NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
613573 |
5u87   |
30209 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_5u87
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 207
_TA_constraint_stats_list.Viol_count 332
_TA_constraint_stats_list.Viol_total 5088.10
_TA_constraint_stats_list.Viol_max 4.70
_TA_constraint_stats_list.Viol_rms 0.29
_TA_constraint_stats_list.Viol_average_all_restraints 0.06
_TA_constraint_stats_list.Viol_average_violations_only 0.77
_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 1 GLY C 1 2 ARG N 1 2 ARG CA 1 2 ARG C -94.30 -54.30 -87.66 -95.96 -71.90 1.66 17 0 "[ . 1 . 2]"
2 . 1 2 ARG N 1 2 ARG CA 1 2 ARG C 1 3 CYS N 128.00 168.00 138.57 145.16 143.41 1.64 5 0 "[ . 1 . 2]"
3 . 1 2 ARG N 1 2 ARG CA 1 2 ARG CB 1 2 ARG CG -90.00 -30.00 -60.76 -57.74 -59.16 . . 0 "[ . 1 . 2]"
4 . 1 2 ARG C 1 3 CYS N 1 3 CYS CA 1 3 CYS C -153.70 -113.70 -130.59 -129.12 -132.92 0.18 11 0 "[ . 1 . 2]"
5 . 1 3 CYS N 1 3 CYS CA 1 3 CYS C 1 4 THR N 130.00 170.00 149.14 147.82 146.37 . . 0 "[ . 1 . 2]"
6 . 1 3 CYS C 1 4 THR N 1 4 THR CA 1 4 THR C 147.90 -4.70 -78.01 -79.43 -81.79 . . 0 "[ . 1 . 2]"
7 . 1 4 THR N 1 4 THR CA 1 4 THR C 1 5 LYS N 95.70 -155.10 155.58 140.38 172.37 . . 0 "[ . 1 . 2]"
8 . 1 4 THR N 1 4 THR CA 1 4 THR CB 1 4 THR OG1 30.00 90.00 58.35 57.13 55.84 . . 0 "[ . 1 . 2]"
9 . 1 5 LYS N 1 5 LYS CA 1 5 LYS CB 1 5 LYS CG -90.00 -30.00 -61.72 -81.42 -49.74 . . 0 "[ . 1 . 2]"
10 . 1 5 LYS C 1 6 SER N 1 6 SER CA 1 6 SER C 177.60 -119.20 -148.28 -153.14 -156.27 . . 0 "[ . 1 . 2]"
11 . 1 6 SER N 1 6 SER CA 1 6 SER C 1 7 ILE N 131.20 -168.80 166.37 169.66 168.37 . . 0 "[ . 1 . 2]"
12 . 1 6 SER C 1 7 ILE N 1 7 ILE CA 1 7 ILE C -128.00 -33.60 -128.80 -127.39 -128.22 1.75 8 0 "[ . 1 . 2]"
13 . 1 7 ILE N 1 7 ILE CA 1 7 ILE C 1 8 PRO N 104.20 166.40 116.78 125.35 123.16 . . 0 "[ . 1 . 2]"
14 . 1 7 ILE N 1 7 ILE CA 1 7 ILE CB 1 7 ILE CG1 -90.00 -30.00 -61.23 -64.61 -57.44 . . 0 "[ . 1 . 2]"
15 . 1 8 PRO N 1 8 PRO CA 1 8 PRO C 1 9 PRO N 123.00 175.40 146.72 143.26 142.76 . . 0 "[ . 1 . 2]"
16 . 1 9 PRO N 1 9 PRO CA 1 9 PRO C 1 10 ILE N 112.90 172.90 143.58 126.82 156.98 . . 0 "[ . 1 . 2]"
17 . 1 9 PRO C 1 10 ILE N 1 10 ILE CA 1 10 ILE C -118.70 -61.50 -98.63 -92.41 -95.32 . . 0 "[ . 1 . 2]"
18 . 1 10 ILE N 1 10 ILE CA 1 10 ILE C 1 11 CYS N 108.20 151.00 113.55 111.44 110.03 0.48 1 0 "[ . 1 . 2]"
19 . 1 10 ILE N 1 10 ILE CA 1 10 ILE CB 1 10 ILE CG1 -90.00 -30.00 -53.05 -52.47 -53.47 . . 0 "[ . 1 . 2]"
20 . 1 10 ILE C 1 11 CYS N 1 11 CYS CA 1 11 CYS C -154.50 -104.90 -107.09 -123.06 -103.51 1.39 6 0 "[ . 1 . 2]"
21 . 1 11 CYS N 1 11 CYS CA 1 11 CYS C 1 12 PHE N 122.20 177.40 136.03 133.80 132.34 0.35 4 0 "[ . 1 . 2]"
22 . 1 11 CYS C 1 12 PHE N 1 12 PHE CA 1 12 PHE C -125.50 -58.70 -97.04 -125.62 -73.38 0.12 12 0 "[ . 1 . 2]"
23 . 1 12 PHE N 1 12 PHE CA 1 12 PHE C 1 13 PRO N 117.30 178.30 152.21 135.53 165.45 . . 0 "[ . 1 . 2]"
24 . 1 12 PHE N 1 12 PHE CA 1 12 PHE CB 1 12 PHE CG -90.00 -30.00 -72.02 -78.42 -66.72 . . 0 "[ . 1 . 2]"
25 . 1 13 PRO C 1 14 ASP N 1 14 ASP CA 1 14 ASP C -180.00 -20.00 -135.93 -120.91 -137.41 . . 0 "[ . 1 . 2]"
26 . 1 15 GLY C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -180.00 -20.00 -133.72 -175.40 -70.76 . . 0 "[ . 1 . 2]"
27 . 1 17 ASP C 1 18 ASN N 1 18 ASN CA 1 18 ASN C -180.00 -20.00 -126.42 -136.37 -141.84 . . 0 "[ . 1 . 2]"
28 . 1 19 PRO C 1 20 ARG N 1 20 ARG CA 1 20 ARG C -180.00 -20.00 -111.60 -144.16 -83.82 . . 0 "[ . 1 . 2]"
29 . 1 20 ARG N 1 20 ARG CA 1 20 ARG CB 1 20 ARG CG -90.00 -30.00 -53.81 -64.93 -32.81 . . 0 "[ . 1 . 2]"
30 . 1 21 GLY C 1 22 CYS N 1 22 CYS CA 1 22 CYS C -98.50 -58.50 -74.56 -91.43 -57.67 0.83 1 0 "[ . 1 . 2]"
31 . 1 22 CYS N 1 22 CYS CA 1 22 CYS C 1 23 GLN N 113.80 153.80 131.29 124.58 121.06 0.56 15 0 "[ . 1 . 2]"
32 . 1 22 CYS C 1 23 GLN N 1 23 GLN CA 1 23 GLN C -106.30 -58.70 -103.97 -107.60 -96.68 1.30 2 0 "[ . 1 . 2]"
33 . 1 23 GLN N 1 23 GLN CA 1 23 GLN C 1 24 ILE N 87.90 144.90 108.92 116.82 114.38 . . 0 "[ . 1 . 2]"
34 . 1 23 GLN C 1 24 ILE N 1 24 ILE CA 1 24 ILE C -126.10 -77.50 -110.74 -115.08 -119.93 . . 0 "[ . 1 . 2]"
35 . 1 24 ILE N 1 24 ILE CA 1 24 ILE C 1 25 ARG N 104.10 144.10 137.77 137.58 134.41 1.98 7 0 "[ . 1 . 2]"
36 . 1 24 ILE N 1 24 ILE CA 1 24 ILE CB 1 24 ILE CG1 -90.00 -30.00 -49.58 -53.24 -45.80 . . 0 "[ . 1 . 2]"
37 . 1 24 ILE C 1 25 ARG N 1 25 ARG CA 1 25 ARG C -107.60 -67.60 -68.83 -70.58 -71.61 1.96 7 0 "[ . 1 . 2]"
38 . 1 25 ARG N 1 25 ARG CA 1 25 ARG C 1 26 ILE N 75.50 141.90 119.02 114.14 124.20 . . 0 "[ . 1 . 2]"
39 . 1 25 ARG C 1 26 ILE N 1 26 ILE CA 1 26 ILE C -92.40 -32.40 -65.06 -65.67 -66.75 . . 0 "[ . 1 . 2]"
40 . 1 26 ILE N 1 26 ILE CA 1 26 ILE C 1 27 GLN N -60.00 0.00 -15.39 -16.42 -16.65 . . 0 "[ . 1 . 2]"
41 . 1 26 ILE C 1 27 GLN N 1 27 GLN CA 1 27 GLN C -85.40 -45.40 -76.33 -74.00 -74.87 . . 0 "[ . 1 . 2]"
42 . 1 27 GLN N 1 27 GLN CA 1 27 GLN C 1 28 GLN N -44.20 -4.20 -17.54 -23.21 -8.89 . . 0 "[ . 1 . 2]"
43 . 1 27 GLN C 1 28 GLN N 1 28 GLN CA 1 28 GLN C -98.00 -58.00 -87.01 -83.73 -83.83 0.63 12 0 "[ . 1 . 2]"
44 . 1 28 GLN N 1 28 GLN CA 1 28 GLN C 1 29 LEU N -35.00 6.80 -21.04 -18.50 -18.80 . . 0 "[ . 1 . 2]"
45 . 1 29 LEU N 1 29 LEU CA 1 29 LEU CB 1 29 LEU CG -90.00 -30.00 -67.26 -69.38 -70.90 . . 0 "[ . 1 . 2]"
46 . 1 29 LEU C 1 30 ASN N 1 30 ASN CA 1 30 ASN C -80.10 -40.10 -54.61 -59.14 -50.38 . . 0 "[ . 1 . 2]"
47 . 1 30 ASN N 1 30 ASN CA 1 30 ASN C 1 31 HIS N -62.20 -22.20 -34.16 -32.96 -33.82 . . 0 "[ . 1 . 2]"
48 . 1 30 ASN C 1 31 HIS N 1 31 HIS CA 1 31 HIS C -82.90 -42.90 -69.66 -72.23 -66.28 . . 0 "[ . 1 . 2]"
49 . 1 31 HIS N 1 31 HIS CA 1 31 HIS C 1 32 CYS N -64.20 -24.20 -54.35 -58.33 -50.35 . . 0 "[ . 1 . 2]"
50 . 1 31 HIS C 1 32 CYS N 1 32 CYS CA 1 32 CYS C -89.20 -49.20 -55.19 -56.47 -58.11 . . 0 "[ . 1 . 2]"
51 . 1 32 CYS N 1 32 CYS CA 1 32 CYS C 1 33 GLN N -57.40 -17.40 -50.75 -47.50 -48.73 . . 0 "[ . 1 . 2]"
52 . 1 32 CYS C 1 33 GLN N 1 33 GLN CA 1 33 GLN C -82.70 -42.70 -51.42 -54.55 -47.88 . . 0 "[ . 1 . 2]"
53 . 1 33 GLN N 1 33 GLN CA 1 33 GLN C 1 34 MET N -64.10 -24.10 -57.66 -61.34 -52.15 . . 0 "[ . 1 . 2]"
54 . 1 33 GLN C 1 34 MET N 1 34 MET CA 1 34 MET C -84.70 -44.70 -68.26 -70.29 -70.64 . . 0 "[ . 1 . 2]"
55 . 1 34 MET N 1 34 MET CA 1 34 MET C 1 35 HIS N -56.30 -16.30 -39.29 -35.33 -37.88 . . 0 "[ . 1 . 2]"
56 . 1 34 MET C 1 35 HIS N 1 35 HIS CA 1 35 HIS C -85.50 -45.50 -69.14 -70.25 -70.83 . . 0 "[ . 1 . 2]"
57 . 1 35 HIS N 1 35 HIS CA 1 35 HIS C 1 36 LEU N -59.70 -19.70 -26.56 -33.87 -19.45 0.25 15 0 "[ . 1 . 2]"
58 . 1 35 HIS C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -88.30 -48.30 -85.73 -88.68 -88.86 0.56 1 0 "[ . 1 . 2]"
59 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 THR N -45.90 -5.90 -30.78 -36.14 -39.08 . . 0 "[ . 1 . 2]"
60 . 1 36 LEU N 1 36 LEU CA 1 36 LEU CB 1 36 LEU CG -90.00 -30.00 -63.17 -67.02 -59.54 . . 0 "[ . 1 . 2]"
61 . 1 36 LEU C 1 37 THR N 1 37 THR CA 1 37 THR C -120.20 -80.20 -85.45 -80.15 -82.52 0.49 3 0 "[ . 1 . 2]"
62 . 1 37 THR N 1 37 THR CA 1 37 THR C 1 38 SER N -20.30 19.70 -18.97 -22.16 -22.79 2.49 1 0 "[ . 1 . 2]"
63 . 1 37 THR N 1 37 THR CA 1 37 THR CB 1 37 THR OG1 30.00 90.00 55.84 56.39 55.18 . . 0 "[ . 1 . 2]"
64 . 1 37 THR C 1 38 SER N 1 38 SER CA 1 38 SER C -87.80 -47.80 -90.02 -90.29 -90.63 4.70 1 0 "[ . 1 . 2]"
65 . 1 38 SER N 1 38 SER CA 1 38 SER C 1 39 PHE N 121.90 161.90 133.22 135.43 127.73 0.79 11 0 "[ . 1 . 2]"
66 . 1 39 PHE N 1 39 PHE CA 1 39 PHE CB 1 39 PHE CG -90.00 -30.00 -69.31 -68.47 -69.77 . . 0 "[ . 1 . 2]"
67 . 1 42 LYS C 1 43 LEU N 1 43 LEU CA 1 43 LEU C -180.00 -20.00 -70.73 -73.52 -75.01 . . 0 "[ . 1 . 2]"
68 . 1 43 LEU N 1 43 LEU CA 1 43 LEU CB 1 43 LEU CG -90.00 -30.00 -56.25 -66.84 -46.97 . . 0 "[ . 1 . 2]"
69 . 1 43 LEU C 1 44 ARG N 1 44 ARG CA 1 44 ARG C -180.00 -20.00 -101.20 -123.35 -55.07 . . 0 "[ . 1 . 2]"
70 . 1 44 ARG C 1 45 MET N 1 45 MET CA 1 45 MET C -180.00 -20.00 -125.50 -161.67 -98.14 . . 0 "[ . 1 . 2]"
71 . 1 45 MET C 1 46 ALA N 1 46 ALA CA 1 46 ALA C -180.00 -20.00 -115.85 -141.08 -72.16 . . 0 "[ . 1 . 2]"
72 . 1 46 ALA C 1 47 VAL N 1 47 VAL CA 1 47 VAL C -180.00 -20.00 -103.36 -122.39 -123.41 . . 0 "[ . 1 . 2]"
73 . 1 47 VAL N 1 47 VAL CA 1 47 VAL CB 1 47 VAL CG1 150.00 -150.00 -177.19 178.01 -172.42 . . 0 "[ . 1 . 2]"
74 . 1 47 VAL C 1 48 GLU N 1 48 GLU CA 1 48 GLU C -180.00 -20.00 -133.63 -131.93 -133.39 . . 0 "[ . 1 . 2]"
75 . 1 48 GLU C 1 49 ASN N 1 49 ASN CA 1 49 ASN C -180.00 -20.00 -128.27 -144.59 -146.62 . . 0 "[ . 1 . 2]"
76 . 1 50 PRO N 1 50 PRO CA 1 50 PRO C 1 51 LYS N -50.20 -10.20 -32.41 -30.36 -34.61 0.62 20 0 "[ . 1 . 2]"
77 . 1 50 PRO C 1 51 LYS N 1 51 LYS CA 1 51 LYS C -90.10 -50.10 -70.57 -80.02 -59.64 . . 0 "[ . 1 . 2]"
78 . 1 51 LYS N 1 51 LYS CA 1 51 LYS C 1 52 GLN N -47.40 -7.40 -15.14 -11.14 -12.11 0.18 20 0 "[ . 1 . 2]"
79 . 1 51 LYS C 1 52 GLN N 1 52 GLN CA 1 52 GLN C -104.10 -53.50 -78.38 -102.87 -65.43 . . 0 "[ . 1 . 2]"
80 . 1 52 GLN N 1 52 GLN CA 1 52 GLN C 1 53 GLN N -56.20 12.60 -21.66 -31.64 -40.47 . . 0 "[ . 1 . 2]"
81 . 1 52 GLN N 1 52 GLN CA 1 52 GLN CB 1 52 GLN CG -90.00 -30.00 -64.71 -74.63 -53.07 . . 0 "[ . 1 . 2]"
82 . 1 52 GLN C 1 53 GLN N 1 53 GLN CA 1 53 GLN C -120.30 -27.50 -86.45 -76.59 -76.96 . . 0 "[ . 1 . 2]"
83 . 1 53 GLN N 1 53 GLN CA 1 53 GLN C 1 54 GLN N -75.10 16.90 5.64 8.54 6.63 . . 0 "[ . 1 . 2]"
84 . 1 53 GLN C 1 54 GLN N 1 54 GLN CA 1 54 GLN C -85.50 -45.50 -56.67 -65.47 -49.47 . . 0 "[ . 1 . 2]"
85 . 1 54 GLN N 1 54 GLN CA 1 54 GLN C 1 55 HIS N -58.90 -18.90 -41.53 -54.05 -28.88 . . 0 "[ . 1 . 2]"
86 . 1 54 GLN C 1 55 HIS N 1 55 HIS CA 1 55 HIS C -84.90 -44.90 -67.73 -74.78 -56.46 . . 0 "[ . 1 . 2]"
87 . 1 55 HIS N 1 55 HIS CA 1 55 HIS C 1 56 LEU N -60.60 -20.60 -23.60 -25.01 -26.46 0.34 19 0 "[ . 1 . 2]"
88 . 1 55 HIS C 1 56 LEU N 1 56 LEU CA 1 56 LEU C -85.90 -45.90 -77.00 -75.31 -77.91 0.31 17 0 "[ . 1 . 2]"
89 . 1 56 LEU N 1 56 LEU CA 1 56 LEU C 1 57 SER N -63.00 -23.00 -44.70 -40.11 -41.60 . . 0 "[ . 1 . 2]"
90 . 1 56 LEU C 1 57 SER N 1 57 SER CA 1 57 SER C -83.60 -43.60 -58.05 -62.93 -55.06 . . 0 "[ . 1 . 2]"
91 . 1 57 SER N 1 57 SER CA 1 57 SER C 1 58 LEU N -59.30 -19.30 -29.98 -36.38 -21.03 . . 0 "[ . 1 . 2]"
92 . 1 57 SER C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -87.70 -47.70 -83.93 -73.41 -78.49 2.49 13 0 "[ . 1 . 2]"
93 . 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 CYS N -57.60 -17.60 -53.01 -57.79 -46.99 0.19 13 0 "[ . 1 . 2]"
94 . 1 58 LEU N 1 58 LEU CA 1 58 LEU CB 1 58 LEU CG -90.00 -30.00 -52.74 -53.78 -55.04 . . 0 "[ . 1 . 2]"
95 . 1 58 LEU C 1 59 CYS N 1 59 CYS CA 1 59 CYS C -88.30 -48.30 -63.06 -64.39 -65.40 . . 0 "[ . 1 . 2]"
96 . 1 59 CYS N 1 59 CYS CA 1 59 CYS C 1 60 CYS N -50.10 -10.10 -49.60 -51.75 -48.03 1.65 17 0 "[ . 1 . 2]"
97 . 1 59 CYS C 1 60 CYS N 1 60 CYS CA 1 60 CYS C -104.00 -46.40 -58.70 -61.71 -52.36 . . 0 "[ . 1 . 2]"
98 . 1 60 CYS N 1 60 CYS CA 1 60 CYS C 1 61 ASN N -61.30 4.50 -35.67 -43.43 -30.80 . . 0 "[ . 1 . 2]"
99 . 1 60 CYS C 1 61 ASN N 1 61 ASN CA 1 61 ASN C -81.80 -41.80 -76.46 -82.05 -70.77 0.25 16 0 "[ . 1 . 2]"
100 . 1 61 ASN N 1 61 ASN CA 1 61 ASN C 1 62 GLN N -64.00 -24.00 -27.10 -23.85 -24.68 0.81 17 0 "[ . 1 . 2]"
101 . 1 61 ASN C 1 62 GLN N 1 62 GLN CA 1 62 GLN C -85.20 -45.20 -80.78 -83.83 -84.90 1.64 16 0 "[ . 1 . 2]"
102 . 1 62 GLN N 1 62 GLN CA 1 62 GLN C 1 63 LEU N -61.10 -21.10 -44.31 -48.92 -36.44 . . 0 "[ . 1 . 2]"
103 . 1 62 GLN C 1 63 LEU N 1 63 LEU CA 1 63 LEU C -87.50 -47.50 -69.22 -68.04 -68.49 . . 0 "[ . 1 . 2]"
104 . 1 63 LEU N 1 63 LEU CA 1 63 LEU C 1 64 GLN N -57.80 -17.80 -32.19 -35.44 -28.29 . . 0 "[ . 1 . 2]"
105 . 1 63 LEU C 1 64 GLN N 1 64 GLN CA 1 64 GLN C -89.90 -49.90 -70.83 -69.59 -70.23 . . 0 "[ . 1 . 2]"
106 . 1 64 GLN N 1 64 GLN CA 1 64 GLN C 1 65 GLU N -40.90 -0.90 -12.13 -23.11 -4.27 . . 0 "[ . 1 . 2]"
107 . 1 64 GLN C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -108.50 -68.50 -80.86 -89.39 -69.93 . . 0 "[ . 1 . 2]"
108 . 1 65 GLU N 1 65 GLU CA 1 65 GLU C 1 66 VAL N -26.60 13.40 -16.50 -11.01 -11.44 . . 0 "[ . 1 . 2]"
109 . 1 65 GLU C 1 66 VAL N 1 66 VAL CA 1 66 VAL C -96.40 -56.40 -81.15 -82.74 -83.46 . . 0 "[ . 1 . 2]"
110 . 1 66 VAL N 1 66 VAL CA 1 66 VAL C 1 67 GLU N 113.30 163.10 162.90 163.95 163.68 1.40 6 0 "[ . 1 . 2]"
111 . 1 66 VAL N 1 66 VAL CA 1 66 VAL CB 1 66 VAL CG1 150.00 -150.00 -169.90 -175.03 -166.64 . . 0 "[ . 1 . 2]"
112 . 1 66 VAL C 1 67 GLU N 1 67 GLU CA 1 67 GLU C -82.50 -42.50 -49.63 -46.79 -47.47 . . 0 "[ . 1 . 2]"
113 . 1 67 GLU N 1 67 GLU CA 1 67 GLU C 1 68 LYS N 115.90 155.90 143.13 136.50 149.40 . . 0 "[ . 1 . 2]"
114 . 1 67 GLU C 1 68 LYS N 1 68 LYS CA 1 68 LYS C -75.30 -35.30 -58.43 -63.19 -50.83 . . 0 "[ . 1 . 2]"
115 . 1 68 LYS N 1 68 LYS CA 1 68 LYS C 1 69 GLN N -56.00 -16.00 -32.69 -33.99 -35.58 . . 0 "[ . 1 . 2]"
116 . 1 68 LYS C 1 69 GLN N 1 69 GLN CA 1 69 GLN C -90.20 -50.20 -80.11 -77.57 -78.96 . . 0 "[ . 1 . 2]"
117 . 1 69 GLN N 1 69 GLN CA 1 69 GLN C 1 70 CYS N -37.40 2.60 -16.82 -20.46 -20.81 . . 0 "[ . 1 . 2]"
118 . 1 69 GLN C 1 70 CYS N 1 70 CYS CA 1 70 CYS C -128.20 -88.20 -105.50 -125.61 -94.27 . . 0 "[ . 1 . 2]"
119 . 1 70 CYS N 1 70 CYS CA 1 70 CYS C 1 71 GLN N -23.30 16.70 -10.11 -13.63 -6.27 . . 0 "[ . 1 . 2]"
120 . 1 70 CYS C 1 71 GLN N 1 71 GLN CA 1 71 GLN C -78.20 -38.20 -59.46 -62.95 -56.28 . . 0 "[ . 1 . 2]"
121 . 1 71 GLN N 1 71 GLN CA 1 71 GLN C 1 72 CYS N -66.70 -26.70 -42.83 -42.62 -43.12 . . 0 "[ . 1 . 2]"
122 . 1 71 GLN C 1 72 CYS N 1 72 CYS CA 1 72 CYS C -83.40 -43.40 -79.26 -80.31 -80.87 0.53 14 0 "[ . 1 . 2]"
123 . 1 72 CYS N 1 72 CYS CA 1 72 CYS C 1 73 GLU N -64.50 -24.50 -24.14 -27.24 -23.12 1.38 8 0 "[ . 1 . 2]"
124 . 1 72 CYS C 1 73 GLU N 1 73 GLU CA 1 73 GLU C -85.80 -45.80 -69.20 -73.98 -64.92 . . 0 "[ . 1 . 2]"
125 . 1 73 GLU N 1 73 GLU CA 1 73 GLU C 1 74 ALA N -59.40 -19.40 -32.89 -32.54 -32.97 . . 0 "[ . 1 . 2]"
126 . 1 73 GLU C 1 74 ALA N 1 74 ALA CA 1 74 ALA C -84.00 -44.00 -60.92 -64.24 -58.05 . . 0 "[ . 1 . 2]"
127 . 1 74 ALA N 1 74 ALA CA 1 74 ALA C 1 75 ILE N -62.30 -22.30 -28.77 -30.75 -31.29 . . 0 "[ . 1 . 2]"
128 . 1 74 ALA C 1 75 ILE N 1 75 ILE CA 1 75 ILE C -83.30 -43.30 -70.64 -70.22 -70.98 . . 0 "[ . 1 . 2]"
129 . 1 75 ILE N 1 75 ILE CA 1 75 ILE C 1 76 LYS N -63.40 -23.40 -31.80 -37.51 -24.61 . . 0 "[ . 1 . 2]"
130 . 1 75 ILE N 1 75 ILE CA 1 75 ILE CB 1 75 ILE CG1 -90.00 -30.00 -51.05 -55.64 -45.28 . . 0 "[ . 1 . 2]"
131 . 1 75 ILE C 1 76 LYS N 1 76 LYS CA 1 76 LYS C -83.10 -43.10 -70.15 -66.46 -67.88 . . 0 "[ . 1 . 2]"
132 . 1 76 LYS N 1 76 LYS CA 1 76 LYS C 1 77 GLN N -62.00 -22.00 -41.37 -44.73 -38.87 . . 0 "[ . 1 . 2]"
133 . 1 76 LYS C 1 77 GLN N 1 77 GLN CA 1 77 GLN C -84.80 -44.80 -59.63 -65.49 -56.12 . . 0 "[ . 1 . 2]"
134 . 1 77 GLN N 1 77 GLN CA 1 77 GLN C 1 78 VAL N -60.70 -20.70 -41.66 -47.95 -33.13 . . 0 "[ . 1 . 2]"
135 . 1 77 GLN C 1 78 VAL N 1 78 VAL CA 1 78 VAL C -84.50 -44.50 -57.26 -59.41 -60.39 . . 0 "[ . 1 . 2]"
136 . 1 78 VAL N 1 78 VAL CA 1 78 VAL C 1 79 VAL N -63.90 -23.90 -46.09 -47.56 -47.90 . . 0 "[ . 1 . 2]"
137 . 1 78 VAL N 1 78 VAL CA 1 78 VAL CB 1 78 VAL CG1 150.00 -150.00 -172.55 -175.99 -168.49 . . 0 "[ . 1 . 2]"
138 . 1 78 VAL C 1 79 VAL N 1 79 VAL CA 1 79 VAL C -82.90 -42.90 -66.21 -70.12 -61.60 . . 0 "[ . 1 . 2]"
139 . 1 79 VAL N 1 79 VAL CA 1 79 VAL C 1 80 GLU N -63.50 -23.50 -46.45 -47.87 -48.55 . . 0 "[ . 1 . 2]"
140 . 1 79 VAL N 1 79 VAL CA 1 79 VAL CB 1 79 VAL CG1 150.00 -150.00 -174.21 -175.55 -175.69 . . 0 "[ . 1 . 2]"
141 . 1 79 VAL C 1 80 GLU N 1 80 GLU CA 1 80 GLU C -84.30 -44.30 -58.27 -60.83 -61.75 . . 0 "[ . 1 . 2]"
142 . 1 80 GLU N 1 80 GLU CA 1 80 GLU C 1 81 GLN N -61.30 -21.30 -49.25 -59.46 -35.25 . . 0 "[ . 1 . 2]"
143 . 1 80 GLU C 1 81 GLN N 1 81 GLN CA 1 81 GLN C -85.80 -45.80 -74.88 -75.06 -76.26 . . 0 "[ . 1 . 2]"
144 . 1 81 GLN N 1 81 GLN CA 1 81 GLN C 1 82 ALA N -61.40 -21.40 -31.94 -37.27 -26.35 . . 0 "[ . 1 . 2]"
145 . 1 81 GLN C 1 82 ALA N 1 82 ALA CA 1 82 ALA C -83.80 -43.80 -73.54 -73.20 -74.30 . . 0 "[ . 1 . 2]"
146 . 1 82 ALA N 1 82 ALA CA 1 82 ALA C 1 83 GLN N -61.50 -21.50 -38.17 -40.00 -40.45 . . 0 "[ . 1 . 2]"
147 . 1 82 ALA C 1 83 GLN N 1 83 GLN CA 1 83 GLN C -82.70 -42.70 -74.28 -80.33 -69.21 . . 0 "[ . 1 . 2]"
148 . 1 83 GLN N 1 83 GLN CA 1 83 GLN C 1 84 LYS N -62.70 -22.70 -36.30 -34.75 -35.46 . . 0 "[ . 1 . 2]"
149 . 1 83 GLN C 1 84 LYS N 1 84 LYS CA 1 84 LYS C -86.30 -46.30 -70.86 -75.95 -65.04 . . 0 "[ . 1 . 2]"
150 . 1 84 LYS N 1 84 LYS CA 1 84 LYS C 1 85 GLN N -60.40 -20.40 -32.63 -33.50 -35.87 . . 0 "[ . 1 . 2]"
151 . 1 84 LYS C 1 85 GLN N 1 85 GLN CA 1 85 GLN C -86.60 -46.60 -71.80 -71.35 -71.83 . . 0 "[ . 1 . 2]"
152 . 1 85 GLN N 1 85 GLN CA 1 85 GLN C 1 86 LEU N -60.10 -20.10 -31.55 -33.60 -34.12 . . 0 "[ . 1 . 2]"
153 . 1 85 GLN C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -86.10 -46.10 -83.41 -87.80 -74.91 1.70 4 0 "[ . 1 . 2]"
154 . 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 GLN N -57.30 -17.30 -35.91 -44.03 -29.21 . . 0 "[ . 1 . 2]"
155 . 1 86 LEU C 1 87 GLN N 1 87 GLN CA 1 87 GLN C -90.60 -50.60 -61.76 -60.91 -63.15 . . 0 "[ . 1 . 2]"
156 . 1 87 GLN N 1 87 GLN CA 1 87 GLN C 1 88 GLN N -43.20 -3.20 -36.66 -43.59 -22.48 0.39 5 0 "[ . 1 . 2]"
157 . 1 87 GLN C 1 88 GLN N 1 88 GLN CA 1 88 GLN C -106.50 -66.50 -80.80 -90.98 -66.50 0.00 4 0 "[ . 1 . 2]"
158 . 1 88 GLN N 1 88 GLN CA 1 88 GLN C 1 89 GLY N -27.70 12.70 -7.35 -14.42 -17.46 . . 0 "[ . 1 . 2]"
159 . 1 92 GLY C 1 93 GLN N 1 93 GLN CA 1 93 GLN C -83.30 -43.30 -49.52 -58.61 -44.37 . . 0 "[ . 1 . 2]"
160 . 1 93 GLN N 1 93 GLN CA 1 93 GLN C 1 94 GLN N -61.20 -21.20 -32.12 -31.52 -32.66 0.14 17 0 "[ . 1 . 2]"
161 . 1 93 GLN C 1 94 GLN N 1 94 GLN CA 1 94 GLN C -85.00 -45.00 -75.56 -68.91 -71.41 . . 0 "[ . 1 . 2]"
162 . 1 94 GLN N 1 94 GLN CA 1 94 GLN C 1 95 GLN N -60.20 -20.20 -39.54 -46.56 -33.24 . . 0 "[ . 1 . 2]"
163 . 1 94 GLN C 1 95 GLN N 1 95 GLN CA 1 95 GLN C -85.30 -45.30 -83.32 -86.51 -77.45 1.21 2 0 "[ . 1 . 2]"
164 . 1 95 GLN N 1 95 GLN CA 1 95 GLN C 1 96 VAL N -60.60 -20.60 -43.99 -43.00 -43.52 . . 0 "[ . 1 . 2]"
165 . 1 95 GLN C 1 96 VAL N 1 96 VAL CA 1 96 VAL C -84.30 -44.30 -62.48 -69.71 -57.66 . . 0 "[ . 1 . 2]"
166 . 1 96 VAL N 1 96 VAL CA 1 96 VAL C 1 97 GLN N -63.50 -23.50 -23.03 -24.57 -22.52 0.98 17 0 "[ . 1 . 2]"
167 . 1 96 VAL N 1 96 VAL CA 1 96 VAL CB 1 96 VAL CG1 150.00 -150.00 175.00 177.77 176.01 . . 0 "[ . 1 . 2]"
168 . 1 96 VAL C 1 97 GLN N 1 97 GLN CA 1 97 GLN C -82.80 -42.80 -47.72 -54.57 -42.58 0.22 20 0 "[ . 1 . 2]"
169 . 1 97 GLN N 1 97 GLN CA 1 97 GLN C 1 98 GLN N -62.00 -22.00 -44.33 -45.12 -45.39 . . 0 "[ . 1 . 2]"
170 . 1 97 GLN C 1 98 GLN N 1 98 GLN CA 1 98 GLN C -84.10 -44.10 -66.38 -61.30 -63.55 . . 0 "[ . 1 . 2]"
171 . 1 98 GLN N 1 98 GLN CA 1 98 GLN C 1 99 MET N -58.80 -18.80 -19.15 -28.13 -16.92 1.88 4 0 "[ . 1 . 2]"
172 . 1 99 MET N 1 99 MET CA 1 99 MET C 1 100 VAL N -63.50 -23.50 -47.09 -45.92 -46.69 . . 0 "[ . 1 . 2]"
173 . 1 99 MET C 1 100 VAL N 1 100 VAL CA 1 100 VAL C -82.40 -42.40 -63.73 -67.26 -59.95 . . 0 "[ . 1 . 2]"
174 . 1 100 VAL N 1 100 VAL CA 1 100 VAL C 1 101 LYS N -64.30 -24.30 -25.26 -25.02 -25.85 0.59 11 0 "[ . 1 . 2]"
175 . 1 100 VAL C 1 101 LYS N 1 101 LYS CA 1 101 LYS C -83.50 -43.50 -62.74 -65.97 -58.70 . . 0 "[ . 1 . 2]"
176 . 1 101 LYS N 1 101 LYS CA 1 101 LYS C 1 102 LYS N -60.30 -20.30 -23.68 -26.96 -20.17 0.13 5 0 "[ . 1 . 2]"
177 . 1 101 LYS C 1 102 LYS N 1 102 LYS CA 1 102 LYS C -85.90 -45.90 -65.34 -63.55 -64.46 . . 0 "[ . 1 . 2]"
178 . 1 102 LYS N 1 102 LYS CA 1 102 LYS C 1 103 ALA N -60.90 -20.90 -28.84 -38.03 -23.59 . . 0 "[ . 1 . 2]"
179 . 1 102 LYS C 1 103 ALA N 1 103 ALA CA 1 103 ALA C -84.30 -44.30 -62.24 -64.25 -65.95 . . 0 "[ . 1 . 2]"
180 . 1 103 ALA N 1 103 ALA CA 1 103 ALA C 1 104 GLN N -61.10 -21.10 -32.66 -43.49 -24.41 . . 0 "[ . 1 . 2]"
181 . 1 103 ALA C 1 104 GLN N 1 104 GLN CA 1 104 GLN C -84.50 -44.50 -71.75 -76.82 -68.01 . . 0 "[ . 1 . 2]"
182 . 1 104 GLN N 1 104 GLN CA 1 104 GLN C 1 105 MET N -57.20 -17.20 -18.59 -20.91 -24.52 1.74 7 0 "[ . 1 . 2]"
183 . 1 104 GLN N 1 104 GLN CA 1 104 GLN CB 1 104 GLN CG -90.00 -30.00 -55.20 -60.22 -49.31 . . 0 "[ . 1 . 2]"
184 . 1 104 GLN C 1 105 MET N 1 105 MET CA 1 105 MET C -91.50 -51.50 -91.03 -92.15 -92.30 1.17 17 0 "[ . 1 . 2]"
185 . 1 105 MET N 1 105 MET CA 1 105 MET C 1 106 LEU N -55.20 -15.20 -16.22 -21.20 -13.02 2.18 1 0 "[ . 1 . 2]"
186 . 1 105 MET N 1 105 MET CA 1 105 MET CB 1 105 MET CG -90.00 -30.00 -49.59 -50.49 -51.62 . . 0 "[ . 1 . 2]"
187 . 1 105 MET C 1 106 LEU N 1 106 LEU CA 1 106 LEU C -82.50 -42.50 -52.04 -52.37 -52.68 . . 0 "[ . 1 . 2]"
188 . 1 106 LEU N 1 106 LEU CA 1 106 LEU C 1 107 PRO N -63.00 -23.00 -47.37 -45.93 -46.52 . . 0 "[ . 1 . 2]"
189 . 1 107 PRO N 1 107 PRO CA 1 107 PRO C 1 108 ASN N -62.40 -22.40 -24.42 -25.01 -26.09 0.17 19 0 "[ . 1 . 2]"
190 . 1 107 PRO C 1 108 ASN N 1 108 ASN CA 1 108 ASN C -89.10 -49.10 -84.80 -89.45 -77.26 0.35 2 0 "[ . 1 . 2]"
191 . 1 108 ASN N 1 108 ASN CA 1 108 ASN C 1 109 GLN N -59.50 -19.50 -42.83 -45.82 -46.98 . . 0 "[ . 1 . 2]"
192 . 1 108 ASN N 1 108 ASN CA 1 108 ASN CB 1 108 ASN CG -90.00 -30.00 -64.92 -91.61 -53.39 1.61 15 0 "[ . 1 . 2]"
193 . 1 108 ASN C 1 109 GLN N 1 109 GLN CA 1 109 GLN C -83.50 -43.50 -73.85 -84.33 -64.64 0.83 20 0 "[ . 1 . 2]"
194 . 1 109 GLN N 1 109 GLN CA 1 109 GLN C 1 110 CYS N -56.90 -16.90 -39.25 -43.39 -47.41 . . 0 "[ . 1 . 2]"
195 . 1 109 GLN N 1 109 GLN CA 1 109 GLN CB 1 109 GLN CG -90.00 -30.00 -60.96 -61.79 -63.06 . . 0 "[ . 1 . 2]"
196 . 1 109 GLN C 1 110 CYS N 1 110 CYS CA 1 110 CYS C -119.90 -79.90 -87.11 -98.80 -80.77 . . 0 "[ . 1 . 2]"
197 . 1 110 CYS N 1 110 CYS CA 1 110 CYS C 1 111 ASN N -12.60 27.40 -3.39 -7.49 2.05 . . 0 "[ . 1 . 2]"
198 . 1 110 CYS C 1 111 ASN N 1 111 ASN CA 1 111 ASN C 33.90 73.90 59.40 53.34 66.46 . . 0 "[ . 1 . 2]"
199 . 1 111 ASN N 1 111 ASN CA 1 111 ASN C 1 112 LEU N 26.10 66.10 59.55 64.33 64.23 . . 0 "[ . 1 . 2]"
200 . 1 111 ASN C 1 112 LEU N 1 112 LEU CA 1 112 LEU C -119.00 -73.20 -95.42 -96.87 -98.59 . . 0 "[ . 1 . 2]"
201 . 1 112 LEU N 1 112 LEU CA 1 112 LEU C 1 113 GLN N 109.70 157.30 158.76 159.24 158.95 2.86 5 0 "[ . 1 . 2]"
202 . 1 112 LEU N 1 112 LEU CA 1 112 LEU CB 1 112 LEU CG -90.00 -30.00 -52.80 -57.26 -48.63 . . 0 "[ . 1 . 2]"
203 . 1 113 GLN N 1 113 GLN CA 1 113 GLN CB 1 113 GLN CG -90.00 -30.00 -52.63 -54.12 -55.23 . . 0 "[ . 1 . 2]"
204 . 1 113 GLN C 1 114 CYS N 1 114 CYS CA 1 114 CYS C -173.50 -133.50 -157.08 -159.16 -160.47 . . 0 "[ . 1 . 2]"
205 . 1 114 CYS N 1 114 CYS CA 1 114 CYS C 1 115 SER N 143.80 -176.20 156.17 154.58 152.14 0.03 5 0 "[ . 1 . 2]"
206 . 1 114 CYS C 1 115 SER N 1 115 SER CA 1 115 SER C -150.40 -88.60 -144.17 -149.74 -150.32 0.93 1 0 "[ . 1 . 2]"
207 . 1 115 SER N 1 115 SER CA 1 115 SER C 1 116 ILE N 114.50 166.70 132.28 130.41 123.74 . . 0 "[ . 1 . 2]"
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