NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
604193 |
2n8z   |
25871 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2n8z
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 214
_TA_constraint_stats_list.Viol_count 133
_TA_constraint_stats_list.Viol_total 7070.57
_TA_constraint_stats_list.Viol_max 9.97
_TA_constraint_stats_list.Viol_rms 0.72
_TA_constraint_stats_list.Viol_average_all_restraints 0.08
_TA_constraint_stats_list.Viol_average_violations_only 2.66
_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 ILE C 1 5 SER N 1 5 SER CA 1 5 SER C -92.00 -52.00 -87.35 -95.59 -81.04 3.59 12 0 "[ . 1 . 2]"
2 . 1 5 SER N 1 5 SER CA 1 5 SER C 1 6 GLN N 136.50 176.90 169.73 169.26 167.78 0.07 12 0 "[ . 1 . 2]"
3 . 1 5 SER C 1 6 GLN N 1 6 GLN CA 1 6 GLN C -82.10 -42.10 -62.84 -61.98 -62.56 . . 0 "[ . 1 . 2]"
4 . 1 6 GLN N 1 6 GLN CA 1 6 GLN C 1 7 GLU N -56.50 -16.50 -34.87 -37.92 -39.13 . . 0 "[ . 1 . 2]"
5 . 1 6 GLN C 1 7 GLU N 1 7 GLU CA 1 7 GLU C -84.70 -44.70 -73.49 -74.39 -74.66 . . 0 "[ . 1 . 2]"
6 . 1 7 GLU N 1 7 GLU CA 1 7 GLU C 1 8 GLN N -57.10 -17.10 -26.13 -42.37 -20.06 . . 0 "[ . 1 . 2]"
7 . 1 7 GLU C 1 8 GLN N 1 8 GLN CA 1 8 GLN C -84.80 -44.80 -70.68 -72.77 -73.02 . . 0 "[ . 1 . 2]"
8 . 1 8 GLN N 1 8 GLN CA 1 8 GLN C 1 9 MET N -64.80 -24.80 -57.13 -62.42 -53.59 . . 0 "[ . 1 . 2]"
9 . 1 8 GLN C 1 9 MET N 1 9 MET CA 1 9 MET C -83.20 -43.20 -57.76 -58.51 -58.98 . . 0 "[ . 1 . 2]"
10 . 1 9 MET N 1 9 MET CA 1 9 MET C 1 10 ASN N -61.00 -21.00 -25.88 -28.80 -23.95 . . 0 "[ . 1 . 2]"
11 . 1 9 MET C 1 10 ASN N 1 10 ASN CA 1 10 ASN C -84.30 -44.30 -62.67 -65.62 -60.49 . . 0 "[ . 1 . 2]"
12 . 1 10 ASN N 1 10 ASN CA 1 10 ASN C 1 11 GLU N -57.30 -17.30 -54.66 -54.45 -54.68 . . 0 "[ . 1 . 2]"
13 . 1 10 ASN C 1 11 GLU N 1 11 GLU CA 1 11 GLU C -82.90 -42.90 -71.80 -74.54 -68.84 . . 0 "[ . 1 . 2]"
14 . 1 11 GLU N 1 11 GLU CA 1 11 GLU C 1 12 PHE N -65.60 -25.60 -32.20 -32.36 -33.28 . . 0 "[ . 1 . 2]"
15 . 1 11 GLU C 1 12 PHE N 1 12 PHE CA 1 12 PHE C -85.20 -45.20 -60.43 -60.49 -60.77 . . 0 "[ . 1 . 2]"
16 . 1 12 PHE N 1 12 PHE CA 1 12 PHE C 1 13 ARG N -62.80 -4.20 -47.80 -51.64 -42.42 . . 0 "[ . 1 . 2]"
17 . 1 12 PHE C 1 13 ARG N 1 13 ARG CA 1 13 ARG C -84.80 -44.80 -67.74 -65.67 -66.52 . . 0 "[ . 1 . 2]"
18 . 1 13 ARG N 1 13 ARG CA 1 13 ARG C 1 14 ALA N -61.40 -13.20 -41.99 -45.37 -39.24 . . 0 "[ . 1 . 2]"
19 . 1 13 ARG C 1 14 ALA N 1 14 ALA CA 1 14 ALA C -83.70 -43.70 -66.32 -62.46 -63.86 . . 0 "[ . 1 . 2]"
20 . 1 14 ALA N 1 14 ALA CA 1 14 ALA C 1 15 SER N -58.90 -18.90 -38.72 -39.24 -39.48 . . 0 "[ . 1 . 2]"
21 . 1 14 ALA C 1 15 SER N 1 15 SER CA 1 15 SER C -85.60 -45.60 -68.37 -67.68 -68.56 . . 0 "[ . 1 . 2]"
22 . 1 15 SER N 1 15 SER CA 1 15 SER C 1 16 PHE N -63.80 -23.80 -43.29 -43.97 -44.23 . . 0 "[ . 1 . 2]"
23 . 1 15 SER C 1 16 PHE N 1 16 PHE CA 1 16 PHE C -87.90 -42.30 -60.35 -62.00 -57.45 . . 0 "[ . 1 . 2]"
24 . 1 16 PHE N 1 16 PHE CA 1 16 PHE C 1 17 ASN N -63.10 -21.70 -41.50 -44.55 -39.77 . . 0 "[ . 1 . 2]"
25 . 1 16 PHE C 1 17 ASN N 1 17 ASN CA 1 17 ASN C -82.10 -42.10 -69.91 -72.23 -67.00 . . 0 "[ . 1 . 2]"
26 . 1 17 ASN N 1 17 ASN CA 1 17 ASN C 1 18 HIS N -59.40 -19.40 -31.71 -34.74 -29.21 . . 0 "[ . 1 . 2]"
27 . 1 17 ASN C 1 18 HIS N 1 18 HIS CA 1 18 HIS C -84.70 -44.70 -69.01 -70.35 -71.11 . . 0 "[ . 1 . 2]"
28 . 1 18 HIS N 1 18 HIS CA 1 18 HIS C 1 19 PHE N -58.30 -18.30 -35.00 -38.21 -40.88 . . 0 "[ . 1 . 2]"
29 . 1 18 HIS C 1 19 PHE N 1 19 PHE CA 1 19 PHE C -115.00 -60.80 -88.02 -92.22 -82.30 . . 0 "[ . 1 . 2]"
30 . 1 19 PHE N 1 19 PHE CA 1 19 PHE C 1 20 ASP N -44.10 12.30 -37.05 -41.67 -33.19 . . 0 "[ . 1 . 2]"
31 . 1 19 PHE C 1 20 ASP N 1 20 ASP CA 1 20 ASP C -150.70 -50.30 -90.79 -91.67 -92.93 . . 0 "[ . 1 . 2]"
32 . 1 20 ASP N 1 20 ASP CA 1 20 ASP C 1 21 ARG N 60.00 100.40 70.46 67.92 77.52 . . 0 "[ . 1 . 2]"
33 . 1 20 ASP C 1 21 ARG N 1 21 ARG CA 1 21 ARG C -85.60 -38.20 -77.16 -75.61 -78.35 . . 0 "[ . 1 . 2]"
34 . 1 21 ARG N 1 21 ARG CA 1 21 ARG C 1 22 ASP N -63.20 1.20 -4.06 -2.41 -3.79 . . 0 "[ . 1 . 2]"
35 . 1 21 ARG C 1 22 ASP N 1 22 ASP CA 1 22 ASP C -112.40 -72.40 -92.69 -97.89 -87.43 . . 0 "[ . 1 . 2]"
36 . 1 22 ASP N 1 22 ASP CA 1 22 ASP C 1 23 HIS N -11.50 28.50 -8.52 -11.52 -14.21 4.69 13 0 "[ . 1 . 2]"
37 . 1 22 ASP C 1 23 HIS N 1 23 HIS CA 1 23 HIS C 30.80 90.20 49.87 39.01 61.17 . . 0 "[ . 1 . 2]"
38 . 1 23 HIS N 1 23 HIS CA 1 23 HIS C 1 24 SER N -12.20 75.00 38.33 34.66 41.19 . . 0 "[ . 1 . 2]"
39 . 1 24 SER C 1 25 GLY N 1 25 GLY CA 1 25 GLY C 67.10 107.10 92.63 94.20 93.96 . . 0 "[ . 1 . 2]"
40 . 1 25 GLY N 1 25 GLY CA 1 25 GLY C 1 26 THR N -16.20 23.80 0.49 0.43 -0.21 . . 0 "[ . 1 . 2]"
41 . 1 25 GLY C 1 26 THR N 1 26 THR CA 1 26 THR C 172.40 -85.80 -147.88 -151.17 -143.73 . . 0 "[ . 1 . 2]"
42 . 1 26 THR N 1 26 THR CA 1 26 THR C 1 27 LEU N 136.90 -173.90 157.35 154.93 154.65 . . 0 "[ . 1 . 2]"
43 . 1 26 THR C 1 27 LEU N 1 27 LEU CA 1 27 LEU C -164.10 -103.10 -139.37 -137.70 -138.27 . . 0 "[ . 1 . 2]"
44 . 1 27 LEU N 1 27 LEU CA 1 27 LEU C 1 28 GLY N 135.30 175.30 173.00 173.38 173.20 . . 0 "[ . 1 . 2]"
45 . 1 27 LEU C 1 28 GLY N 1 28 GLY CA 1 28 GLY C -152.70 -21.10 -80.77 -79.65 -80.23 . . 0 "[ . 1 . 2]"
46 . 1 28 GLY N 1 28 GLY CA 1 28 GLY C 1 29 PRO N 78.60 -156.60 175.00 171.01 -178.66 . . 0 "[ . 1 . 2]"
47 . 1 29 PRO C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -84.90 -44.90 -80.84 -74.42 -77.50 0.93 5 0 "[ . 1 . 2]"
48 . 1 30 GLU N 1 30 GLU CA 1 30 GLU C 1 31 GLU N -58.30 -18.30 -36.73 -40.32 -33.63 . . 0 "[ . 1 . 2]"
49 . 1 30 GLU C 1 31 GLU N 1 31 GLU CA 1 31 GLU C -86.70 -46.70 -64.82 -70.28 -60.63 . . 0 "[ . 1 . 2]"
50 . 1 31 GLU N 1 31 GLU CA 1 31 GLU C 1 32 PHE N -61.80 -21.80 -53.69 -56.24 -48.77 . . 0 "[ . 1 . 2]"
51 . 1 31 GLU C 1 32 PHE N 1 32 PHE CA 1 32 PHE C -85.60 -45.60 -60.74 -59.09 -59.35 . . 0 "[ . 1 . 2]"
52 . 1 32 PHE N 1 32 PHE CA 1 32 PHE C 1 33 LYS N -61.40 -21.40 -30.15 -33.52 -25.40 . . 0 "[ . 1 . 2]"
53 . 1 32 PHE C 1 33 LYS N 1 33 LYS CA 1 33 LYS C -75.50 -35.50 -64.61 -66.04 -67.07 . . 0 "[ . 1 . 2]"
54 . 1 33 LYS N 1 33 LYS CA 1 33 LYS C 1 34 ALA N -67.70 -27.70 -45.85 -48.79 -42.30 . . 0 "[ . 1 . 2]"
55 . 1 33 LYS C 1 34 ALA N 1 34 ALA CA 1 34 ALA C -84.50 -44.50 -72.14 -76.50 -69.15 . . 0 "[ . 1 . 2]"
56 . 1 34 ALA N 1 34 ALA CA 1 34 ALA C 1 35 CYS N -60.50 -20.50 -24.81 -25.95 -26.55 . . 0 "[ . 1 . 2]"
57 . 1 34 ALA C 1 35 CYS N 1 35 CYS CA 1 35 CYS C -82.90 -42.90 -62.93 -65.29 -60.70 . . 0 "[ . 1 . 2]"
58 . 1 35 CYS N 1 35 CYS CA 1 35 CYS C 1 36 LEU N -64.60 -24.60 -34.47 -39.56 -28.51 . . 0 "[ . 1 . 2]"
59 . 1 35 CYS C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -83.20 -43.20 -67.58 -67.95 -68.60 . . 0 "[ . 1 . 2]"
60 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 ILE N -62.90 -22.90 -33.14 -34.26 -35.65 . . 0 "[ . 1 . 2]"
61 . 1 36 LEU C 1 37 ILE N 1 37 ILE CA 1 37 ILE C -84.80 -44.80 -59.22 -61.00 -57.52 . . 0 "[ . 1 . 2]"
62 . 1 37 ILE N 1 37 ILE CA 1 37 ILE C 1 38 SER N -63.60 -23.60 -33.67 -32.87 -33.21 . . 0 "[ . 1 . 2]"
63 . 1 37 ILE C 1 38 SER N 1 38 SER CA 1 38 SER C -83.50 -43.50 -63.15 -67.88 -60.35 . . 0 "[ . 1 . 2]"
64 . 1 38 SER N 1 38 SER CA 1 38 SER C 1 39 LEU N -54.30 -8.70 -19.77 -23.59 -16.72 . . 0 "[ . 1 . 2]"
65 . 1 38 SER C 1 39 LEU N 1 39 LEU CA 1 39 LEU C -108.40 -63.60 -94.38 -94.93 -95.55 . . 0 "[ . 1 . 2]"
66 . 1 39 LEU N 1 39 LEU CA 1 39 LEU C 1 40 GLY N -32.20 22.20 -17.91 -24.19 -13.38 . . 0 "[ . 1 . 2]"
67 . 1 45 ASN C 1 46 ASP N 1 46 ASP CA 1 46 ASP C -142.00 -12.40 -80.60 -131.33 -66.59 . . 0 "[ . 1 . 2]"
68 . 1 46 ASP N 1 46 ASP CA 1 46 ASP C 1 47 PRO N 68.50 -162.30 152.99 160.35 156.56 . . 0 "[ . 1 . 2]"
69 . 1 47 PRO C 1 48 GLN N 1 48 GLN CA 1 48 GLN C -85.30 -45.30 -81.41 -85.29 -76.97 . . 0 "[ . 1 . 2]"
70 . 1 48 GLN N 1 48 GLN CA 1 48 GLN C 1 49 GLY N -59.90 -19.90 -37.80 -41.20 -35.59 . . 0 "[ . 1 . 2]"
71 . 1 48 GLN C 1 49 GLY N 1 49 GLY CA 1 49 GLY C -88.70 -48.70 -65.04 -65.70 -65.80 . . 0 "[ . 1 . 2]"
72 . 1 49 GLY N 1 49 GLY CA 1 49 GLY C 1 50 GLU N -60.00 -20.00 -45.25 -56.92 -39.37 . . 0 "[ . 1 . 2]"
73 . 1 49 GLY C 1 50 GLU N 1 50 GLU CA 1 50 GLU C -81.30 -41.30 -59.99 -58.96 -59.52 . . 0 "[ . 1 . 2]"
74 . 1 50 GLU N 1 50 GLU CA 1 50 GLU C 1 51 ALA N -60.60 -19.60 -35.20 -33.79 -34.31 . . 0 "[ . 1 . 2]"
75 . 1 50 GLU C 1 51 ALA N 1 51 ALA CA 1 51 ALA C -85.10 -45.10 -63.73 -64.79 -65.23 . . 0 "[ . 1 . 2]"
76 . 1 51 ALA N 1 51 ALA CA 1 51 ALA C 1 52 GLU N -57.90 -17.90 -36.94 -44.19 -32.01 . . 0 "[ . 1 . 2]"
77 . 1 51 ALA C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -104.90 -35.10 -90.65 -97.57 -85.49 . . 0 "[ . 1 . 2]"
78 . 1 52 GLU N 1 52 GLU CA 1 52 GLU C 1 53 PHE N -58.70 -16.90 -21.88 -21.15 -22.35 2.75 15 0 "[ . 1 . 2]"
79 . 1 52 GLU C 1 53 PHE N 1 53 PHE CA 1 53 PHE C -81.70 -41.70 -71.76 -79.38 -66.24 . . 0 "[ . 1 . 2]"
80 . 1 53 PHE N 1 53 PHE CA 1 53 PHE C 1 54 ALA N -61.70 -21.70 -33.34 -33.31 -33.52 . . 0 "[ . 1 . 2]"
81 . 1 53 PHE C 1 54 ALA N 1 54 ALA CA 1 54 ALA C -82.40 -42.40 -60.01 -62.12 -58.63 . . 0 "[ . 1 . 2]"
82 . 1 54 ALA N 1 54 ALA CA 1 54 ALA C 1 55 ARG N -58.60 -18.60 -31.43 -34.97 -27.05 . . 0 "[ . 1 . 2]"
83 . 1 54 ALA C 1 55 ARG N 1 55 ARG CA 1 55 ARG C -83.50 -43.50 -80.79 -86.48 -73.75 2.98 8 0 "[ . 1 . 2]"
84 . 1 55 ARG N 1 55 ARG CA 1 55 ARG C 1 56 ILE N -65.90 -25.90 -34.74 -34.65 -38.43 . . 0 "[ . 1 . 2]"
85 . 1 55 ARG C 1 56 ILE N 1 56 ILE CA 1 56 ILE C -81.80 -41.80 -65.35 -69.43 -59.43 . . 0 "[ . 1 . 2]"
86 . 1 56 ILE N 1 56 ILE CA 1 56 ILE C 1 57 MET N -61.60 -21.60 -49.27 -51.48 -46.41 . . 0 "[ . 1 . 2]"
87 . 1 56 ILE C 1 57 MET N 1 57 MET CA 1 57 MET C -94.70 -40.90 -61.37 -60.84 -61.03 . . 0 "[ . 1 . 2]"
88 . 1 57 MET N 1 57 MET CA 1 57 MET C 1 58 SER N -58.90 1.10 -27.03 -31.67 -22.97 . . 0 "[ . 1 . 2]"
89 . 1 57 MET C 1 58 SER N 1 58 SER CA 1 58 SER C -86.90 -46.90 -75.49 -67.76 -70.60 . . 0 "[ . 1 . 2]"
90 . 1 58 SER N 1 58 SER CA 1 58 SER C 1 59 ILE N -60.30 -20.30 -18.61 -20.38 -16.04 4.26 13 0 "[ . 1 . 2]"
91 . 1 58 SER C 1 59 ILE N 1 59 ILE CA 1 59 ILE C -116.40 -40.80 -94.78 -98.01 -92.00 . . 0 "[ . 1 . 2]"
92 . 1 59 ILE N 1 59 ILE CA 1 59 ILE C 1 60 VAL N -64.60 -24.60 -47.19 -47.77 -47.95 . . 0 "[ . 1 . 2]"
93 . 1 59 ILE C 1 60 VAL N 1 60 VAL CA 1 60 VAL C -116.90 -64.10 -76.32 -76.40 -76.60 . . 0 "[ . 1 . 2]"
94 . 1 60 VAL N 1 60 VAL CA 1 60 VAL C 1 61 ASP N -57.20 24.20 -14.03 -14.67 -14.99 . . 0 "[ . 1 . 2]"
95 . 1 62 PRO C 1 63 ASN N 1 63 ASN CA 1 63 ASN C -108.10 -63.90 -86.75 -90.03 -91.48 . . 0 "[ . 1 . 2]"
96 . 1 63 ASN N 1 63 ASN CA 1 63 ASN C 1 64 ARG N -34.90 28.50 -8.40 -14.32 -4.63 . . 0 "[ . 1 . 2]"
97 . 1 63 ASN C 1 64 ARG N 1 64 ARG CA 1 64 ARG C 39.90 90.10 59.02 56.91 55.88 . . 0 "[ . 1 . 2]"
98 . 1 64 ARG N 1 64 ARG CA 1 64 ARG C 1 65 LEU N -13.90 70.50 46.67 41.87 50.51 . . 0 "[ . 1 . 2]"
99 . 1 65 LEU C 1 66 GLY N 1 66 GLY CA 1 66 GLY C 49.50 113.70 85.96 87.81 86.91 . . 0 "[ . 1 . 2]"
100 . 1 66 GLY N 1 66 GLY CA 1 66 GLY C 1 67 VAL N -39.20 44.20 18.93 15.71 22.09 . . 0 "[ . 1 . 2]"
101 . 1 66 GLY C 1 67 VAL N 1 67 VAL CA 1 67 VAL C -162.70 -116.10 -146.36 -146.30 -147.07 . . 0 "[ . 1 . 2]"
102 . 1 67 VAL N 1 67 VAL CA 1 67 VAL C 1 68 VAL N 137.40 177.40 156.02 149.71 163.80 . . 0 "[ . 1 . 2]"
103 . 1 67 VAL C 1 68 VAL N 1 68 VAL CA 1 68 VAL C -171.20 -49.40 -130.18 -131.06 -131.33 . . 0 "[ . 1 . 2]"
104 . 1 68 VAL N 1 68 VAL CA 1 68 VAL C 1 69 THR N 102.30 -164.10 132.36 126.78 135.23 . . 0 "[ . 1 . 2]"
105 . 1 68 VAL C 1 69 THR N 1 69 THR CA 1 69 THR C -97.40 -57.40 -97.31 -100.56 -94.16 3.16 4 0 "[ . 1 . 2]"
106 . 1 69 THR N 1 69 THR CA 1 69 THR C 1 70 PHE N 144.00 -176.00 160.11 161.11 160.85 . . 0 "[ . 1 . 2]"
107 . 1 69 THR C 1 70 PHE N 1 70 PHE CA 1 70 PHE C -79.20 -39.20 -51.76 -53.84 -54.08 . . 0 "[ . 1 . 2]"
108 . 1 70 PHE N 1 70 PHE CA 1 70 PHE C 1 71 GLN N -57.70 -17.70 -43.46 -45.92 -41.24 . . 0 "[ . 1 . 2]"
109 . 1 70 PHE C 1 71 GLN N 1 71 GLN CA 1 71 GLN C -77.80 -37.80 -72.91 -75.86 -66.08 . . 0 "[ . 1 . 2]"
110 . 1 71 GLN N 1 71 GLN CA 1 71 GLN C 1 72 ALA N -65.20 -15.20 -22.67 -23.61 -24.01 . . 0 "[ . 1 . 2]"
111 . 1 71 GLN C 1 72 ALA N 1 72 ALA CA 1 72 ALA C -92.90 -49.70 -75.54 -77.59 -71.90 . . 0 "[ . 1 . 2]"
112 . 1 72 ALA N 1 72 ALA CA 1 72 ALA C 1 73 PHE N -56.60 -16.60 -41.10 -42.89 -39.07 . . 0 "[ . 1 . 2]"
113 . 1 72 ALA C 1 73 PHE N 1 73 PHE CA 1 73 PHE C -82.10 -42.10 -68.39 -67.59 -68.08 . . 0 "[ . 1 . 2]"
114 . 1 73 PHE N 1 73 PHE CA 1 73 PHE C 1 74 ILE N -66.50 -26.50 -30.40 -30.60 -31.38 . . 0 "[ . 1 . 2]"
115 . 1 73 PHE C 1 74 ILE N 1 74 ILE CA 1 74 ILE C -86.20 -46.20 -63.87 -65.33 -62.01 . . 0 "[ . 1 . 2]"
116 . 1 74 ILE N 1 74 ILE CA 1 74 ILE C 1 75 ASP N -58.00 -18.00 -27.66 -29.55 -30.01 . . 0 "[ . 1 . 2]"
117 . 1 74 ILE C 1 75 ASP N 1 75 ASP CA 1 75 ASP C -84.90 -44.90 -61.59 -64.06 -57.18 . . 0 "[ . 1 . 2]"
118 . 1 75 ASP N 1 75 ASP CA 1 75 ASP C 1 76 PHE N -59.10 -19.10 -44.78 -53.39 -39.98 . . 0 "[ . 1 . 2]"
119 . 1 75 ASP C 1 76 PHE N 1 76 PHE CA 1 76 PHE C -85.00 -45.00 -80.97 -82.34 -83.07 0.92 13 0 "[ . 1 . 2]"
120 . 1 76 PHE N 1 76 PHE CA 1 76 PHE C 1 77 MET N -63.40 -23.40 -23.65 -25.87 -26.88 3.52 17 0 "[ . 1 . 2]"
121 . 1 76 PHE C 1 77 MET N 1 77 MET CA 1 77 MET C -94.80 -43.60 -63.13 -65.35 -66.06 . . 0 "[ . 1 . 2]"
122 . 1 77 MET N 1 77 MET CA 1 77 MET C 1 78 SER N -57.20 0.00 -33.16 -38.94 -22.51 . . 0 "[ . 1 . 2]"
123 . 1 77 MET C 1 78 SER N 1 78 SER CA 1 78 SER C -83.70 -43.70 -65.44 -73.84 -57.74 . . 0 "[ . 1 . 2]"
124 . 1 78 SER N 1 78 SER CA 1 78 SER C 1 79 ARG N -62.40 -22.40 -27.45 -36.77 -21.85 0.55 1 0 "[ . 1 . 2]"
125 . 1 78 SER C 1 79 ARG N 1 79 ARG CA 1 79 ARG C -85.70 -45.70 -81.96 -77.05 -84.08 5.29 5 1 "[ + 1 . 2]"
126 . 1 79 ARG N 1 79 ARG CA 1 79 ARG C 1 80 GLU N -65.10 -16.50 -31.04 -32.73 -33.89 . . 0 "[ . 1 . 2]"
127 . 1 79 ARG C 1 80 GLU N 1 80 GLU CA 1 80 GLU C -87.20 -47.20 -78.16 -77.16 -77.88 6.08 8 1 "[ . + 1 . 2]"
128 . 1 80 GLU N 1 80 GLU CA 1 80 GLU C 1 81 THR N -59.50 -19.50 -30.09 -26.21 -30.44 1.70 18 0 "[ . 1 . 2]"
129 . 1 80 GLU C 1 81 THR N 1 81 THR CA 1 81 THR C -124.00 -45.60 -81.51 -110.59 -62.00 . . 0 "[ . 1 . 2]"
130 . 1 81 THR N 1 81 THR CA 1 81 THR C 1 82 ALA N -60.60 17.60 -5.12 7.87 2.57 9.97 19 4 "[ . *1 -* +2]"
131 . 1 86 THR C 1 87 ALA N 1 87 ALA CA 1 87 ALA C -79.90 -39.90 -72.66 -89.48 -59.65 9.58 2 3 "[ + . - * . 2]"
132 . 1 87 ALA N 1 87 ALA CA 1 87 ALA C 1 88 ASP N -58.40 -18.40 -29.38 -18.97 -24.94 8.34 11 1 "[ . 1+ . 2]"
133 . 1 87 ALA C 1 88 ASP N 1 88 ASP CA 1 88 ASP C -85.50 -45.50 -62.42 -72.21 -52.43 . . 0 "[ . 1 . 2]"
134 . 1 88 ASP N 1 88 ASP CA 1 88 ASP C 1 89 GLN N -62.40 -22.40 -33.73 -38.27 -57.29 . . 0 "[ . 1 . 2]"
135 . 1 88 ASP C 1 89 GLN N 1 89 GLN CA 1 89 GLN C -104.70 -37.90 -58.94 -61.81 -64.75 . . 0 "[ . 1 . 2]"
136 . 1 89 GLN N 1 89 GLN CA 1 89 GLN C 1 90 VAL N -60.40 -14.00 -45.00 -53.17 -28.82 . . 0 "[ . 1 . 2]"
137 . 1 89 GLN C 1 90 VAL N 1 90 VAL CA 1 90 VAL C -88.80 -48.80 -76.63 -71.58 -73.14 . . 0 "[ . 1 . 2]"
138 . 1 90 VAL N 1 90 VAL CA 1 90 VAL C 1 91 MET N -60.20 -20.20 -32.66 -38.95 -42.23 . . 0 "[ . 1 . 2]"
139 . 1 90 VAL C 1 91 MET N 1 91 MET CA 1 91 MET C -79.60 -39.60 -67.18 -79.55 -60.57 . . 0 "[ . 1 . 2]"
140 . 1 91 MET N 1 91 MET CA 1 91 MET C 1 92 ALA N -64.70 -15.50 -39.27 -39.33 -40.25 . . 0 "[ . 1 . 2]"
141 . 1 91 MET C 1 92 ALA N 1 92 ALA CA 1 92 ALA C -92.50 -40.10 -59.98 -60.00 -60.48 . . 0 "[ . 1 . 2]"
142 . 1 92 ALA N 1 92 ALA CA 1 92 ALA C 1 93 SER N -59.40 -19.40 -38.69 -41.73 -42.67 . . 0 "[ . 1 . 2]"
143 . 1 92 ALA C 1 93 SER N 1 93 SER CA 1 93 SER C -82.10 -42.10 -64.31 -65.04 -65.54 . . 0 "[ . 1 . 2]"
144 . 1 93 SER N 1 93 SER CA 1 93 SER C 1 94 PHE N -61.10 -21.10 -42.43 -47.52 -38.47 . . 0 "[ . 1 . 2]"
145 . 1 93 SER C 1 94 PHE N 1 94 PHE CA 1 94 PHE C -85.30 -45.30 -65.63 -73.21 -60.19 . . 0 "[ . 1 . 2]"
146 . 1 94 PHE N 1 94 PHE CA 1 94 PHE C 1 95 LYS N -62.10 -17.10 -37.80 -35.48 -36.61 . . 0 "[ . 1 . 2]"
147 . 1 94 PHE C 1 95 LYS N 1 95 LYS CA 1 95 LYS C -80.50 -40.50 -62.05 -69.32 -55.16 . . 0 "[ . 1 . 2]"
148 . 1 95 LYS N 1 95 LYS CA 1 95 LYS C 1 96 ILE N -58.60 -13.40 -24.31 -21.59 -23.36 . . 0 "[ . 1 . 2]"
149 . 1 95 LYS C 1 96 ILE N 1 96 ILE CA 1 96 ILE C -90.40 -50.40 -75.84 -83.78 -65.12 . . 0 "[ . 1 . 2]"
150 . 1 96 ILE N 1 96 ILE CA 1 96 ILE C 1 97 LEU N -57.30 -17.30 -43.97 -40.67 -42.23 . . 0 "[ . 1 . 2]"
151 . 1 96 ILE C 1 97 LEU N 1 97 LEU CA 1 97 LEU C -84.80 -44.80 -85.07 -84.93 -85.87 3.42 13 0 "[ . 1 . 2]"
152 . 1 97 LEU N 1 97 LEU CA 1 97 LEU C 1 98 ALA N -59.10 -19.10 -28.06 -33.41 -22.85 . . 0 "[ . 1 . 2]"
153 . 1 97 LEU C 1 98 ALA N 1 98 ALA CA 1 98 ALA C -108.70 -43.70 -94.84 -108.78 -69.53 0.08 15 0 "[ . 1 . 2]"
154 . 1 98 ALA N 1 98 ALA CA 1 98 ALA C 1 99 GLY N -65.50 17.50 0.49 15.70 13.11 0.06 18 0 "[ . 1 . 2]"
155 . 1 99 GLY C 1 100 ASP N 1 100 ASP CA 1 100 ASP C -113.40 -57.20 -71.50 -74.97 -79.16 . . 0 "[ . 1 . 2]"
156 . 1 100 ASP N 1 100 ASP CA 1 100 ASP C 1 101 LYS N -43.60 13.40 -20.78 -31.81 0.81 . . 0 "[ . 1 . 2]"
157 . 1 101 LYS C 1 102 ASN N 1 102 ASN CA 1 102 ASN C -139.00 -47.60 -112.22 -104.45 -106.62 . . 0 "[ . 1 . 2]"
158 . 1 102 ASN N 1 102 ASN CA 1 102 ASN C 1 103 TYR N -75.30 24.90 12.35 14.42 13.49 . . 0 "[ . 1 . 2]"
159 . 1 102 ASN C 1 103 TYR N 1 103 TYR CA 1 103 TYR C -176.00 -78.80 -157.12 -160.95 -150.07 . . 0 "[ . 1 . 2]"
160 . 1 103 TYR N 1 103 TYR CA 1 103 TYR C 1 104 ILE N 145.90 -174.10 177.12 175.82 174.84 . . 0 "[ . 1 . 2]"
161 . 1 103 TYR C 1 104 ILE N 1 104 ILE CA 1 104 ILE C -151.30 -111.30 -134.02 -137.38 -128.74 . . 0 "[ . 1 . 2]"
162 . 1 104 ILE N 1 104 ILE CA 1 104 ILE C 1 105 THR N 128.10 171.50 152.25 154.24 153.38 . . 0 "[ . 1 . 2]"
163 . 1 104 ILE C 1 105 THR N 1 105 THR CA 1 105 THR C -109.40 -54.40 -102.74 -108.41 -98.59 . . 0 "[ . 1 . 2]"
164 . 1 105 THR N 1 105 THR CA 1 105 THR C 1 106 MET N 148.10 -171.90 160.44 158.12 164.63 . . 0 "[ . 1 . 2]"
165 . 1 105 THR C 1 106 MET N 1 106 MET CA 1 106 MET C -79.30 -39.30 -59.12 -59.10 -59.65 . . 0 "[ . 1 . 2]"
166 . 1 106 MET N 1 106 MET CA 1 106 MET C 1 107 ASP N -60.20 -20.20 -34.26 -40.32 -29.75 . . 0 "[ . 1 . 2]"
167 . 1 106 MET C 1 107 ASP N 1 107 ASP CA 1 107 ASP C -79.40 -39.40 -70.24 -79.01 -62.58 . . 0 "[ . 1 . 2]"
168 . 1 107 ASP N 1 107 ASP CA 1 107 ASP C 1 108 GLU N -61.50 -21.50 -39.97 -36.83 -38.55 . . 0 "[ . 1 . 2]"
169 . 1 107 ASP C 1 108 GLU N 1 108 GLU CA 1 108 GLU C -87.10 -47.10 -67.78 -77.50 -61.05 . . 0 "[ . 1 . 2]"
170 . 1 108 GLU N 1 108 GLU CA 1 108 GLU C 1 109 LEU N -64.30 -24.30 -47.70 -55.85 -44.55 . . 0 "[ . 1 . 2]"
171 . 1 108 GLU C 1 109 LEU N 1 109 LEU CA 1 109 LEU C -85.20 -45.20 -67.60 -72.60 -63.49 . . 0 "[ . 1 . 2]"
172 . 1 109 LEU N 1 109 LEU CA 1 109 LEU C 1 110 ARG N -66.40 -26.40 -25.48 -28.77 -17.10 9.30 13 1 "[ . 1 + . 2]"
173 . 1 109 LEU C 1 110 ARG N 1 110 ARG CA 1 110 ARG C -83.30 -43.30 -71.01 -64.79 -66.55 . . 0 "[ . 1 . 2]"
174 . 1 110 ARG N 1 110 ARG CA 1 110 ARG C 1 111 ARG N -62.10 -10.70 -13.89 -13.13 -14.23 0.79 3 0 "[ . 1 . 2]"
175 . 1 110 ARG C 1 111 ARG N 1 111 ARG CA 1 111 ARG C -85.60 -45.60 -74.15 -81.10 -62.91 . . 0 "[ . 1 . 2]"
176 . 1 111 ARG N 1 111 ARG CA 1 111 ARG C 1 112 GLU N -58.60 -11.40 -27.33 -31.34 -23.44 . . 0 "[ . 1 . 2]"
177 . 1 111 ARG C 1 112 GLU N 1 112 GLU CA 1 112 GLU C -123.20 -61.40 -84.12 -97.06 -76.87 . . 0 "[ . 1 . 2]"
178 . 1 112 GLU N 1 112 GLU CA 1 112 GLU C 1 113 LEU N -61.00 20.60 -41.18 -37.93 -39.31 . . 0 "[ . 1 . 2]"
179 . 1 112 GLU C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -169.60 -63.00 -128.54 -131.55 -139.78 . . 0 "[ . 1 . 2]"
180 . 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 PRO N 25.10 151.50 80.14 75.54 84.25 . . 0 "[ . 1 . 2]"
181 . 1 115 PRO C 1 116 ASP N 1 116 ASP CA 1 116 ASP C -86.90 -46.90 -52.63 -55.51 -57.37 . . 0 "[ . 1 . 2]"
182 . 1 116 ASP N 1 116 ASP CA 1 116 ASP C 1 117 GLN N -56.30 -16.30 -16.52 -20.34 -12.78 3.52 6 0 "[ . 1 . 2]"
183 . 1 116 ASP C 1 117 GLN N 1 117 GLN CA 1 117 GLN C -86.90 -46.90 -52.36 -53.05 -53.22 . . 0 "[ . 1 . 2]"
184 . 1 117 GLN N 1 117 GLN CA 1 117 GLN C 1 118 ALA N -63.50 -23.50 -39.19 -35.81 -37.05 . . 0 "[ . 1 . 2]"
185 . 1 117 GLN C 1 118 ALA N 1 118 ALA CA 1 118 ALA C -81.80 -41.80 -64.84 -69.88 -61.32 . . 0 "[ . 1 . 2]"
186 . 1 118 ALA N 1 118 ALA CA 1 118 ALA C 1 119 GLU N -61.20 -21.20 -40.30 -39.78 -40.47 . . 0 "[ . 1 . 2]"
187 . 1 118 ALA C 1 119 GLU N 1 119 GLU CA 1 119 GLU C -82.70 -42.70 -66.41 -65.21 -65.96 . . 0 "[ . 1 . 2]"
188 . 1 119 GLU N 1 119 GLU CA 1 119 GLU C 1 120 TYR N -58.90 -18.90 -40.71 -45.13 -37.03 . . 0 "[ . 1 . 2]"
189 . 1 119 GLU C 1 120 TYR N 1 120 TYR CA 1 120 TYR C -86.40 -46.40 -66.28 -67.64 -64.88 . . 0 "[ . 1 . 2]"
190 . 1 120 TYR N 1 120 TYR CA 1 120 TYR C 1 121 CYS N -66.40 -26.40 -30.97 -35.72 -26.60 . . 0 "[ . 1 . 2]"
191 . 1 120 TYR C 1 121 CYS N 1 121 CYS CA 1 121 CYS C -79.60 -39.60 -72.22 -73.96 -76.44 . . 0 "[ . 1 . 2]"
192 . 1 121 CYS N 1 121 CYS CA 1 121 CYS C 1 122 ILE N -61.40 -21.40 -42.88 -44.73 -45.26 . . 0 "[ . 1 . 2]"
193 . 1 121 CYS C 1 122 ILE N 1 122 ILE CA 1 122 ILE C -81.60 -41.60 -62.46 -64.70 -60.45 . . 0 "[ . 1 . 2]"
194 . 1 122 ILE N 1 122 ILE CA 1 122 ILE C 1 123 ALA N -65.30 -25.30 -38.10 -42.03 -31.81 . . 0 "[ . 1 . 2]"
195 . 1 122 ILE C 1 123 ALA N 1 123 ALA CA 1 123 ALA C -92.50 -49.10 -66.51 -77.31 -62.49 . . 0 "[ . 1 . 2]"
196 . 1 123 ALA N 1 123 ALA CA 1 123 ALA C 1 124 ARG N -64.70 16.70 -14.86 -28.17 1.12 . . 0 "[ . 1 . 2]"
197 . 1 123 ALA C 1 124 ARG N 1 124 ARG CA 1 124 ARG C -124.10 -71.90 -111.30 -109.06 -116.58 0.07 15 0 "[ . 1 . 2]"
198 . 1 124 ARG N 1 124 ARG CA 1 124 ARG C 1 125 MET N -40.30 20.30 -27.66 -37.12 -12.45 . . 0 "[ . 1 . 2]"
199 . 1 125 MET C 1 126 ALA N 1 126 ALA CA 1 126 ALA C -149.80 -47.60 -83.11 -113.48 -67.92 . . 0 "[ . 1 . 2]"
200 . 1 126 ALA N 1 126 ALA CA 1 126 ALA C 1 127 PRO N 99.50 -172.90 143.78 142.82 142.31 . . 0 "[ . 1 . 2]"
201 . 1 127 PRO C 1 128 TYR N 1 128 TYR CA 1 128 TYR C -157.20 -84.40 -112.40 -113.09 -115.49 . . 0 "[ . 1 . 2]"
202 . 1 128 TYR N 1 128 TYR CA 1 128 TYR C 1 129 THR N 98.90 -176.50 129.38 138.33 133.78 . . 0 "[ . 1 . 2]"
203 . 1 136 GLY C 1 137 ALA N 1 137 ALA CA 1 137 ALA C -136.80 -36.00 -91.71 -100.51 -59.16 . . 0 "[ . 1 . 2]"
204 . 1 137 ALA N 1 137 ALA CA 1 137 ALA C 1 138 LEU N 114.70 154.70 138.98 136.38 133.75 . . 0 "[ . 1 . 2]"
205 . 1 137 ALA C 1 138 LEU N 1 138 LEU CA 1 138 LEU C -142.00 -88.60 -135.53 -135.25 -135.45 . . 0 "[ . 1 . 2]"
206 . 1 138 LEU N 1 138 LEU CA 1 138 LEU C 1 139 ASP N 120.30 168.30 140.41 141.38 140.73 . . 0 "[ . 1 . 2]"
207 . 1 138 LEU C 1 139 ASP N 1 139 ASP CA 1 139 ASP C -149.70 -46.50 -90.20 -93.99 -87.24 . . 0 "[ . 1 . 2]"
208 . 1 139 ASP N 1 139 ASP CA 1 139 ASP C 1 140 TYR N 111.10 169.10 105.31 111.07 108.52 9.89 13 13 "[* *****-*1* + . ** *]"
209 . 1 140 TYR C 1 141 MET N 1 141 MET CA 1 141 MET C -91.50 -51.50 -65.10 -68.74 -62.40 . . 0 "[ . 1 . 2]"
210 . 1 141 MET N 1 141 MET CA 1 141 MET C 1 142 SER N -43.50 -3.50 -26.99 -27.42 -28.80 . . 0 "[ . 1 . 2]"
211 . 1 141 MET C 1 142 SER N 1 142 SER CA 1 142 SER C -129.10 -66.50 -86.60 -94.61 -77.01 . . 0 "[ . 1 . 2]"
212 . 1 142 SER N 1 142 SER CA 1 142 SER C 1 143 PHE N -41.00 40.40 -18.71 -28.71 -32.18 . . 0 "[ . 1 . 2]"
213 . 1 144 SER C 1 145 THR N 1 145 THR CA 1 145 THR C -109.20 -32.60 -107.80 -110.08 -114.69 7.86 18 3 "[* .- 1 . + 2]"
214 . 1 145 THR N 1 145 THR CA 1 145 THR C 1 146 ALA N -47.10 19.30 -12.58 -7.73 -8.30 . . 0 "[ . 1 . 2]"
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