NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
653131 |
6l7k   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6l7k
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 223
_TA_constraint_stats_list.Viol_count 1053
_TA_constraint_stats_list.Viol_total 25554.06
_TA_constraint_stats_list.Viol_max 4.77
_TA_constraint_stats_list.Viol_rms 0.76
_TA_constraint_stats_list.Viol_average_all_restraints 0.29
_TA_constraint_stats_list.Viol_average_violations_only 1.21
_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 SER C 1 5 THR N 1 5 THR CA 1 5 THR C -144.00 -44.00 -96.87 -98.03 -102.13 . . 0 "[ . 1 . 2]"
2 . 1 5 THR N 1 5 THR CA 1 5 THR C 1 6 TRP N 110.00 150.00 141.51 147.08 146.74 0.41 8 0 "[ . 1 . 2]"
3 . 1 5 THR C 1 6 TRP N 1 6 TRP CA 1 6 TRP C -151.30 -92.90 -147.70 -151.09 -151.30 0.49 18 0 "[ . 1 . 2]"
4 . 1 6 TRP N 1 6 TRP CA 1 6 TRP C 1 7 LYS N 122.20 167.20 168.17 158.04 170.62 3.42 20 0 "[ . 1 . 2]"
5 . 1 6 TRP C 1 7 LYS N 1 7 LYS CA 1 7 LYS C -152.10 -98.50 -152.09 -151.51 -151.90 2.14 18 0 "[ . 1 . 2]"
6 . 1 7 LYS N 1 7 LYS CA 1 7 LYS C 1 8 VAL N 111.00 157.80 132.86 128.53 128.41 . . 0 "[ . 1 . 2]"
7 . 1 7 LYS C 1 8 VAL N 1 8 VAL CA 1 8 VAL C -104.90 -34.30 -39.83 -45.28 -33.52 0.78 7 0 "[ . 1 . 2]"
8 . 1 8 VAL N 1 8 VAL CA 1 8 VAL C 1 9 ASP N 107.80 147.80 106.81 106.33 107.53 1.47 11 0 "[ . 1 . 2]"
9 . 1 8 VAL C 1 9 ASP N 1 9 ASP CA 1 9 ASP C -128.90 -77.50 -95.72 -96.06 -96.76 . . 0 "[ . 1 . 2]"
10 . 1 9 ASP N 1 9 ASP CA 1 9 ASP C 1 10 ARG N -71.50 -11.50 -29.83 -32.42 -25.93 . . 0 "[ . 1 . 2]"
11 . 1 9 ASP C 1 10 ARG N 1 10 ARG CA 1 10 ARG C 153.20 -106.80 -147.81 -154.62 -140.55 . . 0 "[ . 1 . 2]"
12 . 1 10 ARG N 1 10 ARG CA 1 10 ARG C 1 11 SER N 144.50 -175.50 168.77 162.63 160.00 . . 0 "[ . 1 . 2]"
13 . 1 10 ARG C 1 11 SER N 1 11 SER CA 1 11 SER C 175.40 -85.60 -172.55 -173.26 -175.27 . . 0 "[ . 1 . 2]"
14 . 1 11 SER N 1 11 SER CA 1 11 SER C 1 12 GLU N 112.50 177.90 175.41 177.38 169.79 0.44 15 0 "[ . 1 . 2]"
15 . 1 11 SER C 1 12 GLU N 1 12 GLU CA 1 12 GLU C -166.40 -105.20 -157.28 -157.25 -166.65 0.38 1 0 "[ . 1 . 2]"
16 . 1 12 GLU N 1 12 GLU CA 1 12 GLU C 1 13 ASN N 125.90 165.90 157.51 149.23 166.68 0.78 14 0 "[ . 1 . 2]"
17 . 1 14 TYR N 1 14 TYR CA 1 14 TYR C 1 15 ASP N -60.80 -18.00 -52.06 -61.23 -22.44 0.43 12 0 "[ . 1 . 2]"
18 . 1 14 TYR C 1 15 ASP N 1 15 ASP CA 1 15 ASP C -83.20 -41.60 -58.99 -63.86 -71.99 . . 0 "[ . 1 . 2]"
19 . 1 15 ASP N 1 15 ASP CA 1 15 ASP C 1 16 LYS N -59.20 -19.20 -47.27 -42.59 -43.61 . . 0 "[ . 1 . 2]"
20 . 1 15 ASP C 1 16 LYS N 1 16 LYS CA 1 16 LYS C -86.80 -46.80 -61.85 -70.31 -52.42 . . 0 "[ . 1 . 2]"
21 . 1 16 LYS N 1 16 LYS CA 1 16 LYS C 1 17 PHE N -57.40 -17.40 -34.60 -31.00 -31.56 . . 0 "[ . 1 . 2]"
22 . 1 16 LYS C 1 17 PHE N 1 17 PHE CA 1 17 PHE C -84.30 -44.30 -70.78 -74.18 -67.39 . . 0 "[ . 1 . 2]"
23 . 1 17 PHE N 1 17 PHE CA 1 17 PHE C 1 18 MET N -63.50 -23.50 -61.61 -57.07 -60.29 0.58 6 0 "[ . 1 . 2]"
24 . 1 17 PHE C 1 18 MET N 1 18 MET CA 1 18 MET C -83.00 -43.00 -56.25 -60.33 -49.59 . . 0 "[ . 1 . 2]"
25 . 1 18 MET N 1 18 MET CA 1 18 MET C 1 19 GLU N -59.20 -19.20 -25.81 -33.94 -20.82 . . 0 "[ . 1 . 2]"
26 . 1 18 MET C 1 19 GLU N 1 19 GLU CA 1 19 GLU C -82.50 -42.50 -77.45 -70.42 -73.42 0.16 3 0 "[ . 1 . 2]"
27 . 1 19 GLU N 1 19 GLU CA 1 19 GLU C 1 20 LYS N -63.10 -23.10 -31.81 -38.13 -23.05 0.05 3 0 "[ . 1 . 2]"
28 . 1 19 GLU C 1 20 LYS N 1 20 LYS CA 1 20 LYS C -84.00 -44.00 -68.98 -71.54 -72.71 . . 0 "[ . 1 . 2]"
29 . 1 20 LYS N 1 20 LYS CA 1 20 LYS C 1 21 MET N -49.10 -9.10 -42.00 -43.19 -43.80 . . 0 "[ . 1 . 2]"
30 . 1 20 LYS C 1 21 MET N 1 21 MET CA 1 21 MET C -133.30 -46.30 -65.98 -72.64 -58.76 . . 0 "[ . 1 . 2]"
31 . 1 21 MET N 1 21 MET CA 1 21 MET C 1 22 GLY N -21.80 22.80 -8.19 -10.22 -11.33 . . 0 "[ . 1 . 2]"
32 . 1 21 MET C 1 22 GLY N 1 22 GLY CA 1 22 GLY C 60.40 114.00 78.72 89.61 84.91 . . 0 "[ . 1 . 2]"
33 . 1 22 GLY N 1 22 GLY CA 1 22 GLY C 1 23 VAL N -7.60 32.40 30.14 31.13 29.93 0.20 2 0 "[ . 1 . 2]"
34 . 1 22 GLY C 1 23 VAL N 1 23 VAL CA 1 23 VAL C -111.40 -37.20 -75.96 -94.05 -66.34 . . 0 "[ . 1 . 2]"
35 . 1 23 VAL N 1 23 VAL CA 1 23 VAL C 1 24 ASN N 103.80 162.00 133.80 116.93 158.42 . . 0 "[ . 1 . 2]"
36 . 1 23 VAL C 1 24 ASN N 1 24 ASN CA 1 24 ASN C -139.50 -39.50 -47.13 -75.00 -41.76 . . 0 "[ . 1 . 2]"
37 . 1 24 ASN N 1 24 ASN CA 1 24 ASN C 1 25 ILE N 106.30 -171.50 166.70 155.70 177.44 . . 0 "[ . 1 . 2]"
38 . 1 24 ASN C 1 25 ILE N 1 25 ILE CA 1 25 ILE C -85.50 -35.10 -81.13 -85.62 -67.48 0.12 12 0 "[ . 1 . 2]"
39 . 1 25 ILE N 1 25 ILE CA 1 25 ILE C 1 26 VAL N -60.70 -1.30 -2.04 -1.55 -1.85 0.09 11 0 "[ . 1 . 2]"
40 . 1 25 ILE C 1 26 VAL N 1 26 VAL CA 1 26 VAL C -96.70 -37.50 -80.87 -80.26 -80.84 . . 0 "[ . 1 . 2]"
41 . 1 26 VAL N 1 26 VAL CA 1 26 VAL C 1 27 LYS N -59.60 -19.60 -59.97 -59.85 -59.87 0.51 9 0 "[ . 1 . 2]"
42 . 1 26 VAL C 1 27 LYS N 1 27 LYS CA 1 27 LYS C -84.90 -44.90 -62.25 -57.34 -59.24 . . 0 "[ . 1 . 2]"
43 . 1 27 LYS N 1 27 LYS CA 1 27 LYS C 1 28 ARG N -56.80 -16.80 -29.45 -42.45 -20.14 . . 0 "[ . 1 . 2]"
44 . 1 27 LYS C 1 28 ARG N 1 28 ARG CA 1 28 ARG C -84.10 -44.10 -69.33 -70.64 -71.62 . . 0 "[ . 1 . 2]"
45 . 1 28 ARG N 1 28 ARG CA 1 28 ARG C 1 29 LYS N -58.90 -18.90 -45.31 -52.70 -30.69 . . 0 "[ . 1 . 2]"
46 . 1 28 ARG C 1 29 LYS N 1 29 LYS CA 1 29 LYS C -82.50 -42.50 -63.09 -57.40 -60.89 . . 0 "[ . 1 . 2]"
47 . 1 29 LYS N 1 29 LYS CA 1 29 LYS C 1 30 LEU N -64.90 -24.90 -35.88 -47.55 -32.72 . . 0 "[ . 1 . 2]"
48 . 1 29 LYS C 1 30 LEU N 1 30 LEU CA 1 30 LEU C -86.20 -46.20 -86.52 -86.51 -86.52 0.51 10 0 "[ . 1 . 2]"
49 . 1 30 LEU N 1 30 LEU CA 1 30 LEU C 1 31 ALA N -64.50 -15.50 -13.19 -13.70 -12.90 2.60 17 0 "[ . 1 . 2]"
50 . 1 30 LEU C 1 31 ALA N 1 31 ALA CA 1 31 ALA C -85.70 -45.50 -77.48 -86.44 -51.73 0.74 9 0 "[ . 1 . 2]"
51 . 1 31 ALA N 1 31 ALA CA 1 31 ALA C 1 32 ALA N -52.80 -12.80 -45.33 -51.03 -52.62 0.21 6 0 "[ . 1 . 2]"
52 . 1 31 ALA C 1 32 ALA N 1 32 ALA CA 1 32 ALA C -113.90 -26.30 -45.50 -70.94 -38.64 . . 0 "[ . 1 . 2]"
53 . 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1 33 HIS N -64.60 -1.80 -29.58 -64.96 -1.70 0.36 16 0 "[ . 1 . 2]"
54 . 1 32 ALA C 1 33 HIS N 1 33 HIS CA 1 33 HIS C -151.00 -51.00 -78.58 -140.10 -68.82 . . 0 "[ . 1 . 2]"
55 . 1 33 HIS N 1 33 HIS CA 1 33 HIS C 1 34 ASP N -46.00 46.00 41.82 33.97 46.59 0.59 15 0 "[ . 1 . 2]"
56 . 1 34 ASP C 1 35 ASN N 1 35 ASN CA 1 35 ASN C -147.10 -47.10 -134.22 -86.94 -123.78 1.26 5 0 "[ . 1 . 2]"
57 . 1 35 ASN N 1 35 ASN CA 1 35 ASN C 1 36 LEU N -36.70 42.50 43.03 43.55 43.22 1.20 7 0 "[ . 1 . 2]"
58 . 1 36 LEU C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -156.60 -67.00 -111.80 -106.57 -107.64 . . 0 "[ . 1 . 2]"
59 . 1 37 LYS N 1 37 LYS CA 1 37 LYS C 1 38 LEU N 102.00 161.00 145.93 135.19 152.54 . . 0 "[ . 1 . 2]"
60 . 1 37 LYS C 1 38 LEU N 1 38 LEU CA 1 38 LEU C -154.40 -95.40 -141.78 -139.83 -142.81 0.10 15 0 "[ . 1 . 2]"
61 . 1 38 LEU N 1 38 LEU CA 1 38 LEU C 1 39 THR N 109.40 153.00 132.12 120.00 153.04 0.04 16 0 "[ . 1 . 2]"
62 . 1 38 LEU C 1 39 THR N 1 39 THR CA 1 39 THR C -147.70 -74.70 -103.47 -101.91 -102.60 . . 0 "[ . 1 . 2]"
63 . 1 39 THR N 1 39 THR CA 1 39 THR C 1 40 ILE N 105.00 145.00 114.36 104.15 143.32 0.85 20 0 "[ . 1 . 2]"
64 . 1 39 THR C 1 40 ILE N 1 40 ILE CA 1 40 ILE C -164.50 -68.10 -105.50 -105.65 -107.78 . . 0 "[ . 1 . 2]"
65 . 1 40 ILE N 1 40 ILE CA 1 40 ILE C 1 41 THR N 112.60 152.60 127.70 117.84 144.04 . . 0 "[ . 1 . 2]"
66 . 1 40 ILE C 1 41 THR N 1 41 THR CA 1 41 THR C -163.70 -63.70 -125.81 -132.71 -133.76 . . 0 "[ . 1 . 2]"
67 . 1 41 THR N 1 41 THR CA 1 41 THR C 1 42 GLN N 102.40 151.60 152.00 151.62 152.48 0.88 3 0 "[ . 1 . 2]"
68 . 1 41 THR C 1 42 GLN N 1 42 GLN CA 1 42 GLN C -154.40 -54.40 -131.51 -133.37 -135.35 . . 0 "[ . 1 . 2]"
69 . 1 42 GLN N 1 42 GLN CA 1 42 GLN C 1 43 GLU N 99.60 148.80 144.63 145.08 143.27 0.42 3 0 "[ . 1 . 2]"
70 . 1 42 GLN C 1 43 GLU N 1 43 GLU CA 1 43 GLU C -171.90 -71.90 -142.19 -149.60 -129.37 . . 0 "[ . 1 . 2]"
71 . 1 43 GLU N 1 43 GLU CA 1 43 GLU C 1 44 GLY N 79.70 131.30 79.07 79.18 79.09 0.88 16 0 "[ . 1 . 2]"
72 . 1 44 GLY C 1 45 ASN N 1 45 ASN CA 1 45 ASN C -131.00 -58.60 -121.86 -127.38 -113.66 . . 0 "[ . 1 . 2]"
73 . 1 45 ASN N 1 45 ASN CA 1 45 ASN C 1 46 LYS N -35.30 25.50 28.79 28.28 29.32 3.82 18 0 "[ . 1 . 2]"
74 . 1 45 ASN C 1 46 LYS N 1 46 LYS CA 1 46 LYS C -156.70 -56.70 -147.99 -154.47 -140.67 . . 0 "[ . 1 . 2]"
75 . 1 46 LYS N 1 46 LYS CA 1 46 LYS C 1 47 PHE N 113.80 153.80 110.29 109.60 111.82 4.20 14 0 "[ . 1 . 2]"
76 . 1 46 LYS C 1 47 PHE N 1 47 PHE CA 1 47 PHE C -173.20 -73.20 -99.44 -101.41 -103.06 . . 0 "[ . 1 . 2]"
77 . 1 47 PHE N 1 47 PHE CA 1 47 PHE C 1 48 THR N 114.50 173.10 171.05 171.02 168.52 1.30 2 0 "[ . 1 . 2]"
78 . 1 47 PHE C 1 48 THR N 1 48 THR CA 1 48 THR C -155.80 -55.80 -152.95 -152.27 -153.38 0.37 10 0 "[ . 1 . 2]"
79 . 1 48 THR N 1 48 THR CA 1 48 THR C 1 49 VAL N 106.00 148.20 103.47 103.61 103.54 3.01 1 0 "[ . 1 . 2]"
80 . 1 48 THR C 1 49 VAL N 1 49 VAL CA 1 49 VAL C -140.50 -84.70 -99.55 -101.94 -104.41 . . 0 "[ . 1 . 2]"
81 . 1 49 VAL N 1 49 VAL CA 1 49 VAL C 1 50 LYS N 101.60 148.80 117.02 108.49 141.36 . . 0 "[ . 1 . 2]"
82 . 1 49 VAL C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -165.30 -65.30 -106.14 -112.54 -119.11 . . 0 "[ . 1 . 2]"
83 . 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 GLU N 100.70 157.70 100.29 100.20 100.17 1.05 16 0 "[ . 1 . 2]"
84 . 1 50 LYS C 1 51 GLU N 1 51 GLU CA 1 51 GLU C -169.30 -69.30 -74.12 -82.87 -69.08 0.22 4 0 "[ . 1 . 2]"
85 . 1 51 GLU N 1 51 GLU CA 1 51 GLU C 1 52 SER N 101.50 167.50 157.18 152.82 160.45 . . 0 "[ . 1 . 2]"
86 . 1 51 GLU C 1 52 SER N 1 52 SER CA 1 52 SER C -168.40 -68.40 -159.37 -153.38 -156.56 . . 0 "[ . 1 . 2]"
87 . 1 52 SER N 1 52 SER CA 1 52 SER C 1 53 SER N 110.40 161.00 106.96 105.95 107.50 4.45 2 0 "[ . 1 . 2]"
88 . 1 52 SER C 1 53 SER N 1 53 SER CA 1 53 SER C -150.50 -50.50 -133.60 -143.25 -118.67 . . 0 "[ . 1 . 2]"
89 . 1 53 SER N 1 53 SER CA 1 53 SER C 1 54 ALA N 144.90 -163.70 146.76 144.36 144.31 0.65 19 0 "[ . 1 . 2]"
90 . 1 53 SER C 1 54 ALA N 1 54 ALA CA 1 54 ALA C -110.40 -26.00 -59.50 -57.32 -57.64 . . 0 "[ . 1 . 2]"
91 . 1 54 ALA N 1 54 ALA CA 1 54 ALA C 1 55 PHE N -50.90 6.90 7.85 7.40 8.73 1.83 18 0 "[ . 1 . 2]"
92 . 1 54 ALA C 1 55 PHE N 1 55 PHE CA 1 55 PHE C -129.70 -41.90 -112.82 -109.79 -112.29 . . 0 "[ . 1 . 2]"
93 . 1 55 PHE N 1 55 PHE CA 1 55 PHE C 1 56 ARG N -47.10 11.90 -21.89 -31.18 -11.74 . . 0 "[ . 1 . 2]"
94 . 1 56 ARG C 1 57 ASN N 1 57 ASN CA 1 57 ASN C -164.40 -64.40 -62.76 -62.32 -62.35 2.28 4 0 "[ . 1 . 2]"
95 . 1 57 ASN N 1 57 ASN CA 1 57 ASN C 1 58 ILE N 94.30 172.70 145.66 139.81 149.45 . . 0 "[ . 1 . 2]"
96 . 1 57 ASN C 1 58 ILE N 1 58 ILE CA 1 58 ILE C -161.20 -105.60 -137.18 -132.26 -133.76 . . 0 "[ . 1 . 2]"
97 . 1 58 ILE N 1 58 ILE CA 1 58 ILE C 1 59 GLU N 112.10 170.10 174.17 174.31 174.23 4.46 16 0 "[ . 1 . 2]"
98 . 1 58 ILE C 1 59 GLU N 1 59 GLU CA 1 59 GLU C -156.60 -92.00 -150.36 -152.00 -152.82 0.78 17 0 "[ . 1 . 2]"
99 . 1 59 GLU N 1 59 GLU CA 1 59 GLU C 1 60 CYS N 100.70 155.90 141.58 127.30 156.07 0.17 13 0 "[ . 1 . 2]"
100 . 1 59 GLU C 1 60 CYS N 1 60 CYS CA 1 60 CYS C -167.50 -78.50 -151.33 -163.61 -133.22 . . 0 "[ . 1 . 2]"
101 . 1 60 CYS N 1 60 CYS CA 1 60 CYS C 1 61 VAL N 111.00 166.40 118.51 125.06 117.71 2.29 16 0 "[ . 1 . 2]"
102 . 1 60 CYS C 1 61 VAL N 1 61 VAL CA 1 61 VAL C -175.60 -75.60 -92.41 -93.17 -104.53 0.47 14 0 "[ . 1 . 2]"
103 . 1 61 VAL N 1 61 VAL CA 1 61 VAL C 1 62 PHE N 112.40 165.60 151.07 146.22 143.63 . . 0 "[ . 1 . 2]"
104 . 1 61 VAL C 1 62 PHE N 1 62 PHE CA 1 62 PHE C 177.40 -82.60 -158.46 -160.46 176.42 1.99 1 0 "[ . 1 . 2]"
105 . 1 62 PHE N 1 62 PHE CA 1 62 PHE C 1 63 GLU N 117.30 -179.50 151.09 116.49 -179.21 0.81 3 0 "[ . 1 . 2]"
106 . 1 62 PHE C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -159.90 -83.70 -117.90 -159.95 -88.57 0.05 19 0 "[ . 1 . 2]"
107 . 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 LEU N 116.20 174.20 161.69 122.72 175.19 0.99 7 0 "[ . 1 . 2]"
108 . 1 63 GLU C 1 64 LEU N 1 64 LEU CA 1 64 LEU C -103.20 -32.20 -90.35 -103.74 -56.86 0.54 4 0 "[ . 1 . 2]"
109 . 1 64 LEU N 1 64 LEU CA 1 64 LEU C 1 65 GLY N 109.60 153.80 127.57 111.77 148.83 . . 0 "[ . 1 . 2]"
110 . 1 65 GLY C 1 66 VAL N 1 66 VAL CA 1 66 VAL C -143.80 -43.80 -126.06 -144.29 -82.82 0.49 14 0 "[ . 1 . 2]"
111 . 1 66 VAL N 1 66 VAL CA 1 66 VAL C 1 67 THR N 103.10 147.10 108.90 102.59 125.25 0.51 12 0 "[ . 1 . 2]"
112 . 1 66 VAL C 1 67 THR N 1 67 THR CA 1 67 THR C -140.00 -40.00 -55.59 -61.25 -46.36 . . 0 "[ . 1 . 2]"
113 . 1 67 THR N 1 67 THR CA 1 67 THR C 1 68 PHE N 104.50 153.50 144.04 141.06 147.91 . . 0 "[ . 1 . 2]"
114 . 1 67 THR C 1 68 PHE N 1 68 PHE CA 1 68 PHE C -175.40 -75.40 -153.65 -165.93 -148.05 . . 0 "[ . 1 . 2]"
115 . 1 68 PHE N 1 68 PHE CA 1 68 PHE C 1 69 ASN N 113.80 -172.00 -170.98 -170.85 -171.00 4.77 17 0 "[ . 1 . 2]"
116 . 1 68 PHE C 1 69 ASN N 1 69 ASN CA 1 69 ASN C -167.80 -67.80 -137.29 -147.84 -123.26 . . 0 "[ . 1 . 2]"
117 . 1 69 ASN N 1 69 ASN CA 1 69 ASN C 1 70 CYS N 101.30 161.30 151.80 151.07 150.74 . . 0 "[ . 1 . 2]"
118 . 1 69 ASN C 1 70 CYS N 1 70 CYS CA 1 70 CYS C -170.70 -99.50 -151.94 -153.96 -154.69 . . 0 "[ . 1 . 2]"
119 . 1 70 CYS N 1 70 CYS CA 1 70 CYS C 1 71 ASN N 127.90 170.30 139.24 127.82 170.69 0.39 19 0 "[ . 1 . 2]"
120 . 1 71 ASN C 1 72 LEU N 1 72 LEU CA 1 72 LEU C -105.90 -53.30 -95.32 -99.35 -99.44 . . 0 "[ . 1 . 2]"
121 . 1 72 LEU N 1 72 LEU CA 1 72 LEU C 1 73 ALA N 147.50 -172.50 146.91 146.88 146.85 0.71 12 0 "[ . 1 . 2]"
122 . 1 72 LEU C 1 73 ALA N 1 73 ALA CA 1 73 ALA C -79.60 -39.60 -42.03 -43.67 -39.46 0.14 8 0 "[ . 1 . 2]"
123 . 1 73 ALA N 1 73 ALA CA 1 73 ALA C 1 74 ASP N -49.30 -5.10 -33.06 -29.86 -31.68 . . 0 "[ . 1 . 2]"
124 . 1 73 ALA C 1 74 ASP N 1 74 ASP CA 1 74 ASP C -111.60 -57.80 -62.15 -70.20 -57.58 0.22 9 0 "[ . 1 . 2]"
125 . 1 74 ASP N 1 74 ASP CA 1 74 ASP C 1 75 GLY N -17.00 23.00 10.61 15.83 14.45 . . 0 "[ . 1 . 2]"
126 . 1 75 GLY C 1 76 THR N 1 76 THR CA 1 76 THR C -100.00 -46.00 -99.89 -100.29 -98.46 0.29 8 0 "[ . 1 . 2]"
127 . 1 76 THR N 1 76 THR CA 1 76 THR C 1 77 GLU N 99.00 159.00 161.97 161.25 162.44 3.44 6 0 "[ . 1 . 2]"
128 . 1 76 THR C 1 77 GLU N 1 77 GLU CA 1 77 GLU C -132.00 -48.00 -132.62 -133.62 -128.83 1.62 4 0 "[ . 1 . 2]"
129 . 1 77 GLU N 1 77 GLU CA 1 77 GLU C 1 78 LEU N 61.00 161.00 120.66 114.78 126.16 . . 0 "[ . 1 . 2]"
130 . 1 77 GLU C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -170.80 -70.80 -132.22 -130.39 -132.59 . . 0 "[ . 1 . 2]"
131 . 1 78 LEU N 1 78 LEU CA 1 78 LEU C 1 79 ARG N 98.80 -176.40 160.20 141.49 166.11 . . 0 "[ . 1 . 2]"
132 . 1 78 LEU C 1 79 ARG N 1 79 ARG CA 1 79 ARG C -168.20 -75.00 -142.37 -140.51 -141.95 . . 0 "[ . 1 . 2]"
133 . 1 79 ARG N 1 79 ARG CA 1 79 ARG C 1 80 GLY N 75.80 167.40 144.18 140.14 152.33 . . 0 "[ . 1 . 2]"
134 . 1 80 GLY C 1 81 THR N 1 81 THR CA 1 81 THR C 167.10 -92.90 172.12 173.80 173.38 0.36 8 0 "[ . 1 . 2]"
135 . 1 81 THR N 1 81 THR CA 1 81 THR C 1 82 TRP N 140.60 -176.40 157.82 158.95 158.42 . . 0 "[ . 1 . 2]"
136 . 1 81 THR C 1 82 TRP N 1 82 TRP CA 1 82 TRP C 177.60 -102.80 -102.50 -108.45 -101.60 1.20 15 0 "[ . 1 . 2]"
137 . 1 82 TRP N 1 82 TRP CA 1 82 TRP C 1 83 SER N 121.40 176.00 141.73 142.13 141.67 . . 0 "[ . 1 . 2]"
138 . 1 82 TRP C 1 83 SER N 1 83 SER CA 1 83 SER C -177.30 -79.90 -140.38 -140.68 -141.01 . . 0 "[ . 1 . 2]"
139 . 1 83 SER N 1 83 SER CA 1 83 SER C 1 84 LEU N 104.10 154.50 155.35 156.70 156.31 3.18 14 0 "[ . 1 . 2]"
140 . 1 83 SER C 1 84 LEU N 1 84 LEU CA 1 84 LEU C -164.00 -64.00 -91.28 -97.88 -62.39 1.61 11 0 "[ . 1 . 2]"
141 . 1 84 LEU N 1 84 LEU CA 1 84 LEU C 1 85 GLU N 102.50 142.50 127.26 125.85 123.19 . . 0 "[ . 1 . 2]"
142 . 1 84 LEU C 1 85 GLU N 1 85 GLU CA 1 85 GLU C -174.90 -74.90 -127.43 -160.32 -109.33 . . 0 "[ . 1 . 2]"
143 . 1 85 GLU N 1 85 GLU CA 1 85 GLU C 1 86 GLY N 64.20 164.20 120.15 113.48 111.63 . . 0 "[ . 1 . 2]"
144 . 1 85 GLU C 1 86 GLY N 1 86 GLY CA 1 86 GLY C 52.90 92.90 60.17 52.07 64.68 0.83 8 0 "[ . 1 . 2]"
145 . 1 86 GLY N 1 86 GLY CA 1 86 GLY C 1 87 ASN N -141.70 -101.70 -107.30 -117.72 -101.34 0.36 16 0 "[ . 1 . 2]"
146 . 1 86 GLY C 1 87 ASN N 1 87 ASN CA 1 87 ASN C -123.40 -60.80 -125.28 -125.99 -124.77 2.59 8 0 "[ . 1 . 2]"
147 . 1 87 ASN N 1 87 ASN CA 1 87 ASN C 1 88 LYS N -37.00 33.20 33.95 34.12 33.93 1.22 2 0 "[ . 1 . 2]"
148 . 1 87 ASN C 1 88 LYS N 1 88 LYS CA 1 88 LYS C 178.10 -81.90 -145.07 -165.02 -140.36 . . 0 "[ . 1 . 2]"
149 . 1 88 LYS N 1 88 LYS CA 1 88 LYS C 1 89 LEU N 123.30 163.30 155.79 143.13 163.64 0.34 1 0 "[ . 1 . 2]"
150 . 1 88 LYS C 1 89 LEU N 1 89 LEU CA 1 89 LEU C -153.80 -65.00 -96.24 -92.75 -94.55 . . 0 "[ . 1 . 2]"
151 . 1 89 LEU N 1 89 LEU CA 1 89 LEU C 1 90 ILE N 99.60 164.60 110.06 108.77 108.01 . . 0 "[ . 1 . 2]"
152 . 1 89 LEU C 1 90 ILE N 1 90 ILE CA 1 90 ILE C -134.00 -70.60 -79.86 -94.13 -72.12 . . 0 "[ . 1 . 2]"
153 . 1 90 ILE N 1 90 ILE CA 1 90 ILE C 1 91 GLY N 72.50 160.90 164.20 164.72 164.58 4.13 2 0 "[ . 1 . 2]"
154 . 1 90 ILE C 1 91 GLY N 1 91 GLY CA 1 91 GLY C -144.60 -54.20 -147.04 -146.37 -146.60 3.64 8 0 "[ . 1 . 2]"
155 . 1 91 GLY N 1 91 GLY CA 1 91 GLY C 1 92 LYS N 82.80 149.80 95.70 95.59 95.41 . . 0 "[ . 1 . 2]"
156 . 1 91 GLY C 1 92 LYS N 1 92 LYS CA 1 92 LYS C -135.30 -79.10 -88.58 -88.14 -88.50 . . 0 "[ . 1 . 2]"
157 . 1 92 LYS N 1 92 LYS CA 1 92 LYS C 1 93 PHE N 103.30 151.70 104.79 102.14 108.91 1.16 17 0 "[ . 1 . 2]"
158 . 1 92 LYS C 1 93 PHE N 1 93 PHE CA 1 93 PHE C -178.10 -83.90 -117.92 -126.72 -115.71 . . 0 "[ . 1 . 2]"
159 . 1 93 PHE N 1 93 PHE CA 1 93 PHE C 1 94 LYS N 125.50 -174.70 138.10 145.72 142.68 0.44 16 0 "[ . 1 . 2]"
160 . 1 93 PHE C 1 94 LYS N 1 94 LYS CA 1 94 LYS C 172.10 -88.70 -122.86 -143.33 -105.63 . . 0 "[ . 1 . 2]"
161 . 1 94 LYS N 1 94 LYS CA 1 94 LYS C 1 95 ARG N 109.00 177.60 120.33 120.60 119.38 . . 0 "[ . 1 . 2]"
162 . 1 94 LYS C 1 95 ARG N 1 95 ARG CA 1 95 ARG C -130.40 -30.40 -51.14 -57.74 -43.79 . . 0 "[ . 1 . 2]"
163 . 1 95 ARG N 1 95 ARG CA 1 95 ARG C 1 96 THR N 115.40 -176.60 115.29 115.11 115.06 0.66 16 0 "[ . 1 . 2]"
164 . 1 95 ARG C 1 96 THR N 1 96 THR CA 1 96 THR C -89.90 -29.90 -72.66 -69.87 -70.32 . . 0 "[ . 1 . 2]"
165 . 1 96 THR N 1 96 THR CA 1 96 THR C 1 97 ASP N -63.50 -3.50 -11.09 -12.42 -12.61 . . 0 "[ . 1 . 2]"
166 . 1 96 THR C 1 97 ASP N 1 97 ASP CA 1 97 ASP C -92.00 -38.00 -84.42 -91.98 -77.67 . . 0 "[ . 1 . 2]"
167 . 1 97 ASP N 1 97 ASP CA 1 97 ASP C 1 98 ASN N -52.00 16.00 -42.24 -47.13 -48.29 0.14 13 0 "[ . 1 . 2]"
168 . 1 97 ASP C 1 98 ASN N 1 98 ASN CA 1 98 ASN C -132.00 -44.60 -132.44 -132.55 -132.57 0.66 20 0 "[ . 1 . 2]"
169 . 1 98 ASN N 1 98 ASN CA 1 98 ASN C 1 99 GLY N -21.80 21.40 7.64 -0.87 14.55 . . 0 "[ . 1 . 2]"
170 . 1 101 GLU C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -176.40 -76.40 -149.50 -153.53 -157.39 . . 0 "[ . 1 . 2]"
171 . 1 102 LEU N 1 102 LEU CA 1 102 LEU C 1 103 ASN N 109.50 149.50 124.42 128.06 127.25 0.52 18 0 "[ . 1 . 2]"
172 . 1 102 LEU C 1 103 ASN N 1 103 ASN CA 1 103 ASN C -175.00 -75.00 -112.46 -116.51 -116.93 . . 0 "[ . 1 . 2]"
173 . 1 103 ASN N 1 103 ASN CA 1 103 ASN C 1 104 THR N 104.20 155.60 114.42 118.61 116.49 . . 0 "[ . 1 . 2]"
174 . 1 103 ASN C 1 104 THR N 1 104 THR CA 1 104 THR C -157.70 -76.30 -127.01 -159.59 -121.09 1.89 8 0 "[ . 1 . 2]"
175 . 1 104 THR N 1 104 THR CA 1 104 THR C 1 105 VAL N 75.80 175.80 176.08 176.11 175.98 0.76 13 0 "[ . 1 . 2]"
176 . 1 104 THR C 1 105 VAL N 1 105 VAL CA 1 105 VAL C -155.10 -87.50 -147.01 -149.71 -142.98 . . 0 "[ . 1 . 2]"
177 . 1 105 VAL N 1 105 VAL CA 1 105 VAL C 1 106 ARG N 114.00 166.80 155.96 153.38 150.82 . . 0 "[ . 1 . 2]"
178 . 1 105 VAL C 1 106 ARG N 1 106 ARG CA 1 106 ARG C -172.20 -87.00 -129.20 -138.18 -121.80 . . 0 "[ . 1 . 2]"
179 . 1 106 ARG N 1 106 ARG CA 1 106 ARG C 1 107 GLU N 109.50 171.30 134.95 133.88 132.88 . . 0 "[ . 1 . 2]"
180 . 1 106 ARG C 1 107 GLU N 1 107 GLU CA 1 107 GLU C -172.30 -79.30 -137.73 -145.71 -129.31 . . 0 "[ . 1 . 2]"
181 . 1 107 GLU N 1 107 GLU CA 1 107 GLU C 1 108 ILE N 117.40 157.40 158.49 157.88 157.77 1.78 18 0 "[ . 1 . 2]"
182 . 1 107 GLU C 1 108 ILE N 1 108 ILE CA 1 108 ILE C -156.20 -59.20 -122.85 -123.15 -124.23 . . 0 "[ . 1 . 2]"
183 . 1 108 ILE N 1 108 ILE CA 1 108 ILE C 1 109 ILE N 83.70 163.70 82.61 82.15 83.46 1.55 18 0 "[ . 1 . 2]"
184 . 1 108 ILE C 1 109 ILE N 1 109 ILE CA 1 109 ILE C -159.70 -59.70 -63.67 -68.38 -60.27 . . 0 "[ . 1 . 2]"
185 . 1 109 ILE N 1 109 ILE CA 1 109 ILE C 1 110 GLY N 94.70 142.90 92.00 91.68 92.37 3.02 13 0 "[ . 1 . 2]"
186 . 1 110 GLY C 1 111 ASP N 1 111 ASP CA 1 111 ASP C -130.70 -56.30 -127.06 -130.85 -118.18 0.15 2 0 "[ . 1 . 2]"
187 . 1 111 ASP N 1 111 ASP CA 1 111 ASP C 1 112 GLU N -36.70 28.30 29.51 29.31 29.24 1.81 14 0 "[ . 1 . 2]"
188 . 1 112 GLU C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -152.70 -52.70 -101.08 -107.76 -95.65 . . 0 "[ . 1 . 2]"
189 . 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 VAL N 102.90 142.90 112.80 113.93 113.34 . . 0 "[ . 1 . 2]"
190 . 1 113 LEU C 1 114 VAL N 1 114 VAL CA 1 114 VAL C -149.70 -51.70 -98.99 -108.26 -90.59 . . 0 "[ . 1 . 2]"
191 . 1 114 VAL N 1 114 VAL CA 1 114 VAL C 1 115 GLN N 92.90 147.50 111.52 106.77 118.50 . . 0 "[ . 1 . 2]"
192 . 1 114 VAL C 1 115 GLN N 1 115 GLN CA 1 115 GLN C -143.90 -72.70 -111.83 -108.45 -109.55 . . 0 "[ . 1 . 2]"
193 . 1 115 GLN N 1 115 GLN CA 1 115 GLN C 1 116 THR N 103.40 145.20 105.55 106.10 105.29 0.34 13 0 "[ . 1 . 2]"
194 . 1 115 GLN C 1 116 THR N 1 116 THR CA 1 116 THR C -139.20 -74.60 -102.04 -97.01 -99.59 . . 0 "[ . 1 . 2]"
195 . 1 116 THR N 1 116 THR CA 1 116 THR C 1 117 TYR N 108.40 148.40 145.52 145.28 144.70 0.09 16 0 "[ . 1 . 2]"
196 . 1 116 THR C 1 117 TYR N 1 117 TYR CA 1 117 TYR C -168.30 -79.50 -126.32 -121.99 -123.11 . . 0 "[ . 1 . 2]"
197 . 1 117 TYR N 1 117 TYR CA 1 117 TYR C 1 118 VAL N 115.00 -176.80 152.09 154.97 152.85 . . 0 "[ . 1 . 2]"
198 . 1 117 TYR C 1 118 VAL N 1 118 VAL CA 1 118 VAL C -157.90 -88.70 -119.90 -131.20 -110.58 . . 0 "[ . 1 . 2]"
199 . 1 118 VAL N 1 118 VAL CA 1 118 VAL C 1 119 TYR N 113.30 157.70 148.11 147.07 150.23 . . 0 "[ . 1 . 2]"
200 . 1 118 VAL C 1 119 TYR N 1 119 TYR CA 1 119 TYR C -174.90 -82.50 -144.71 -148.22 -140.64 . . 0 "[ . 1 . 2]"
201 . 1 119 TYR N 1 119 TYR CA 1 119 TYR C 1 120 GLU N 111.00 151.00 110.84 110.06 114.18 0.94 18 0 "[ . 1 . 2]"
202 . 1 119 TYR C 1 120 GLU N 1 120 GLU CA 1 120 GLU C 30.40 70.40 48.30 45.57 52.85 . . 0 "[ . 1 . 2]"
203 . 1 120 GLU N 1 120 GLU CA 1 120 GLU C 1 121 GLY N 11.90 71.90 18.69 20.16 19.55 . . 0 "[ . 1 . 2]"
204 . 1 120 GLU C 1 121 GLY N 1 121 GLY CA 1 121 GLY C 51.00 111.00 112.41 112.66 112.50 1.91 18 0 "[ . 1 . 2]"
205 . 1 121 GLY N 1 121 GLY CA 1 121 GLY C 1 122 VAL N -32.00 28.00 28.34 28.32 28.30 0.63 18 0 "[ . 1 . 2]"
206 . 1 121 GLY C 1 122 VAL N 1 122 VAL CA 1 122 VAL C -124.70 -65.70 -122.97 -124.34 -121.39 . . 0 "[ . 1 . 2]"
207 . 1 122 VAL N 1 122 VAL CA 1 122 VAL C 1 123 GLU N 92.50 173.50 176.76 176.11 177.23 3.73 8 0 "[ . 1 . 2]"
208 . 1 122 VAL C 1 123 GLU N 1 123 GLU CA 1 123 GLU C -155.50 -86.70 -155.64 -156.47 -153.50 0.97 15 0 "[ . 1 . 2]"
209 . 1 123 GLU N 1 123 GLU CA 1 123 GLU C 1 124 ALA N 112.10 167.30 121.68 118.52 117.23 0.31 12 0 "[ . 1 . 2]"
210 . 1 123 GLU C 1 124 ALA N 1 124 ALA CA 1 124 ALA C -173.50 -87.90 -114.28 -122.77 -105.01 . . 0 "[ . 1 . 2]"
211 . 1 124 ALA N 1 124 ALA CA 1 124 ALA C 1 125 LYS N 129.70 176.90 152.58 156.54 154.38 . . 0 "[ . 1 . 2]"
212 . 1 124 ALA C 1 125 LYS N 1 125 LYS CA 1 125 LYS C 171.30 -112.30 -130.90 -145.27 -119.83 . . 0 "[ . 1 . 2]"
213 . 1 125 LYS N 1 125 LYS CA 1 125 LYS C 1 126 ARG N 132.80 173.40 138.87 136.08 140.59 . . 0 "[ . 1 . 2]"
214 . 1 125 LYS C 1 126 ARG N 1 126 ARG CA 1 126 ARG C 173.10 -100.70 -132.39 -133.64 -134.90 . . 0 "[ . 1 . 2]"
215 . 1 126 ARG N 1 126 ARG CA 1 126 ARG C 1 127 ILE N 114.30 162.50 115.27 114.10 114.05 0.55 13 0 "[ . 1 . 2]"
216 . 1 126 ARG C 1 127 ILE N 1 127 ILE CA 1 127 ILE C -160.50 -82.70 -109.25 -118.01 -104.57 . . 0 "[ . 1 . 2]"
217 . 1 127 ILE N 1 127 ILE CA 1 127 ILE C 1 128 PHE N 124.30 167.30 124.72 122.72 131.41 1.58 20 0 "[ . 1 . 2]"
218 . 1 127 ILE C 1 128 PHE N 1 128 PHE CA 1 128 PHE C -170.30 -70.70 -100.34 -107.10 -95.53 . . 0 "[ . 1 . 2]"
219 . 1 128 PHE N 1 128 PHE CA 1 128 PHE C 1 129 LYS N 115.80 175.80 175.26 166.21 177.95 2.15 13 0 "[ . 1 . 2]"
220 . 1 128 PHE C 1 129 LYS N 1 129 LYS CA 1 129 LYS C -173.60 -82.00 -159.87 -163.86 -164.52 . . 0 "[ . 1 . 2]"
221 . 1 129 LYS N 1 129 LYS CA 1 129 LYS C 1 130 LYS N 109.70 169.90 154.47 159.30 157.08 . . 0 "[ . 1 . 2]"
222 . 1 129 LYS C 1 130 LYS N 1 130 LYS CA 1 130 LYS C -104.70 -48.10 -48.22 -57.96 -46.69 1.41 13 0 "[ . 1 . 2]"
223 . 1 130 LYS N 1 130 LYS CA 1 130 LYS C 1 131 ASP N 106.80 154.00 133.21 128.91 138.74 . . 0 "[ . 1 . 2]"
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