.285 4.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 11 SER HA 1 11 SER QB . . 2.800 2.463 2.329 2.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 11 SER HA 1 12 ILE H 3.400 . 3.400 3.488 3.449 3.506 0.106 31 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 11 SER HA 1 14 SER H 5.000 . 5.000 4.746 4.423 5.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 11 SER QB 1 13 ILE H 5.000 . 5.000 4.987 4.835 5.023 0.023 11 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 12 ILE H 1 12 ILE HA 2.900 . 2.900 2.923 2.920 2.928 0.028 22 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 12 ILE H 1 12 ILE HB 2.800 . 2.800 2.409 2.347 2.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 12 ILE H 1 12 ILE MD 5.000 . 5.000 2.875 2.016 2.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 12 ILE H 1 12 ILE MD 2.800 . 2.800 2.784 2.009 2.812 0.012 7 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 12 ILE H 1 12 ILE QG 3.400 . 3.400 2.719 2.125 2.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 12 ILE H 1 13 ILE H 3.400 . 3.400 2.462 2.359 2.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 12 ILE H 1 13 ILE QG 5.000 . 5.000 3.916 3.592 4.757 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 12 ILE H 1 14 SER H 5.000 . 5.000 3.992 3.556 4.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 12 ILE HA 1 12 ILE QG 3.400 . 3.400 2.340 2.259 3.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 12 ILE HA 1 12 ILE MG 2.800 . 2.800 2.071 2.000 2.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 12 ILE HA 1 13 ILE H 2.800 . 2.800 2.723 2.678 2.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 12 ILE HA 1 13 ILE QG 2.800 . 2.800 2.325 2.116 2.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 12 ILE HA 1 15 ALA H 3.400 . 3.400 3.142 2.872 3.431 0.031 13 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 12 ILE HA 1 15 ALA MB 2.800 . 2.800 2.595 2.279 2.811 0.011 17 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 12 ILE HB 1 12 ILE MD 3.400 . 3.400 2.177 2.142 3.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 12 ILE HB 1 13 ILE H 3.400 . 3.400 2.296 2.160 2.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 12 ILE HB 1 13 ILE QG 5.000 . 5.000 3.032 2.692 3.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 12 ILE HB 1 15 ALA MB 5.000 . 5.000 4.942 4.752 5.027 0.027 34 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 12 ILE HB 1 16 VAL QG 5.000 . 5.000 4.877 4.669 5.021 0.021 23 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 12 ILE MD 1 13 ILE H 5.000 . 5.000 3.913 3.491 4.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 12 ILE QG 1 13 ILE H 5.000 . 5.000 4.104 3.617 4.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 12 ILE MG 1 15 ALA H 5.000 . 5.000 4.005 3.794 4.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 12 ILE MG 1 16 VAL H 5.000 . 5.000 4.485 3.724 5.003 0.003 4 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 13 ILE H 1 13 ILE HB 2.800 . 2.800 2.625 2.214 2.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 13 ILE H 1 13 ILE MD 5.000 . 5.000 3.170 1.869 3.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 13 ILE H 1 13 ILE QG 3.400 . 3.400 1.967 1.802 2.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 13 ILE H 1 14 SER H 3.400 . 3.400 2.846 2.700 2.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 13 ILE H 1 15 ALA H 5.000 . 5.000 3.763 3.592 3.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 13 ILE H 1 16 VAL QG 5.000 . 5.000 4.830 4.237 5.054 0.054 40 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 13 ILE HA 1 13 ILE QG 3.400 . 3.400 2.692 2.246 3.140 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 13 ILE HA 1 14 SER H 3.400 . 3.400 2.140 2.088 2.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 13 ILE HA 1 15 ALA H 5.000 . 5.000 3.645 3.384 3.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 13 ILE HA 1 16 VAL H 5.000 . 5.000 3.225 3.005 3.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 13 ILE HA 1 16 VAL HB 5.000 . 5.000 3.274 2.348 5.058 0.058 35 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 13 ILE HA 1 16 VAL QG 3.400 . 3.400 2.736 2.220 3.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 13 ILE HB 1 13 ILE MD 3.400 . 3.400 2.785 2.139 3.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 13 ILE HB 1 14 SER H 3.400 . 3.400 2.180 1.985 2.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 13 ILE MD 1 14 SER H 5.000 . 5.000 4.291 3.511 4.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 13 ILE MD 1 14 SER H 5.000 . 5.000 3.681 3.229 3.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 13 ILE QG 1 14 SER H 5.000 . 5.000 3.708 3.344 4.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 13 ILE QG 1 14 SER H 5.000 . 5.000 3.501 3.253 3.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 13 ILE MG 1 14 SER HA 5.000 . 5.000 3.589 2.871 3.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 13 ILE MG 1 15 ALA H 5.000 . 5.000 4.426 3.986 4.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 13 ILE MG 1 16 VAL H 5.000 . 5.000 4.228 3.963 4.757 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 13 ILE MG 1 16 VAL HB 5.000 . 5.000 3.852 3.240 5.030 0.030 13 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 14 SER H 1 14 SER HA 2.900 . 2.900 2.772 2.730 2.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 14 SER H 1 14 SER QB 2.800 . 2.800 2.157 2.102 2.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 14 SER H 1 15 ALA H 2.800 . 2.800 2.748 2.539 2.812 0.012 25 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 14 SER H 1 15 ALA HA 6.000 . 6.000 5.318 4.995 5.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 14 SER H 1 16 VAL H 5.000 . 5.000 4.339 4.081 4.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 14 SER H 1 16 VAL QG 5.000 . 5.000 4.733 4.256 5.008 0.008 28 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 14 SER HA 1 14 SER QB 2.800 . 2.800 2.339 2.164 2.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 14 SER HA 1 15 ALA H 3.400 . 3.400 3.399 3.270 3.441 0.041 8 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 14 SER HA 1 15 ALA MB 5.000 . 5.000 4.938 4.858 4.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 14 SER HA 1 16 VAL H 5.000 . 5.000 4.290 3.647 5.129 0.129 34 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 14 SER QB 1 15 ALA H 5.000 . 5.000 3.353 3.010 3.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 15 ALA H 1 15 ALA MB 2.800 . 2.800 2.183 2.068 2.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 15 ALA H 1 16 VAL H 2.800 . 2.800 2.304 2.230 2.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 15 ALA H 1 16 VAL HA 5.000 . 5.000 4.881 4.632 5.023 0.023 13 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 15 ALA H 1 16 VAL HB 6.000 . 6.000 4.373 4.070 5.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 15 ALA H 1 16 VAL QG 5.000 . 5.000 3.911 3.118 4.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 15 ALA HA 1 16 VAL H 3.500 . 3.500 3.493 3.268 3.562 0.062 23 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 15 ALA HA 1 16 VAL QG 5.000 . 5.000 4.775 4.316 4.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 15 ALA MB 1 16 VAL H 3.400 . 3.400 2.767 2.339 3.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 15 ALA MB 1 16 VAL HA 5.000 . 5.000 3.834 3.679 4.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 15 ALA MB 1 16 VAL HB 6.000 . 6.000 4.510 3.890 5.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 15 ALA MB 1 16 VAL QG 5.000 . 5.000 3.908 2.894 4.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 15 ALA MB 1 17 ASP H 6.000 . 6.000 5.281 3.788 5.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 16 VAL H 1 16 VAL HA 2.800 . 2.800 2.741 2.294 2.890 0.090 35 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 16 VAL H 1 16 VAL QG 3.400 . 3.400 2.466 1.767 2.773 0.033 35 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 16 VAL H 1 17 ASP H 5.000 . 5.000 4.439 3.292 4.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 16 VAL H 1 17 ASP HA 5.000 . 5.000 4.455 4.272 4.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 16 VAL HA 1 17 ASP H 2.800 . 2.800 2.402 2.137 2.809 0.009 40 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 16 VAL HA 1 17 ASP HA 5.000 . 5.000 4.422 4.298 4.818 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 16 VAL HA 1 17 ASP QB 5.000 . 5.000 4.205 3.701 4.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 16 VAL HA 1 17 ASP QB 5.000 . 5.000 3.871 3.522 4.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 16 VAL HA 1 20 ALA MB 5.000 . 5.000 4.368 3.020 5.084 0.084 26 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 16 VAL HA 1 21 VAL QG 5.000 . 5.000 4.838 4.425 5.073 0.073 31 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 16 VAL HB 1 17 ASP H 5.000 . 5.000 4.075 2.229 4.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 16 VAL HB 1 20 ALA MB 5.000 . 5.000 4.139 2.116 5.029 0.029 40 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 16 VAL HB 1 21 VAL QG 5.000 . 5.000 3.743 2.635 4.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 16 VAL QG 1 17 ASP H 3.400 . 3.400 2.224 1.776 3.417 0.024 21 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 16 VAL QG 1 17 ASP HA 5.000 . 5.000 3.757 3.151 4.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 16 VAL QG 1 17 ASP HA 5.000 . 5.000 3.532 2.968 4.160 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 16 VAL QG 1 17 ASP QB 5.000 . 5.000 3.335 2.746 3.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 16 VAL QG 1 17 ASP QB 5.000 . 5.000 3.232 2.732 3.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 16 VAL QG 1 18 PRO QB 6.000 . 6.000 5.361 4.996 6.041 0.041 32 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 16 VAL QG 1 18 PRO QB 5.000 . 5.000 3.799 3.512 3.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 16 VAL QG 1 18 PRO QD 5.000 . 5.000 4.281 4.004 4.804 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 16 VAL QG 1 18 PRO QG 5.000 . 5.000 3.988 3.796 4.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 16 VAL QG 1 19 VAL H 5.000 . 5.000 5.000 4.742 5.235 0.235 29 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 16 VAL QG 1 19 VAL H 5.000 . 5.000 4.130 3.801 4.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 16 VAL QG 1 19 VAL HA 5.000 . 5.000 4.965 4.882 5.024 0.024 32 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 16 VAL QG 1 19 VAL HB 6.000 . 6.000 5.341 4.662 6.015 0.015 29 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 16 VAL QG 1 19 VAL QG 5.000 . 5.000 4.339 4.127 4.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 16 VAL QG 1 20 ALA MB 3.400 . 3.400 1.955 1.737 2.397 0.063 10 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 16 VAL QG 1 21 VAL H 5.000 . 5.000 3.408 2.990 4.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 16 VAL QG 1 21 VAL HB 5.000 . 5.000 4.375 3.946 5.037 0.037 29 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 17 ASP H 1 17 ASP QB 3.400 . 3.400 2.456 2.062 3.406 0.006 40 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 17 ASP H 1 18 PRO QD 5.000 . 5.000 4.107 2.854 4.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 17 ASP H 1 20 ALA MB 5.000 . 5.000 3.419 1.896 5.025 0.025 29 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 17 ASP H 1 21 VAL QG 5.000 . 5.000 4.288 3.341 5.010 0.010 33 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 17 ASP HA 1 18 PRO HA 5.000 . 5.000 4.496 4.401 4.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 17 ASP HA 1 18 PRO QB 5.000 . 5.000 4.732 4.605 4.821 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 17 ASP HA 1 18 PRO QD 3.400 . 3.400 2.122 2.073 2.161 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 17 ASP HA 1 18 PRO QG 5.000 . 5.000 4.046 3.996 4.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 17 ASP HA 1 19 VAL H 5.000 . 5.000 4.159 3.332 4.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 17 ASP HA 1 20 ALA MB 5.000 . 5.000 4.753 4.312 5.089 0.089 21 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 17 ASP QB 1 18 PRO QD 5.000 . 5.000 2.862 2.284 3.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 17 ASP QB 1 18 PRO QG 5.000 . 5.000 2.874 2.475 3.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 17 ASP QB 1 19 VAL H 5.000 . 5.000 2.837 2.449 3.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 17 ASP QB 1 20 ALA H 5.000 . 5.000 3.144 2.564 3.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 17 ASP QB 1 20 ALA MB 3.400 . 3.400 3.243 2.623 3.416 0.016 4 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 18 PRO HA 1 18 PRO QG 2.800 . 2.800 2.869 2.830 2.887 0.087 15 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 18 PRO HA 1 19 VAL H 3.500 . 3.500 3.519 3.360 3.569 0.069 20 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 18 PRO HA 1 19 VAL HA 5.000 . 5.000 4.876 4.712 4.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 18 PRO HA 1 19 VAL QG 5.000 . 5.000 4.935 4.766 4.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 18 PRO HA 1 20 ALA H 5.000 . 5.000 3.955 3.655 4.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 18 PRO HA 1 20 ALA MB 5.000 . 5.000 4.786 4.431 5.012 0.012 13 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 18 PRO HA 1 21 VAL H 3.400 . 3.400 3.008 2.805 3.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 18 PRO HA 1 21 VAL HA 5.000 . 5.000 5.010 4.880 5.086 0.086 28 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 18 PRO HA 1 21 VAL HA 5.000 . 5.000 4.398 4.342 4.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 18 PRO HA 1 21 VAL HB 5.000 . 5.000 2.520 2.365 2.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 18 PRO HA 1 21 VAL QG 3.400 . 3.400 2.362 2.192 2.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 18 PRO HA 1 21 VAL QG 2.800 . 2.800 2.357 2.180 2.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 18 PRO QB 1 18 PRO QD 3.400 . 3.400 2.864 2.800 2.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 18 PRO QB 1 19 VAL H 5.000 . 5.000 2.557 2.170 3.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 18 PRO QB 1 19 VAL HA 5.000 . 5.000 3.801 3.687 4.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 18 PRO QB 1 19 VAL QG 5.000 . 5.000 3.374 3.173 3.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 18 PRO QB 1 20 ALA H 5.000 . 5.000 4.544 4.331 4.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 18 PRO QB 1 21 VAL QG 5.000 . 5.000 3.891 3.587 4.093 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 18 PRO QB 1 21 VAL QG 5.000 . 5.000 3.432 2.114 3.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 18 PRO QB 1 22 LEU QD 5.000 . 5.000 3.869 2.125 4.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 18 PRO QD 1 19 VAL QG 5.000 . 5.000 4.174 3.661 4.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 18 PRO QD 1 20 ALA H 5.000 . 5.000 4.670 4.536 4.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 18 PRO QG 1 21 VAL H 5.000 . 5.000 4.619 4.578 4.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 19 VAL H 1 19 VAL HA 2.800 . 2.800 2.770 2.712 2.893 0.093 32 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 19 VAL H 1 19 VAL HB 2.800 . 2.800 2.358 2.237 2.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 19 VAL H 1 19 VAL QG 2.800 . 2.800 2.372 2.100 2.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 19 VAL H 1 20 ALA H 2.800 . 2.800 2.718 2.292 2.880 0.080 31 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 19 VAL H 1 20 ALA MB 5.000 . 5.000 4.389 4.030 4.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 19 VAL H 1 21 VAL H 5.000 . 5.000 3.983 3.577 4.169 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 19 VAL H 1 22 LEU HG 5.000 . 5.000 4.940 3.949 5.043 0.043 21 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 19 VAL HA 1 19 VAL QG 2.800 . 2.800 2.071 2.029 2.096 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 19 VAL HA 1 20 ALA H 5.000 . 5.000 3.498 3.472 3.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 19 VAL HA 1 20 ALA HA 5.000 . 5.000 4.693 4.661 4.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 19 VAL HA 1 20 ALA MB 5.000 . 5.000 4.648 3.954 4.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 19 VAL HA 1 21 VAL H 5.000 . 5.000 4.303 4.128 4.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 19 VAL HA 1 22 LEU H 5.000 . 5.000 3.552 3.409 4.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 19 VAL HA 1 22 LEU HA 6.000 . 6.000 5.266 5.115 6.049 0.049 34 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 19 VAL HA 1 22 LEU QB 3.400 . 3.400 2.684 2.586 3.412 0.012 33 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 19 VAL HA 1 22 LEU QD 5.000 . 5.000 3.293 3.197 3.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 19 VAL HA 1 22 LEU HG 6.000 . 6.000 5.380 3.147 5.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 19 VAL HA 1 23 ALA H 5.000 . 5.000 4.680 3.812 5.007 0.007 18 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 19 VAL HB 1 20 ALA H 3.400 . 3.400 2.886 2.781 2.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 19 VAL HB 1 20 ALA HA 5.000 . 5.000 4.652 4.386 4.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 19 VAL HB 1 20 ALA MB 5.000 . 5.000 4.020 3.854 4.114 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 19 VAL HB 1 21 VAL H 5.000 . 5.000 4.980 4.880 5.039 0.039 34 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 19 VAL HB 1 22 LEU H 5.000 . 5.000 4.495 4.243 4.735 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 19 VAL QG 1 20 ALA H 3.400 . 3.400 3.150 3.055 3.407 0.007 34 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 19 VAL QG 1 20 ALA HA 5.000 . 5.000 3.269 3.199 3.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 19 VAL QG 1 20 ALA MB 3.400 . 3.400 3.402 3.367 3.413 0.013 26 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 19 VAL QG 1 21 VAL H 5.000 . 5.000 4.478 4.363 4.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 19 VAL QG 1 22 LEU H 5.000 . 5.000 4.355 4.255 4.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 19 VAL QG 1 22 LEU QB 5.000 . 5.000 3.510 3.425 4.142 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 19 VAL QG 1 22 LEU QB 5.000 . 5.000 3.462 3.397 3.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 19 VAL QG 1 22 LEU QD 3.400 . 3.400 3.417 3.402 3.435 0.035 28 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 19 VAL QG 1 23 ALA H 5.000 . 5.000 4.555 4.071 4.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 20 ALA H 1 20 ALA MB 2.800 . 2.800 2.181 2.059 2.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 20 ALA H 1 21 VAL H 2.800 . 2.800 2.309 2.234 2.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 20 ALA H 1 21 VAL HA 5.000 . 5.000 5.005 4.948 5.021 0.021 2 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 20 ALA H 1 21 VAL HB 5.000 . 5.000 4.783 4.606 4.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 20 ALA H 1 22 LEU H 5.000 . 5.000 3.738 3.611 4.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 20 ALA H 1 22 LEU QD 6.000 . 6.000 5.498 4.898 5.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 20 ALA H 1 23 ALA H 6.000 . 6.000 5.449 4.838 5.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 20 ALA HA 1 21 VAL H 5.000 . 5.000 3.485 3.459 3.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 20 ALA HA 1 21 VAL HA 5.000 . 5.000 4.696 4.674 4.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 20 ALA HA 1 23 ALA H 5.000 . 5.000 4.186 3.967 4.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 20 ALA HA 1 24 VAL QG 5.000 . 5.000 4.624 4.109 4.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 20 ALA MB 1 21 VAL H 2.800 . 2.800 2.796 2.745 2.820 0.020 1 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 20 ALA MB 1 21 VAL HA 5.000 . 5.000 3.836 3.763 3.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 20 ALA MB 1 21 VAL HA 5.000 . 5.000 3.674 3.604 3.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 20 ALA MB 1 21 VAL HB 5.000 . 5.000 4.832 4.706 4.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 20 ALA MB 1 21 VAL HB 5.000 . 5.000 4.693 4.577 4.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 20 ALA MB 1 21 VAL QG 2.800 . 2.800 2.821 2.769 2.891 0.091 2 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 20 ALA MB 1 22 LEU H 5.000 . 5.000 3.934 3.819 4.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 20 ALA MB 1 22 LEU QB 5.000 . 5.000 3.643 3.507 3.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 20 ALA MB 1 23 ALA H 2.800 . 2.800 2.176 2.034 2.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 20 ALA MB 1 24 VAL QG 2.800 . 2.800 2.640 2.516 2.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 21 VAL H 1 21 VAL HB 3.400 . 3.400 2.679 2.513 2.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 21 VAL H 1 21 VAL QG 2.800 . 2.800 1.990 1.820 2.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 21 VAL H 1 22 LEU H 3.400 . 3.400 2.343 2.274 2.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 21 VAL H 1 22 LEU QB 5.000 . 5.000 4.095 4.018 4.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 21 VAL H 1 23 ALA H 5.000 . 5.000 4.623 4.122 4.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 21 VAL H 1 24 VAL QG 5.000 . 5.000 4.372 4.099 4.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 21 VAL HA 1 21 VAL QG 2.800 . 2.800 2.088 2.066 2.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 21 VAL HA 1 22 LEU H 5.000 . 5.000 3.452 3.399 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 21 VAL HA 1 22 LEU QD 6.000 . 6.000 5.782 4.607 5.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 21 VAL HA 1 23 ALA H 5.000 . 5.000 4.671 4.323 4.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 21 VAL HA 1 24 VAL H 5.000 . 5.000 3.572 3.274 3.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 21 VAL HA 1 24 VAL HA 6.000 . 6.000 5.728 5.378 5.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 21 VAL HA 1 24 VAL HB 5.000 . 5.000 3.631 3.120 3.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 21 VAL HA 1 24 VAL QG 3.400 . 3.400 2.279 2.243 2.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 21 VAL HA 1 25 PHE H 5.000 . 5.000 3.906 3.768 4.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 21 VAL HB 1 22 LEU H 3.400 . 3.400 2.999 2.104 3.231 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 21 VAL HB 1 22 LEU QB 5.000 . 5.000 4.452 4.186 4.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 21 VAL QG 1 22 LEU H 3.400 . 3.400 3.390 2.994 3.454 0.054 26 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 21 VAL QG 1 23 ALA H 5.000 . 5.000 3.344 2.511 3.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 21 VAL QG 1 24 VAL H 5.000 . 5.000 3.823 3.549 3.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 21 VAL QG 1 25 PHE H 5.000 . 5.000 2.934 2.521 3.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 21 VAL QG 1 25 PHE QE 5.000 . 5.000 3.524 3.243 4.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 21 VAL QG 1 22 LEU HG 6.000 . 6.000 5.819 3.963 6.078 0.078 31 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 21 VAL QG 1 23 ALA H 5.000 . 5.000 4.963 4.670 5.030 0.030 35 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 21 VAL QG 1 24 VAL H 5.000 . 5.000 4.033 3.700 4.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 21 VAL QG 1 24 VAL HB 6.000 . 6.000 3.165 2.497 3.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 21 VAL QG 1 24 VAL QG 3.400 . 3.400 3.001 2.773 3.408 0.008 33 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 21 VAL QG 1 25 PHE H 5.000 . 5.000 2.960 2.528 3.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 21 VAL QG 1 25 PHE QB 5.000 . 5.000 2.710 2.206 2.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 21 VAL QG 1 25 PHE QD 5.000 . 5.000 4.401 3.981 4.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 21 VAL QG 1 25 PHE QD 3.400 . 3.400 3.402 3.220 3.436 0.036 26 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 21 VAL QG 1 25 PHE QE 6.000 . 6.000 5.941 5.549 6.020 0.020 26 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 22 LEU H 1 22 LEU HA 2.800 . 2.800 2.790 2.709 2.839 0.039 6 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 22 LEU H 1 22 LEU QB 2.800 . 2.800 2.244 2.154 2.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 22 LEU H 1 22 LEU QD 5.000 . 5.000 3.521 2.139 3.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 22 LEU H 1 22 LEU HG 2.800 . 2.800 2.389 1.775 2.702 0.025 33 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 22 LEU H 1 23 ALA H 3.400 . 3.400 2.924 2.762 3.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 22 LEU H 1 24 VAL H 5.000 . 5.000 3.989 3.887 4.229 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 22 LEU H 1 25 PHE H 5.000 . 5.000 4.640 4.399 4.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 22 LEU H 1 25 PHE QD 5.000 . 5.000 4.642 4.427 4.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 22 LEU HA 1 22 LEU QB 2.800 . 2.800 2.408 2.288 2.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 22 LEU HA 1 22 LEU QD 3.400 . 3.400 2.351 2.072 3.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 22 LEU HA 1 23 ALA H 5.000 . 5.000 3.570 3.545 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 22 LEU HA 1 23 ALA MB 5.000 . 5.000 5.015 4.950 5.030 0.030 21 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 22 LEU HA 1 24 VAL H 5.000 . 5.000 3.806 3.698 3.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 22 LEU HA 1 24 VAL HB 6.000 . 6.000 5.390 5.265 5.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 22 LEU HA 1 24 VAL QG 5.000 . 5.000 4.591 4.392 4.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 22 LEU HA 1 25 PHE H 5.000 . 5.000 3.457 3.153 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 22 LEU HA 1 25 PHE HA 6.000 . 6.000 5.179 5.087 5.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 22 LEU HA 1 25 PHE QB 3.400 . 3.400 2.424 2.328 2.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 22 LEU HA 1 25 PHE QD 3.400 . 3.400 2.864 2.761 2.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 22 LEU HA 1 25 PHE QE 5.000 . 5.000 5.011 4.974 5.024 0.024 22 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 22 LEU HA 1 26 GLU H 5.000 . 5.000 3.822 3.485 3.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 22 LEU QB 1 23 ALA H 3.400 . 3.400 2.135 1.969 2.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 22 LEU QB 1 23 ALA MB 5.000 . 5.000 3.712 3.558 3.901 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 22 LEU QD 1 23 ALA H 5.000 . 5.000 3.409 2.518 3.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 22 LEU QD 1 23 ALA HA 5.000 . 5.000 3.721 2.380 5.048 0.048 33 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 22 LEU QD 1 23 ALA MB 5.000 . 5.000 4.089 3.116 4.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 22 LEU QD 1 25 PHE QD 5.000 . 5.000 2.850 2.214 3.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 22 LEU QD 1 25 PHE QE 5.000 . 5.000 3.542 3.259 4.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 22 LEU QD 1 25 PHE H 5.000 . 5.000 4.930 4.272 5.020 0.020 28 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 22 LEU QD 1 25 PHE QB 5.000 . 5.000 3.672 3.234 4.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 22 LEU QD 1 25 PHE QD 5.000 . 5.000 2.864 2.216 3.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 22 LEU QD 1 25 PHE QE 5.000 . 5.000 3.555 3.265 4.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 22 LEU QD 1 26 GLU H 5.000 . 5.000 4.492 3.152 4.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 22 LEU QD 1 26 GLU HA 5.000 . 5.000 4.563 3.280 5.044 0.044 34 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 22 LEU QD 1 26 GLU QG 5.000 . 5.000 3.561 2.709 4.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 22 LEU HG 1 23 ALA H 5.000 . 5.000 3.798 3.025 4.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 22 LEU HG 1 23 ALA MB 5.000 . 5.000 4.980 4.106 5.183 0.183 34 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 22 LEU HG 1 25 PHE H 5.000 . 5.000 4.388 3.908 4.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 22 LEU HG 1 25 PHE QD 5.000 . 5.000 3.380 3.019 4.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 23 ALA H 1 23 ALA HA 2.800 . 2.800 2.714 2.676 2.806 0.006 21 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 23 ALA H 1 23 ALA MB 2.800 . 2.800 2.178 2.035 2.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 23 ALA H 1 24 VAL H 3.400 . 3.400 2.861 2.642 2.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 23 ALA H 1 24 VAL HA 6.000 . 6.000 5.459 5.283 5.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 23 ALA H 1 24 VAL HB 6.000 . 6.000 5.689 5.350 5.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 23 ALA H 1 24 VAL QG 5.000 . 5.000 3.691 3.485 3.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 23 ALA H 1 25 PHE H 5.000 . 5.000 4.773 4.019 4.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 23 ALA H 1 26 GLU H 5.000 . 5.000 4.956 4.755 5.011 0.011 30 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 23 ALA HA 1 24 VAL H 3.400 . 3.400 3.475 3.458 3.497 0.097 33 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 23 ALA HA 1 24 VAL HA 5.000 . 5.000 4.214 4.158 4.229 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 23 ALA HA 1 26 GLU QB 3.400 . 3.400 3.311 3.036 3.422 0.022 29 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 23 ALA HA 1 26 GLU QG 5.000 . 5.000 2.727 2.294 3.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 23 ALA MB 1 24 VAL H 2.800 . 2.800 2.793 2.729 2.814 0.014 21 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 23 ALA MB 1 24 VAL HA 5.000 . 5.000 3.920 3.825 3.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 23 ALA MB 1 24 VAL HB 5.000 . 5.000 4.943 4.837 5.001 0.001 19 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 23 ALA MB 1 24 VAL QG 5.000 . 5.000 2.666 2.540 2.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 23 ALA MB 1 25 PHE H 5.000 . 5.000 4.932 4.536 4.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 23 ALA MB 1 26 GLU H 5.000 . 5.000 4.925 4.786 4.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 23 ALA MB 1 26 GLU QB 5.000 . 5.000 4.583 4.357 4.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 24 VAL H 1 24 VAL QG 2.800 . 2.800 1.827 1.795 2.009 0.005 9 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 24 VAL H 1 25 PHE H 3.400 . 3.400 2.516 2.207 2.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 24 VAL H 1 25 PHE QB 5.000 . 5.000 4.036 3.960 4.096 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 24 VAL H 1 25 PHE QD 6.000 . 6.000 5.432 5.361 5.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 24 VAL H 1 26 GLU H 5.000 . 5.000 3.441 3.349 3.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 24 VAL H 1 26 GLU QB 5.000 . 5.000 4.540 4.244 5.010 0.010 21 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 24 VAL H 1 27 GLU H 5.000 . 5.000 4.993 4.803 5.046 0.046 16 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 24 VAL HA 1 24 VAL QG 2.800 . 2.800 2.081 2.071 2.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 24 VAL HA 1 25 PHE H 5.000 . 5.000 3.570 3.495 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 24 VAL HA 1 25 PHE HA 5.000 . 5.000 4.839 4.697 4.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 24 VAL HA 1 26 GLU H 5.000 . 5.000 3.592 3.547 3.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 24 VAL HA 1 27 GLU H 5.000 . 5.000 3.428 3.182 3.666 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 24 VAL HA 1 27 GLU HA 6.000 . 6.000 5.909 5.622 6.031 0.031 21 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 24 VAL HA 1 27 GLU QB 5.000 . 5.000 3.772 3.575 4.228 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 24 VAL HA 1 27 GLU QG 3.400 . 3.400 3.349 2.328 3.470 0.070 4 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 24 VAL HA 1 28 ILE H . . 5.000 4.781 4.521 5.001 0.001 3 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 24 VAL HA 1 28 ILE MD 5.000 . 5.000 4.446 3.985 4.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 24 VAL HB 1 25 PHE H 5.000 . 5.000 2.162 1.999 2.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 24 VAL HB 1 25 PHE QB 5.000 . 5.000 3.834 3.728 4.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 24 VAL HB 1 25 PHE QD 6.000 . 6.000 3.869 3.506 4.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 24 VAL HB 1 28 ILE H 5.000 . 5.000 3.603 3.448 3.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 24 VAL HB 1 28 ILE HB 5.000 . 5.000 5.009 4.974 5.028 0.028 20 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 24 VAL HB 1 28 ILE MG 6.000 . 6.000 5.339 5.091 5.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 24 VAL HB 1 28 ILE MD 5.000 . 5.000 3.120 2.637 3.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 24 VAL HB 1 28 ILE QG 6.000 . 6.000 4.383 3.692 4.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 24 VAL QG 1 25 PHE H 3.400 . 3.400 2.877 2.737 3.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 24 VAL QG 1 25 PHE HA 5.000 . 5.000 4.059 3.887 4.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 24 VAL QG 1 25 PHE HA 3.400 . 3.400 3.044 2.578 3.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 24 VAL QG 1 25 PHE QB 5.000 . 5.000 4.055 3.971 4.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 24 VAL QG 1 25 PHE QD 6.000 . 6.000 5.341 5.301 5.489 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 24 VAL QG 1 25 PHE QD . . 5.000 4.657 4.523 4.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 24 VAL QG 1 26 GLU H 5.000 . 5.000 4.085 4.052 4.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 24 VAL QG 1 26 GLU H 5.000 . 5.000 3.878 3.725 4.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 24 VAL QG 1 27 GLU H 5.000 . 5.000 4.157 3.947 4.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 24 VAL QG 1 27 GLU H 5.000 . 5.000 3.513 3.241 3.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 24 VAL QG 1 27 GLU QG 5.000 . 5.000 3.119 2.717 3.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 24 VAL QG 1 27 GLU QG 5.000 . 5.000 2.269 2.182 2.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 24 VAL QG 1 28 ILE H 5.000 . 5.000 4.497 4.104 4.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 25 PHE H 1 25 PHE HA 2.800 . 2.800 2.753 2.737 2.885 0.085 21 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 25 PHE H 1 25 PHE QB 2.800 . 2.800 2.191 2.151 2.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 25 PHE H 1 25 PHE QD 5.000 . 5.000 4.025 3.826 4.115 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 25 PHE H 1 26 GLU H 3.400 . 3.400 2.791 2.374 2.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 25 PHE H 1 26 GLU HA 6.000 . 6.000 5.324 4.985 5.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 25 PHE H 1 26 GLU QB 5.000 . 5.000 4.777 4.350 4.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 25 PHE H 1 27 GLU H 5.000 . 5.000 4.443 4.082 4.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 25 PHE H 1 28 ILE MD 5.000 . 5.000 3.517 3.161 3.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 25 PHE HA 1 25 PHE QB 2.800 . 2.800 2.236 2.227 2.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 25 PHE HA 1 25 PHE QD 3.400 . 3.400 3.029 2.607 3.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 25 PHE HA 1 25 PHE QE 5.000 . 5.000 4.882 4.727 4.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 25 PHE HA 1 26 GLU H 3.400 . 3.400 3.398 3.382 3.431 0.031 21 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 25 PHE HA 1 26 GLU HA 5.000 . 5.000 4.742 4.698 4.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 25 PHE HA 1 26 GLU QB 6.000 . 6.000 5.345 5.314 5.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 25 PHE HA 1 26 GLU QG 5.000 . 5.000 5.005 4.949 5.045 0.045 29 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 25 PHE HA 1 27 GLU QG 5.000 . 5.000 4.393 3.972 4.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 25 PHE HA 1 28 ILE H 3.400 . 3.400 3.190 3.084 3.403 0.003 30 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 25 PHE HA 1 28 ILE HA 5.000 . 5.000 4.656 4.530 4.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 25 PHE HA 1 28 ILE HB 3.400 . 3.400 2.343 2.332 2.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 25 PHE HA 1 28 ILE MD 2.800 . 2.800 2.193 2.131 2.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 25 PHE HA 1 28 ILE QG 3.400 . 3.400 3.154 2.603 3.402 0.002 27 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 25 PHE HA 1 28 ILE MG 5.000 . 5.000 3.743 3.701 3.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 25 PHE HA 1 29 HIS H 5.000 . 5.000 3.746 3.456 4.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 25 PHE QB 1 25 PHE QD 2.800 . 2.800 2.149 2.148 2.160 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 25 PHE QB 1 26 GLU H 3.400 . 3.400 3.237 3.146 3.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 25 PHE QB 1 26 GLU HA 5.000 . 5.000 4.530 4.481 4.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 25 PHE QB 1 27 GLU H 5.000 . 5.000 5.016 4.886 5.038 0.038 30 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 25 PHE QB 1 28 ILE H 5.000 . 5.000 4.888 4.829 4.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 25 PHE QB 1 28 ILE MD 5.000 . 5.000 3.276 3.125 3.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 25 PHE QD 1 26 GLU H 5.000 . 5.000 3.440 3.305 3.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 25 PHE QD 1 26 GLU HA 5.000 . 5.000 3.237 3.097 3.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 25 PHE QD 1 26 GLU QB 5.000 . 5.000 3.955 3.541 4.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 25 PHE QD 1 26 GLU QG 5.000 . 5.000 3.809 2.345 5.002 0.002 28 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 25 PHE QD 1 28 ILE HB 5.000 . 5.000 3.681 3.342 3.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 25 PHE QD 1 28 ILE MD 5.000 . 5.000 3.544 3.301 3.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 25 PHE QD 1 28 ILE MG 5.000 . 5.000 3.856 3.688 4.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 25 PHE QD 1 29 HIS QB 5.000 . 5.000 3.665 3.128 4.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 25 PHE QE 1 28 ILE MD 6.000 . 6.000 5.238 4.954 5.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 25 PHE QE 1 28 ILE MG 5.000 . 5.000 4.557 4.191 5.005 0.005 15 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 25 PHE QE 1 29 HIS QB 5.000 . 5.000 2.773 2.306 3.100 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 25 PHE QE 1 29 HIS HD2 5.000 . 5.000 4.408 4.304 4.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 25 PHE QE 1 29 HIS HE1 5.000 . 5.000 4.998 4.948 5.011 0.011 26 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 25 PHE HZ 1 29 HIS QB 5.000 . 5.000 3.279 2.965 3.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 25 PHE HZ 1 29 HIS HD2 5.000 . 5.000 5.008 4.952 5.031 0.031 33 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 26 GLU H 1 26 GLU QB 3.400 . 3.400 2.400 2.306 2.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 26 GLU H 1 26 GLU QG 3.400 . 3.400 2.338 2.163 2.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 26 GLU H 1 27 GLU H 3.400 . 3.400 2.450 2.361 2.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 26 GLU H 1 27 GLU QG 5.000 . 5.000 4.338 3.472 4.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 26 GLU H 1 28 ILE H 5.000 . 5.000 3.736 3.615 3.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 26 GLU HA 1 26 GLU QB 2.800 . 2.800 2.281 2.183 2.415 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 26 GLU HA 1 26 GLU QG 3.400 . 3.400 2.919 2.324 3.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 26 GLU HA 1 27 GLU H 5.000 . 5.000 3.504 3.483 3.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 26 GLU HA 1 28 ILE H 5.000 . 5.000 4.137 3.796 4.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 26 GLU HA 1 29 HIS H 5.000 . 5.000 4.559 4.399 4.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 26 GLU HA 1 29 HIS QB 5.000 . 5.000 4.751 4.610 5.003 0.003 30 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 26 GLU HA 1 29 HIS HD2 5.000 . 5.000 2.573 2.436 2.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 26 GLU HA 1 30 LYS H 5.000 . 5.000 4.773 4.513 5.002 0.002 31 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 26 GLU HA 1 30 LYS QB 5.000 . 5.000 4.320 3.941 4.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 26 GLU QG 1 27 GLU H 5.000 . 5.000 2.939 1.898 4.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 27 GLU H 1 27 GLU HA 2.900 . 2.900 2.921 2.914 2.926 0.026 30 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 27 GLU H 1 27 GLU QB 3.400 . 3.400 2.427 2.388 2.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 27 GLU H 1 27 GLU QG 2.800 . 2.800 2.447 1.792 2.521 0.008 21 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 27 GLU H 1 28 ILE H 3.400 . 3.400 2.270 2.202 2.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 27 GLU H 1 28 ILE HA 3.400 . 3.400 3.262 3.113 3.409 0.009 29 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 27 GLU H 1 28 ILE MD 5.000 . 5.000 4.586 4.430 4.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 27 GLU H 1 28 ILE QG 5.000 . 5.000 3.704 3.329 3.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 27 GLU H 1 28 ILE MG 5.000 . 5.000 4.069 4.026 4.140 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 27 GLU H 1 29 HIS H 5.000 . 5.000 4.794 4.671 5.008 0.008 30 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 27 GLU H 1 29 HIS QB 5.000 . 5.000 4.813 4.773 4.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 27 GLU HA 1 27 GLU QB 2.800 . 2.800 2.172 2.169 2.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 27 GLU HA 1 27 GLU QG 3.400 . 3.400 3.261 3.244 3.416 0.016 16 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 27 GLU HA 1 28 ILE H 5.000 . 5.000 3.408 3.275 3.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 27 GLU HA 1 28 ILE HA 5.000 . 5.000 4.749 4.645 4.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 27 GLU HA 1 30 LYS H 5.000 . 5.000 3.738 3.605 3.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 27 GLU HA 1 30 LYS HA 6.000 . 6.000 5.342 5.120 5.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 27 GLU HA 1 30 LYS QB 2.800 . 2.800 2.407 2.265 2.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 27 GLU HA 1 30 LYS QD 5.000 . 5.000 3.302 2.850 3.846 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 27 GLU HA 1 30 LYS QE 5.000 . 5.000 2.800 2.398 3.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 27 GLU HA 1 30 LYS QG 5.000 . 5.000 4.226 3.196 4.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 27 GLU QB 1 28 ILE H 5.000 . 5.000 3.652 3.478 3.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 27 GLU QB 1 28 ILE HA 5.000 . 5.000 4.682 4.266 4.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 27 GLU QB 1 28 ILE QG 5.000 . 5.000 4.339 4.190 4.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 27 GLU QB 1 30 LYS QB 5.000 . 5.000 3.949 3.697 4.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 27 GLU QB 1 30 LYS QD 5.000 . 5.000 4.470 4.048 4.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 27 GLU QB 1 31 LYS QB 5.000 . 5.000 4.637 3.944 5.013 0.013 12 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 27 GLU QG 1 28 ILE H 5.000 . 5.000 2.426 2.100 2.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 27 GLU QG 1 28 ILE HA 5.000 . 5.000 3.169 2.993 3.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 27 GLU QG 1 28 ILE MD 5.000 . 5.000 3.717 3.541 3.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 27 GLU QG 1 28 ILE QG 5.000 . 5.000 2.334 2.254 2.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 27 GLU QG 1 28 ILE MG 5.000 . 5.000 4.464 4.218 4.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 27 GLU QG 1 30 LYS QB 5.000 . 5.000 3.776 3.286 4.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 27 GLU QG 1 30 LYS QD 5.000 . 5.000 4.481 4.021 5.026 0.026 18 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 27 GLU QG 1 30 LYS QE 5.000 . 5.000 4.895 4.332 5.038 0.038 12 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 27 GLU QG 1 31 LYS QG 5.000 . 5.000 4.381 2.658 5.054 0.054 9 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 28 ILE H 1 28 ILE HB 3.400 . 3.400 2.366 2.262 2.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 28 ILE H 1 28 ILE MD 5.000 . 5.000 3.538 3.364 3.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 28 ILE H 1 28 ILE QG 3.400 . 3.400 2.441 1.888 2.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 28 ILE H 1 29 HIS H 3.400 . 3.400 2.898 2.725 3.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 28 ILE H 1 29 HIS QB 5.000 . 5.000 4.750 4.480 4.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 28 ILE H 1 30 LYS QD 6.000 . 6.000 5.973 5.282 6.031 0.031 30 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 28 ILE HA 1 28 ILE QG . . 2.800 2.337 2.273 2.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 28 ILE HA 1 28 ILE MG 2.800 . 2.800 2.395 2.259 2.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 28 ILE HA 1 29 HIS H 5.000 . 5.000 3.565 3.549 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 28 ILE HA 1 30 LYS H 5.000 . 5.000 3.787 3.676 3.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 28 ILE HA 1 30 LYS QB 3.400 . 3.400 2.852 2.403 3.135 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 28 ILE HA 1 30 LYS QB 3.400 . 3.400 2.822 2.401 3.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 28 ILE HA 1 31 LYS H 5.000 . 5.000 3.314 3.149 3.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 28 ILE HA 1 31 LYS QD 5.000 . 5.000 4.862 4.291 5.049 0.049 4 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 28 ILE HA 1 31 LYS QD 5.000 . 5.000 4.323 2.737 4.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 28 ILE HA 1 31 LYS QG 5.000 . 5.000 4.380 3.218 5.032 0.032 20 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 28 ILE HA 1 32 LYS H 5.000 . 5.000 3.916 2.781 4.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 28 ILE HA 1 32 LYS QG 5.000 . 5.000 4.299 3.470 5.008 0.008 20 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 28 ILE HB 1 28 ILE MD 3.400 . 3.400 2.244 2.225 2.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 28 ILE HB 1 29 HIS H 3.400 . 3.400 2.073 1.880 2.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 28 ILE HB 1 29 HIS QB 5.000 . 5.000 3.808 3.626 3.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 28 ILE MD 1 29 HIS H 5.000 . 5.000 3.958 3.843 4.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 28 ILE MD 1 29 HIS HD2 6.000 . 6.000 5.679 5.484 5.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 28 ILE QG 1 28 ILE MG . . 2.800 2.255 2.212 2.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 28 ILE QG 1 29 HIS H 5.000 . 5.000 3.970 3.743 4.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 28 ILE QG 1 31 LYS QB 5.000 . 5.000 4.464 4.110 4.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 28 ILE MG 1 29 HIS HA 5.000 . 5.000 3.055 2.897 3.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 28 ILE MG 1 29 HIS QB 5.000 . 5.000 3.431 3.162 3.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 28 ILE MG 1 29 HIS HD2 6.000 . 6.000 4.826 4.418 5.233 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 28 ILE MG 1 32 LYS H 5.000 . 5.000 3.724 3.203 4.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 28 ILE MG 1 32 LYS HA 5.000 . 5.000 4.884 4.324 5.008 0.008 13 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 28 ILE MG 1 32 LYS QG 2.800 . 2.800 2.673 2.021 2.886 0.086 20 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 29 HIS H 1 29 HIS QB 3.400 . 3.400 2.184 2.117 2.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 29 HIS H 1 29 HIS HD2 5.000 . 5.000 2.682 2.384 3.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 29 HIS H 1 30 LYS H 3.400 . 3.400 2.747 2.714 2.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 29 HIS H 1 30 LYS HA 6.000 . 6.000 5.323 5.270 5.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 29 HIS H 1 30 LYS QB 5.000 . 5.000 4.489 4.362 4.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 29 HIS H 1 31 LYS QB 5.000 . 5.000 4.475 4.030 4.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 29 HIS HA 1 29 HIS HD2 5.000 . 5.000 4.320 4.278 4.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 29 HIS HA 1 30 LYS H 5.000 . 5.000 3.409 3.364 3.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 29 HIS HA 1 30 LYS QB 5.000 . 5.000 4.629 4.563 4.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 29 HIS HA 1 31 LYS H 5.000 . 5.000 3.999 3.859 4.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 29 HIS HA 1 32 LYS H 5.000 . 5.000 3.502 3.264 4.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 29 HIS HA 1 32 LYS QB 5.000 . 5.000 2.796 2.466 3.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 29 HIS QB 1 29 HIS HD2 3.400 . 3.400 3.014 2.978 3.042 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 29 HIS QB 1 30 LYS H 5.000 . 5.000 3.648 3.531 3.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 29 HIS QB 1 30 LYS HA 5.000 . 5.000 4.688 4.658 4.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 29 HIS QB 1 30 LYS QB 5.000 . 5.000 4.783 4.683 5.010 0.010 29 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 29 HIS QB 1 30 LYS QB 5.000 . 5.000 3.961 3.780 4.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 29 HIS QB 1 31 LYS H 5.000 . 5.000 5.028 5.002 5.119 0.119 20 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 29 HIS HD2 1 30 LYS H 5.000 . 5.000 2.469 2.211 2.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 29 HIS HD2 1 30 LYS HA 5.000 . 5.000 4.286 3.955 4.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 29 HIS HD2 1 30 LYS QB 6.000 . 6.000 2.998 2.692 3.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 29 HIS HD2 1 30 LYS QD 6.000 . 6.000 5.162 4.217 5.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 29 HIS HD2 1 30 LYS QG 5.000 . 5.000 4.943 3.968 5.019 0.019 4 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 30 LYS H 1 30 LYS HA 2.900 . 2.900 2.911 2.887 2.924 0.024 3 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 30 LYS H 1 30 LYS QB 2.800 . 2.800 2.289 2.110 2.328 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 30 LYS H 1 30 LYS QD 5.000 . 5.000 4.414 4.124 4.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 30 LYS H 1 30 LYS QE 5.000 . 5.000 4.662 4.313 5.032 0.032 17 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 30 LYS H 1 30 LYS QG 5.000 . 5.000 3.972 3.524 4.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 30 LYS H 1 32 LYS H 5.000 . 5.000 3.853 3.691 4.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 30 LYS HA 1 30 LYS QB 2.800 . 2.800 2.372 2.206 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 30 LYS HA 1 30 LYS QD 5.000 . 5.000 3.862 3.640 4.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 30 LYS HA 1 30 LYS QG 3.400 . 3.400 2.350 2.143 2.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 30 LYS HA 1 31 LYS H 3.400 . 3.400 3.443 3.423 3.469 0.069 15 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 30 LYS HA 1 31 LYS HA 5.000 . 5.000 4.637 4.582 4.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 30 LYS HA 1 32 LYS H 5.000 . 5.000 4.654 4.185 5.119 0.119 20 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 30 LYS QB 1 30 LYS QD 2.800 . 2.800 2.200 2.088 2.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 30 LYS QB 1 30 LYS QE 3.400 . 3.400 2.338 2.048 3.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 30 LYS QE 1 30 LYS QG 3.400 . 3.400 2.310 2.092 2.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 30 LYS QE 1 31 LYS H 5.000 . 5.000 4.672 3.686 5.004 0.004 13 0 "[ . 1 . 2 . 3 . 4]" 1
604 1 30 LYS QG 1 31 LYS H 5.000 . 5.000 4.058 3.190 4.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 31 LYS H 1 31 LYS HA 2.900 . 2.900 2.929 2.896 2.951 0.051 20 0 "[ . 1 . 2 . 3 . 4]" 1
606 1 31 LYS H 1 31 LYS QB 2.800 . 2.800 2.278 2.158 2.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
607 1 31 LYS H 1 31 LYS QD 5.000 . 5.000 3.813 2.762 4.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
608 1 31 LYS H 1 31 LYS QG 5.000 . 5.000 3.689 2.725 4.095 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 31 LYS H 1 32 LYS H 2.800 . 2.800 2.234 2.097 2.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 31 LYS HA 1 31 LYS QB 2.800 . 2.800 2.477 2.389 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 31 LYS HA 1 31 LYS QD 2.800 . 2.800 2.476 2.208 2.810 0.010 3 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 31 LYS HA 1 31 LYS QG 2.800 . 2.800 2.318 2.296 2.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 31 LYS HA 1 32 LYS H 3.500 . 3.500 3.522 3.473 3.562 0.062 15 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 31 LYS QB 1 31 LYS QD 2.800 . 2.800 1.979 1.902 2.064 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 32 LYS H 1 32 LYS HA 2.800 . 2.800 2.771 2.715 2.869 0.069 20 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 32 LYS H 1 32 LYS QB 2.800 . 2.800 2.304 2.075 2.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 32 LYS H 1 32 LYS QD 5.000 . 5.000 3.653 1.863 4.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
618 1 32 LYS H 1 32 LYS QG 5.000 . 5.000 2.683 2.140 4.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
619 1 32 LYS HA 1 32 LYS QB 2.800 . 2.800 2.451 2.383 2.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
620 1 32 LYS HA 1 32 LYS QD 2.800 . 2.800 2.333 2.136 2.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
621 1 32 LYS HA 1 32 LYS QG 2.800 . 2.800 2.395 2.313 2.850 0.050 20 0 "[ . 1 . 2 . 3 . 4]" 1
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