NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
472735 |
1dom   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1dom
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 166
_TA_constraint_stats_list.Viol_count 32
_TA_constraint_stats_list.Viol_total 21.14
_TA_constraint_stats_list.Viol_max 1.55
_TA_constraint_stats_list.Viol_rms 0.32
_TA_constraint_stats_list.Viol_average_all_restraints 0.13
_TA_constraint_stats_list.Viol_average_violations_only 0.66
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * ID of the restraint list.
* 3 * Number of restraints in list.
* 4 * Number of violated restraints (each model violation is used).
* 5 * Sum of violations in degrees.
* 6 * Maximum violation of a restraint without averaging in any way.
* 7 * Rms of violations over all restraints.
* 8 * Average violation over all restraints.
* 9 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
Threshold for reporting violations (degrees) in the last columns of the next table.
* 10 * This tag.
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
* 2 * Torsion angle name where available.
* 3 * First atom's:
* 4 * Chain identifier (can be absent if none defined)
* 5 * Residue number
* 6 * Residue name
* 7 * Name of (pseudo-)atom
* 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18.
* 19 * Lower bound (degrees)
* 20 * Upper bound (degrees)
* 21 * Average angle in ensemble of models
* 22 * Minimum angle in ensemble of models (counter clockwise from range)
* 23 * Maximum angle in ensemble of models (clockwise from range)
* 24 * Maximum violation (without any averaging)
* 25 * Model number with the maximum violation
* 26 * Number of models with a violation above cutoff
* 27 * List of models with a violation above cutoff. See description above.
* 28 * Administrative tag
* 29 * Administrative tag
;
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 . 1 4 ALA C 1 5 ILE N 1 5 ILE CA 1 5 ILE C -180.00 0.00 -93.87 -93.87 -93.87 . . 0 "[ ]"
2 . 2 4 ALA C 2 5 ILE N 2 5 ILE CA 2 5 ILE C -180.00 0.00 -93.85 -93.85 -93.85 . . 0 "[ ]"
3 . 1 5 ILE C 1 6 ASN N 1 6 ASN CA 1 6 ASN C -180.00 0.00 -90.49 -90.49 -90.49 . . 0 "[ ]"
4 . 2 5 ILE C 2 6 ASN N 2 6 ASN CA 2 6 ASN C -180.00 0.00 -90.52 -90.52 -90.52 . . 0 "[ ]"
5 . 1 6 ASN C 1 7 ALA N 1 7 ALA CA 1 7 ALA C -150.00 -90.00 -111.30 -111.30 -111.30 . . 0 "[ ]"
6 . 2 6 ASN C 2 7 ALA N 2 7 ALA CA 2 7 ALA C -150.00 -90.00 -111.39 -111.39 -111.39 . . 0 "[ ]"
7 . 1 8 PRO C 1 9 VAL N 1 9 VAL CA 1 9 VAL C -150.00 -90.00 -89.17 -89.17 -89.17 0.83 1 0 "[ ]"
8 . 2 8 PRO C 2 9 VAL N 2 9 VAL CA 2 9 VAL C -150.00 -90.00 -89.16 -89.16 -89.16 0.84 1 0 "[ ]"
9 . 1 9 VAL C 1 10 THR N 1 10 THR CA 1 10 THR C -180.00 0.00 -57.44 -57.44 -57.44 . . 0 "[ ]"
10 . 2 9 VAL C 2 10 THR N 2 10 THR CA 2 10 THR C -180.00 0.00 -57.52 -57.52 -57.52 . . 0 "[ ]"
11 . 1 10 THR C 1 11 CYS N 1 11 CYS CA 1 11 CYS C -150.00 -90.00 -132.61 -132.61 -132.61 . . 0 "[ ]"
12 . 2 10 THR C 2 11 CYS N 2 11 CYS CA 2 11 CYS C -150.00 -90.00 -132.62 -132.62 -132.62 . . 0 "[ ]"
13 . 1 11 CYS C 1 12 CYS N 1 12 CYS CA 1 12 CYS C -180.00 0.00 -130.72 -130.72 -130.72 . . 0 "[ ]"
14 . 2 11 CYS C 2 12 CYS N 2 12 CYS CA 2 12 CYS C -180.00 0.00 -130.72 -130.72 -130.72 . . 0 "[ ]"
15 . 1 12 CYS C 1 13 TYR N 1 13 TYR CA 1 13 TYR C -150.00 -90.00 -142.47 -142.47 -142.47 . . 0 "[ ]"
16 . 2 12 CYS C 2 13 TYR N 2 13 TYR CA 2 13 TYR C -150.00 -90.00 -142.44 -142.44 -142.44 . . 0 "[ ]"
17 . 1 13 TYR C 1 14 ASN N 1 14 ASN CA 1 14 ASN C -150.00 -90.00 -121.66 -121.66 -121.66 . . 0 "[ ]"
18 . 2 13 TYR C 2 14 ASN N 2 14 ASN CA 2 14 ASN C -150.00 -90.00 -121.66 -121.66 -121.66 . . 0 "[ ]"
19 . 1 14 ASN C 1 15 PHE N 1 15 PHE CA 1 15 PHE C -180.00 -60.00 -148.43 -148.43 -148.43 . . 0 "[ ]"
20 . 2 14 ASN C 2 15 PHE N 2 15 PHE CA 2 15 PHE C -180.00 -60.00 -148.49 -148.49 -148.49 . . 0 "[ ]"
21 . 1 15 PHE C 1 16 THR N 1 16 THR CA 1 16 THR C -180.00 0.00 -45.90 -45.90 -45.90 . . 0 "[ ]"
22 . 2 15 PHE C 2 16 THR N 2 16 THR CA 2 16 THR C -180.00 0.00 -45.96 -45.96 -45.96 . . 0 "[ ]"
23 . 1 16 THR C 1 17 ASN N 1 17 ASN CA 1 17 ASN C -150.00 -90.00 -103.08 -103.08 -103.08 . . 0 "[ ]"
24 . 2 16 THR C 2 17 ASN N 2 17 ASN CA 2 17 ASN C -150.00 -90.00 -103.08 -103.08 -103.08 . . 0 "[ ]"
25 . 1 17 ASN C 1 18 ARG N 1 18 ARG CA 1 18 ARG C -150.00 -90.00 -109.34 -109.34 -109.34 . . 0 "[ ]"
26 . 2 17 ASN C 2 18 ARG N 2 18 ARG CA 2 18 ARG C -150.00 -90.00 -109.41 -109.41 -109.41 . . 0 "[ ]"
27 . 1 18 ARG C 1 19 LYS N 1 19 LYS CA 1 19 LYS C -180.00 0.00 -55.27 -55.27 -55.27 . . 0 "[ ]"
28 . 2 18 ARG C 2 19 LYS N 2 19 LYS CA 2 19 LYS C -180.00 0.00 -55.34 -55.34 -55.34 . . 0 "[ ]"
29 . 1 19 LYS C 1 20 ILE N 1 20 ILE CA 1 20 ILE C -180.00 0.00 -77.87 -77.87 -77.87 . . 0 "[ ]"
30 . 2 19 LYS C 2 20 ILE N 2 20 ILE CA 2 20 ILE C -180.00 0.00 -77.81 -77.81 -77.81 . . 0 "[ ]"
31 . 1 20 ILE C 1 21 SER N 1 21 SER CA 1 21 SER C -95.00 -35.00 -44.16 -44.16 -44.16 . . 0 "[ ]"
32 . 2 20 ILE C 2 21 SER N 2 21 SER CA 2 21 SER C -95.00 -35.00 -44.15 -44.15 -44.15 . . 0 "[ ]"
33 . 1 21 SER C 1 22 VAL N 1 22 VAL CA 1 22 VAL C -95.00 -35.00 -55.34 -55.34 -55.34 . . 0 "[ ]"
34 . 2 21 SER C 2 22 VAL N 2 22 VAL CA 2 22 VAL C -95.00 -35.00 -55.26 -55.26 -55.26 . . 0 "[ ]"
35 . 1 25 LEU C 1 26 ALA N 1 26 ALA CA 1 26 ALA C -180.00 0.00 -69.73 -69.73 -69.73 . . 0 "[ ]"
36 . 2 25 LEU C 2 26 ALA N 2 26 ALA CA 2 26 ALA C -180.00 0.00 -69.73 -69.73 -69.73 . . 0 "[ ]"
37 . 1 27 SER C 1 28 TYR N 1 28 TYR CA 1 28 TYR C -150.00 -90.00 -151.10 -151.10 -151.10 1.10 1 0 "[ ]"
38 . 2 27 SER C 2 28 TYR N 2 28 TYR CA 2 28 TYR C -150.00 -90.00 -151.09 -151.09 -151.09 1.09 1 0 "[ ]"
39 . 1 28 TYR C 1 29 ARG N 1 29 ARG CA 1 29 ARG C -150.00 -90.00 -126.36 -126.36 -126.36 . . 0 "[ ]"
40 . 2 28 TYR C 2 29 ARG N 2 29 ARG CA 2 29 ARG C -150.00 -90.00 -126.36 -126.36 -126.36 . . 0 "[ ]"
41 . 1 29 ARG C 1 30 ARG N 1 30 ARG CA 1 30 ARG C -180.00 0.00 -41.21 -41.21 -41.21 . . 0 "[ ]"
42 . 2 29 ARG C 2 30 ARG N 2 30 ARG CA 2 30 ARG C -180.00 0.00 -41.17 -41.17 -41.17 . . 0 "[ ]"
43 . 1 30 ARG C 1 31 ILE N 1 31 ILE CA 1 31 ILE C -180.00 0.00 -70.45 -70.45 -70.45 . . 0 "[ ]"
44 . 2 30 ARG C 2 31 ILE N 2 31 ILE CA 2 31 ILE C -180.00 0.00 -70.40 -70.40 -70.40 . . 0 "[ ]"
45 . 1 34 SER C 1 35 LYS N 1 35 LYS CA 1 35 LYS C -150.00 -90.00 -99.47 -99.47 -99.47 . . 0 "[ ]"
46 . 2 34 SER C 2 35 LYS N 2 35 LYS CA 2 35 LYS C -150.00 -90.00 -99.41 -99.41 -99.41 . . 0 "[ ]"
47 . 1 37 PRO C 1 38 LYS N 1 38 LYS CA 1 38 LYS C -150.00 -90.00 -150.36 -150.36 -150.36 0.36 1 0 "[ ]"
48 . 2 37 PRO C 2 38 LYS N 2 38 LYS CA 2 38 LYS C -150.00 -90.00 -150.37 -150.37 -150.37 0.37 1 0 "[ ]"
49 . 1 38 LYS C 1 39 GLU N 1 39 GLU CA 1 39 GLU C -95.00 -35.00 -81.49 -81.49 -81.49 . . 0 "[ ]"
50 . 2 38 LYS C 2 39 GLU N 2 39 GLU CA 2 39 GLU C -95.00 -35.00 -81.47 -81.47 -81.47 . . 0 "[ ]"
51 . 1 39 GLU C 1 40 ALA N 1 40 ALA CA 1 40 ALA C -180.00 0.00 -175.20 -175.20 -175.20 . . 0 "[ ]"
52 . 2 39 GLU C 2 40 ALA N 2 40 ALA CA 2 40 ALA C -180.00 0.00 -175.21 -175.21 -175.21 . . 0 "[ ]"
53 . 1 40 ALA C 1 41 VAL N 1 41 VAL CA 1 41 VAL C -150.00 -90.00 -118.02 -118.02 -118.02 . . 0 "[ ]"
54 . 2 40 ALA C 2 41 VAL N 2 41 VAL CA 2 41 VAL C -150.00 -90.00 -118.08 -118.08 -118.08 . . 0 "[ ]"
55 . 1 41 VAL C 1 42 ILE N 1 42 ILE CA 1 42 ILE C -180.00 -60.00 -89.65 -89.65 -89.65 . . 0 "[ ]"
56 . 2 41 VAL C 2 42 ILE N 2 42 ILE CA 2 42 ILE C -180.00 -60.00 -89.61 -89.61 -89.61 . . 0 "[ ]"
57 . 1 42 ILE C 1 43 PHE N 1 43 PHE CA 1 43 PHE C -180.00 -60.00 -61.36 -61.36 -61.36 . . 0 "[ ]"
58 . 2 42 ILE C 2 43 PHE N 2 43 PHE CA 2 43 PHE C -180.00 -60.00 -61.35 -61.35 -61.35 . . 0 "[ ]"
59 . 1 43 PHE C 1 44 LYS N 1 44 LYS CA 1 44 LYS C -180.00 0.00 -65.02 -65.02 -65.02 . . 0 "[ ]"
60 . 2 43 PHE C 2 44 LYS N 2 44 LYS CA 2 44 LYS C -180.00 0.00 -65.03 -65.03 -65.03 . . 0 "[ ]"
61 . 1 44 LYS C 1 45 THR N 1 45 THR CA 1 45 THR C -180.00 -60.00 -60.24 -60.24 -60.24 . . 0 "[ ]"
62 . 2 44 LYS C 2 45 THR N 2 45 THR CA 2 45 THR C -180.00 -60.00 -60.16 -60.16 -60.16 . . 0 "[ ]"
63 . 1 46 ILE C 1 47 VAL N 1 47 VAL CA 1 47 VAL C -150.00 -90.00 -89.39 -89.39 -89.39 0.61 1 0 "[ ]"
64 . 2 46 ILE C 2 47 VAL N 2 47 VAL CA 2 47 VAL C -150.00 -90.00 -89.40 -89.40 -89.40 0.60 1 0 "[ ]"
65 . 1 49 LYS C 1 50 GLU N 1 50 GLU CA 1 50 GLU C -180.00 0.00 -55.12 -55.12 -55.12 . . 0 "[ ]"
66 . 2 49 LYS C 2 50 GLU N 2 50 GLU CA 2 50 GLU C -180.00 0.00 -55.18 -55.18 -55.18 . . 0 "[ ]"
67 . 1 50 GLU C 1 51 ILE N 1 51 ILE CA 1 51 ILE C -150.00 -90.00 -109.68 -109.68 -109.68 . . 0 "[ ]"
68 . 2 50 GLU C 2 51 ILE N 2 51 ILE CA 2 51 ILE C -150.00 -90.00 -109.68 -109.68 -109.68 . . 0 "[ ]"
69 . 1 51 ILE C 1 52 CYS N 1 52 CYS CA 1 52 CYS C -180.00 0.00 -64.78 -64.78 -64.78 . . 0 "[ ]"
70 . 2 51 ILE C 2 52 CYS N 2 52 CYS CA 2 52 CYS C -180.00 0.00 -64.69 -64.69 -64.69 . . 0 "[ ]"
71 . 1 52 CYS C 1 53 ALA N 1 53 ALA CA 1 53 ALA C -150.00 -90.00 -130.85 -130.85 -130.85 . . 0 "[ ]"
72 . 2 52 CYS C 2 53 ALA N 2 53 ALA CA 2 53 ALA C -150.00 -90.00 -130.88 -130.88 -130.88 . . 0 "[ ]"
73 . 1 56 LYS C 1 57 GLN N 1 57 GLN CA 1 57 GLN C -150.00 -90.00 -89.70 -89.70 -89.70 0.30 1 0 "[ ]"
74 . 2 56 LYS C 2 57 GLN N 2 57 GLN CA 2 57 GLN C -150.00 -90.00 -89.74 -89.74 -89.74 0.26 1 0 "[ ]"
75 . 1 57 GLN C 1 58 LYS N 1 58 LYS CA 1 58 LYS C -95.00 -35.00 -95.12 -95.12 -95.12 0.12 1 0 "[ ]"
76 . 2 57 GLN C 2 58 LYS N 2 58 LYS CA 2 58 LYS C -95.00 -35.00 -95.08 -95.08 -95.08 0.08 1 0 "[ ]"
77 . 1 58 LYS C 1 59 TRP N 1 59 TRP CA 1 59 TRP C -95.00 -35.00 -95.37 -95.37 -95.37 0.37 1 0 "[ ]"
78 . 2 58 LYS C 2 59 TRP N 2 59 TRP CA 2 59 TRP C -95.00 -35.00 -95.45 -95.45 -95.45 0.45 1 0 "[ ]"
79 . 1 60 VAL C 1 61 GLN N 1 61 GLN CA 1 61 GLN C -180.00 0.00 -78.84 -78.84 -78.84 . . 0 "[ ]"
80 . 2 60 VAL C 2 61 GLN N 2 61 GLN CA 2 61 GLN C -180.00 0.00 -78.78 -78.78 -78.78 . . 0 "[ ]"
81 . 1 61 GLN C 1 62 ASP N 1 62 ASP CA 1 62 ASP C -95.00 -35.00 -87.29 -87.29 -87.29 . . 0 "[ ]"
82 . 2 61 GLN C 2 62 ASP N 2 62 ASP CA 2 62 ASP C -95.00 -35.00 -87.16 -87.16 -87.16 . . 0 "[ ]"
83 . 1 62 ASP C 1 63 SER N 1 63 SER CA 1 63 SER C -95.00 -35.00 -67.08 -67.08 -67.08 . . 0 "[ ]"
84 . 2 62 ASP C 2 63 SER N 2 63 SER CA 2 63 SER C -95.00 -35.00 -67.06 -67.06 -67.06 . . 0 "[ ]"
85 . 1 64 MET C 1 65 ASP N 1 65 ASP CA 1 65 ASP C -95.00 -35.00 -83.64 -83.64 -83.64 . . 0 "[ ]"
86 . 2 64 MET C 2 65 ASP N 2 65 ASP CA 2 65 ASP C -95.00 -35.00 -83.58 -83.58 -83.58 . . 0 "[ ]"
87 . 1 66 HIS C 1 67 LEU N 1 67 LEU CA 1 67 LEU C -95.00 -35.00 -90.55 -90.55 -90.55 . . 0 "[ ]"
88 . 2 66 HIS C 2 67 LEU N 2 67 LEU CA 2 67 LEU C -95.00 -35.00 -90.52 -90.52 -90.52 . . 0 "[ ]"
89 . 1 67 LEU C 1 68 ASP N 1 68 ASP CA 1 68 ASP C -95.00 -35.00 -64.83 -64.83 -64.83 . . 0 "[ ]"
90 . 2 67 LEU C 2 68 ASP N 2 68 ASP CA 2 68 ASP C -95.00 -35.00 -64.89 -64.89 -64.89 . . 0 "[ ]"
91 . 1 70 GLN C 1 71 THR N 1 71 THR CA 1 71 THR C -150.00 -90.00 -96.39 -96.39 -96.39 . . 0 "[ ]"
92 . 2 70 GLN C 2 71 THR N 2 71 THR CA 2 71 THR C -150.00 -90.00 -96.38 -96.38 -96.38 . . 0 "[ ]"
93 . 1 71 THR C 1 72 GLN N 1 72 GLN CA 1 72 GLN C -150.00 -90.00 -89.72 -89.72 -89.72 0.28 1 0 "[ ]"
94 . 2 71 THR C 2 72 GLN N 2 72 GLN CA 2 72 GLN C -150.00 -90.00 -89.65 -89.65 -89.65 0.35 1 0 "[ ]"
95 . 1 75 LYS C 1 76 THR N 1 76 THR CA 1 76 THR C -150.00 -90.00 -103.65 -103.65 -103.65 . . 0 "[ ]"
96 . 2 75 LYS C 2 76 THR N 2 76 THR CA 2 76 THR C -150.00 -90.00 -103.63 -103.63 -103.63 . . 0 "[ ]"
97 . 1 9 VAL N 1 9 VAL CA 1 9 VAL CB 1 9 VAL CG1 30.00 90.00 58.13 58.13 58.13 . . 0 "[ ]"
98 . 2 9 VAL N 2 9 VAL CA 2 9 VAL CB 2 9 VAL CG1 30.00 90.00 58.06 58.06 58.06 . . 0 "[ ]"
99 . 1 22 VAL N 1 22 VAL CA 1 22 VAL CB 1 22 VAL CG1 30.00 90.00 58.44 58.44 58.44 . . 0 "[ ]"
100 . 2 22 VAL N 2 22 VAL CA 2 22 VAL CB 2 22 VAL CG1 30.00 90.00 58.59 58.59 58.59 . . 0 "[ ]"
101 . 1 41 VAL N 1 41 VAL CA 1 41 VAL CB 1 41 VAL CG1 140.00 -140.00 149.13 149.13 149.13 . . 0 "[ ]"
102 . 2 41 VAL N 2 41 VAL CA 2 41 VAL CB 2 41 VAL CG1 140.00 -140.00 149.09 149.09 149.09 . . 0 "[ ]"
103 . 1 47 VAL N 1 47 VAL CA 1 47 VAL CB 1 47 VAL CG1 30.00 90.00 75.54 75.54 75.54 . . 0 "[ ]"
104 . 2 47 VAL N 2 47 VAL CA 2 47 VAL CB 2 47 VAL CG1 30.00 90.00 75.47 75.47 75.47 . . 0 "[ ]"
105 . 1 60 VAL N 1 60 VAL CA 1 60 VAL CB 1 60 VAL CG1 150.00 -150.00 176.93 176.93 176.93 . . 0 "[ ]"
106 . 2 60 VAL N 2 60 VAL CA 2 60 VAL CB 2 60 VAL CG1 150.00 -150.00 176.93 176.93 176.93 . . 0 "[ ]"
107 . 1 10 THR N 1 10 THR CA 1 10 THR CB 1 10 THR OG1 -100.00 -20.00 -40.68 -40.68 -40.68 . . 0 "[ ]"
108 . 2 10 THR N 2 10 THR CA 2 10 THR CB 2 10 THR OG1 -100.00 -20.00 -40.71 -40.71 -40.71 . . 0 "[ ]"
109 . 1 16 THR N 1 16 THR CA 1 16 THR CB 1 16 THR OG1 140.00 -140.00 144.74 144.74 144.74 . . 0 "[ ]"
110 . 2 16 THR N 2 16 THR CA 2 16 THR CB 2 16 THR OG1 140.00 -140.00 144.70 144.70 144.70 . . 0 "[ ]"
111 . 1 32 THR N 1 32 THR CA 1 32 THR CB 1 32 THR OG1 20.00 100.00 19.47 19.47 19.47 0.53 1 0 "[ ]"
112 . 2 32 THR N 2 32 THR CA 2 32 THR CB 2 32 THR OG1 20.00 100.00 19.41 19.41 19.41 0.59 1 0 "[ ]"
113 . 1 45 THR N 1 45 THR CA 1 45 THR CB 1 45 THR OG1 30.00 90.00 38.47 38.47 38.47 . . 0 "[ ]"
114 . 2 45 THR N 2 45 THR CA 2 45 THR CB 2 45 THR OG1 30.00 90.00 38.47 38.47 38.47 . . 0 "[ ]"
115 . 1 20 ILE N 1 20 ILE CA 1 20 ILE CB 1 20 ILE CG1 -100.00 -20.00 -92.60 -92.60 -92.60 . . 0 "[ ]"
116 . 2 20 ILE N 2 20 ILE CA 2 20 ILE CB 2 20 ILE CG1 -100.00 -20.00 -92.56 -92.56 -92.56 . . 0 "[ ]"
117 . 1 31 ILE N 1 31 ILE CA 1 31 ILE CB 1 31 ILE CG1 -90.00 -30.00 -90.00 -90.00 -90.00 0.00 1 0 "[ ]"
118 . 2 31 ILE N 2 31 ILE CA 2 31 ILE CB 2 31 ILE CG1 -90.00 -30.00 -90.06 -90.06 -90.06 0.06 1 0 "[ ]"
119 . 1 42 ILE N 1 42 ILE CA 1 42 ILE CB 1 42 ILE CG1 -90.00 -30.00 -48.15 -48.15 -48.15 . . 0 "[ ]"
120 . 2 42 ILE N 2 42 ILE CA 2 42 ILE CB 2 42 ILE CG1 -90.00 -30.00 -48.26 -48.26 -48.26 . . 0 "[ ]"
121 . 1 46 ILE N 1 46 ILE CA 1 46 ILE CB 1 46 ILE CG1 0.00 120.00 46.42 46.42 46.42 . . 0 "[ ]"
122 . 2 46 ILE N 2 46 ILE CA 2 46 ILE CB 2 46 ILE CG1 0.00 120.00 46.42 46.42 46.42 . . 0 "[ ]"
123 . 1 68 ASP N 1 68 ASP CA 1 68 ASP CB 1 68 ASP CG -120.00 0.00 -121.38 -121.38 -121.38 1.38 1 0 "[ ]"
124 . 2 68 ASP N 2 68 ASP CA 2 68 ASP CB 2 68 ASP CG -120.00 0.00 -121.46 -121.46 -121.46 1.46 1 0 "[ ]"
125 . 1 67 LEU N 1 67 LEU CA 1 67 LEU CB 1 67 LEU CG -120.00 0.00 -40.33 -40.33 -40.33 . . 0 "[ ]"
126 . 2 67 LEU N 2 67 LEU CA 2 67 LEU CB 2 67 LEU CG -120.00 0.00 -40.39 -40.39 -40.39 . . 0 "[ ]"
127 . 1 63 SER N 1 63 SER CA 1 63 SER CB 1 63 SER OG -120.00 0.00 -35.42 -35.42 -35.42 . . 0 "[ ]"
128 . 2 63 SER N 2 63 SER CA 2 63 SER CB 2 63 SER OG -120.00 0.00 -35.43 -35.43 -35.43 . . 0 "[ ]"
129 . 1 59 TRP N 1 59 TRP CA 1 59 TRP CB 1 59 TRP CG 0.00 120.00 76.20 76.20 76.20 . . 0 "[ ]"
130 . 2 59 TRP N 2 59 TRP CA 2 59 TRP CB 2 59 TRP CG 0.00 120.00 76.17 76.17 76.17 . . 0 "[ ]"
131 . 1 57 GLN N 1 57 GLN CA 1 57 GLN CB 1 57 GLN CG -120.00 0.00 -113.56 -113.56 -113.56 . . 0 "[ ]"
132 . 2 57 GLN N 2 57 GLN CA 2 57 GLN CB 2 57 GLN CG -120.00 0.00 -113.51 -113.51 -113.51 . . 0 "[ ]"
133 . 1 52 CYS N 1 52 CYS CA 1 52 CYS CB 1 52 CYS SG -120.00 0.00 -73.00 -73.00 -73.00 . . 0 "[ ]"
134 . 2 52 CYS N 2 52 CYS CA 2 52 CYS CB 2 52 CYS SG -120.00 0.00 -73.00 -73.00 -73.00 . . 0 "[ ]"
135 . 1 50 GLU N 1 50 GLU CA 1 50 GLU CB 1 50 GLU CG -120.00 0.00 -76.51 -76.51 -76.51 . . 0 "[ ]"
136 . 2 50 GLU N 2 50 GLU CA 2 50 GLU CB 2 50 GLU CG -120.00 0.00 -76.51 -76.51 -76.51 . . 0 "[ ]"
137 . 1 49 LYS N 1 49 LYS CA 1 49 LYS CB 1 49 LYS CG -120.00 0.00 -120.56 -120.56 -120.56 0.56 1 0 "[ ]"
138 . 2 49 LYS N 2 49 LYS CA 2 49 LYS CB 2 49 LYS CG -120.00 0.00 -120.61 -120.61 -120.61 0.61 1 0 "[ ]"
139 . 1 44 LYS N 1 44 LYS CA 1 44 LYS CB 1 44 LYS CG 120.00 -120.00 -119.22 -119.22 -119.22 0.78 1 0 "[ ]"
140 . 2 44 LYS N 2 44 LYS CA 2 44 LYS CB 2 44 LYS CG 120.00 -120.00 -119.23 -119.23 -119.23 0.77 1 0 "[ ]"
141 . 1 43 PHE N 1 43 PHE CA 1 43 PHE CB 1 43 PHE CG -120.00 0.00 -87.18 -87.18 -87.18 . . 0 "[ ]"
142 . 2 43 PHE N 2 43 PHE CA 2 43 PHE CB 2 43 PHE CG -120.00 0.00 -87.17 -87.17 -87.17 . . 0 "[ ]"
143 . 1 36 CYS N 1 36 CYS CA 1 36 CYS CB 1 36 CYS SG -120.00 0.00 -72.38 -72.38 -72.38 . . 0 "[ ]"
144 . 2 36 CYS N 2 36 CYS CA 2 36 CYS CB 2 36 CYS SG -120.00 0.00 -72.39 -72.39 -72.39 . . 0 "[ ]"
145 . 1 35 LYS N 1 35 LYS CA 1 35 LYS CB 1 35 LYS CG -120.00 0.00 -120.85 -120.85 -120.85 0.85 1 0 "[ ]"
146 . 2 35 LYS N 2 35 LYS CA 2 35 LYS CB 2 35 LYS CG -120.00 0.00 -120.82 -120.82 -120.82 0.82 1 0 "[ ]"
147 . 1 28 TYR N 1 28 TYR CA 1 28 TYR CB 1 28 TYR CG 0.00 120.00 121.55 121.55 121.55 1.55 1 0 "[ ]"
148 . 2 28 TYR N 2 28 TYR CA 2 28 TYR CB 2 28 TYR CG 0.00 120.00 121.50 121.50 121.50 1.50 1 0 "[ ]"
149 . 1 25 LEU N 1 25 LEU CA 1 25 LEU CB 1 25 LEU CG -120.00 0.00 -56.20 -56.20 -56.20 . . 0 "[ ]"
150 . 2 25 LEU N 2 25 LEU CA 2 25 LEU CB 2 25 LEU CG -120.00 0.00 -56.20 -56.20 -56.20 . . 0 "[ ]"
151 . 1 23 GLN N 1 23 GLN CA 1 23 GLN CB 1 23 GLN CG 0.00 120.00 115.90 115.90 115.90 . . 0 "[ ]"
152 . 2 23 GLN N 2 23 GLN CA 2 23 GLN CB 2 23 GLN CG 0.00 120.00 115.90 115.90 115.90 . . 0 "[ ]"
153 . 1 15 PHE N 1 15 PHE CA 1 15 PHE CB 1 15 PHE CG -120.00 0.00 -62.19 -62.19 -62.19 . . 0 "[ ]"
154 . 2 15 PHE N 2 15 PHE CA 2 15 PHE CB 2 15 PHE CG -120.00 0.00 -62.17 -62.17 -62.17 . . 0 "[ ]"
155 . 1 14 ASN N 1 14 ASN CA 1 14 ASN CB 1 14 ASN CG -120.00 0.00 -58.25 -58.25 -58.25 . . 0 "[ ]"
156 . 2 14 ASN N 2 14 ASN CA 2 14 ASN CB 2 14 ASN CG -120.00 0.00 -58.28 -58.28 -58.28 . . 0 "[ ]"
157 . 1 12 CYS N 1 12 CYS CA 1 12 CYS CB 1 12 CYS SG -120.00 0.00 -48.38 -48.38 -48.38 . . 0 "[ ]"
158 . 2 12 CYS N 2 12 CYS CA 2 12 CYS CB 2 12 CYS SG -120.00 0.00 -48.41 -48.41 -48.41 . . 0 "[ ]"
159 . 1 11 CYS N 1 11 CYS CA 1 11 CYS CB 1 11 CYS SG -120.00 0.00 -48.43 -48.43 -48.43 . . 0 "[ ]"
160 . 2 11 CYS N 2 11 CYS CA 2 11 CYS CB 2 11 CYS SG -120.00 0.00 -48.46 -48.46 -48.46 . . 0 "[ ]"
161 . 1 6 ASN N 1 6 ASN CA 1 6 ASN CB 1 6 ASN CG -120.00 0.00 0.87 0.87 0.87 0.87 1 0 "[ ]"
162 . 2 6 ASN N 2 6 ASN CA 2 6 ASN CB 2 6 ASN CG -120.00 0.00 0.81 0.81 0.81 0.81 1 0 "[ ]"
163 . 1 25 LEU CA 1 25 LEU CB 1 25 LEU CG 1 25 LEU CD1 150.00 -150.00 -173.78 -173.78 -173.78 . . 0 "[ ]"
164 . 2 25 LEU CA 2 25 LEU CB 2 25 LEU CG 2 25 LEU CD1 150.00 -150.00 -173.84 -173.84 -173.84 . . 0 "[ ]"
165 . 1 67 LEU CA 1 67 LEU CB 1 67 LEU CG 1 67 LEU CD1 150.00 -150.00 166.74 166.74 166.74 . . 0 "[ ]"
166 . 2 67 LEU CA 2 67 LEU CB 2 67 LEU CG 2 67 LEU CD1 150.00 -150.00 166.77 166.77 166.77 . . 0 "[ ]"
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