NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
629082 |
5xyl   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_5xyl
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 325
_TA_constraint_stats_list.Viol_total 4021.78
_TA_constraint_stats_list.Viol_max 5.75
_TA_constraint_stats_list.Viol_rms 0.60
_TA_constraint_stats_list.Viol_average_all_restraints 0.19
_TA_constraint_stats_list.Viol_average_violations_only 1.24
_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 2 PRO C 1 3 SER N 1 3 SER CA 1 3 SER C -156.00 -39.80 -119.15 -138.06 -148.20 0.52 8 0 "[ . 1]"
2 . 1 3 SER N 1 3 SER CA 1 3 SER C 1 4 ILE N 89.00 -153.60 160.85 134.88 -171.37 . . 0 "[ . 1]"
3 . 1 3 SER C 1 4 ILE N 1 4 ILE CA 1 4 ILE C -157.50 -97.30 -101.00 -96.17 -96.60 1.93 4 0 "[ . 1]"
4 . 1 4 ILE N 1 4 ILE CA 1 4 ILE C 1 5 LYS N 113.70 -177.30 130.32 112.88 146.59 0.82 2 0 "[ . 1]"
5 . 1 4 ILE C 1 5 LYS N 1 5 LYS CA 1 5 LYS C -154.30 -82.50 -120.11 -145.03 -103.04 . . 0 "[ . 1]"
6 . 1 5 LYS N 1 5 LYS CA 1 5 LYS C 1 6 LEU N 98.20 175.10 130.26 110.66 149.17 . . 0 "[ . 1]"
7 . 1 5 LYS C 1 6 LEU N 1 6 LEU CA 1 6 LEU C -157.10 -79.70 -143.22 -128.79 -139.59 . . 0 "[ . 1]"
8 . 1 6 LEU N 1 6 LEU CA 1 6 LEU C 1 7 GLN N 88.90 170.30 143.21 144.42 140.59 . . 0 "[ . 1]"
9 . 1 6 LEU C 1 7 GLN N 1 7 GLN CA 1 7 GLN C -145.20 -105.20 -109.22 -105.20 -108.30 1.18 7 0 "[ . 1]"
10 . 1 7 GLN N 1 7 GLN CA 1 7 GLN C 1 8 SER N 103.80 172.70 122.18 113.17 127.88 . . 0 "[ . 1]"
11 . 1 7 GLN C 1 8 SER N 1 8 SER CA 1 8 SER C -127.70 -32.70 -66.20 -74.39 -60.32 . . 0 "[ . 1]"
12 . 1 8 SER N 1 8 SER CA 1 8 SER C 1 9 SER N 115.70 177.00 171.58 174.05 170.16 0.52 4 0 "[ . 1]"
13 . 1 8 SER C 1 9 SER N 1 9 SER CA 1 9 SER C -79.40 -39.40 -61.60 -59.94 -60.30 . . 0 "[ . 1]"
14 . 1 9 SER N 1 9 SER CA 1 9 SER C 1 10 ASP N -51.10 -11.10 -26.07 -31.24 -33.57 0.30 8 0 "[ . 1]"
15 . 1 9 SER C 1 10 ASP N 1 10 ASP CA 1 10 ASP C -109.10 -66.80 -90.93 -107.82 -82.22 . . 0 "[ . 1]"
16 . 1 10 ASP N 1 10 ASP CA 1 10 ASP C 1 11 GLY N -11.30 28.70 -4.21 13.53 4.47 3.08 8 0 "[ . 1]"
17 . 1 10 ASP C 1 11 GLY N 1 11 GLY CA 1 11 GLY C 67.10 107.10 102.82 94.60 109.37 2.27 9 0 "[ . 1]"
18 . 1 11 GLY N 1 11 GLY CA 1 11 GLY C 1 12 GLU N -19.40 22.50 3.79 -10.45 22.94 0.44 4 0 "[ . 1]"
19 . 1 12 GLU C 1 13 ILE N 1 13 ILE CA 1 13 ILE C -138.10 -71.70 -95.01 -122.81 -72.63 . . 0 "[ . 1]"
20 . 1 13 ILE N 1 13 ILE CA 1 13 ILE C 1 14 PHE N 89.60 157.10 133.27 120.43 145.14 . . 0 "[ . 1]"
21 . 1 13 ILE C 1 14 PHE N 1 14 PHE CA 1 14 PHE C -157.80 -59.90 -122.02 -135.11 -105.83 . . 0 "[ . 1]"
22 . 1 14 PHE N 1 14 PHE CA 1 14 PHE C 1 15 GLU N 108.40 148.40 139.44 140.94 138.00 0.89 3 0 "[ . 1]"
23 . 1 14 PHE C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -155.40 -64.90 -130.95 -136.88 -120.23 . . 0 "[ . 1]"
24 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 VAL N 98.30 159.00 136.77 134.89 133.83 . . 0 "[ . 1]"
25 . 1 15 GLU C 1 16 VAL N 1 16 VAL CA 1 16 VAL C -157.40 -99.50 -152.89 -158.91 -136.99 1.51 8 0 "[ . 1]"
26 . 1 16 VAL N 1 16 VAL CA 1 16 VAL C 1 17 ASP N 109.00 175.40 171.85 163.34 176.91 1.51 7 0 "[ . 1]"
27 . 1 16 VAL C 1 17 ASP N 1 17 ASP CA 1 17 ASP C -107.90 -49.80 -56.78 -67.78 -50.00 . . 0 "[ . 1]"
28 . 1 17 ASP N 1 17 ASP CA 1 17 ASP C 1 18 VAL N 104.00 173.50 135.91 140.86 135.97 . . 0 "[ . 1]"
29 . 1 17 ASP C 1 18 VAL N 1 18 VAL CA 1 18 VAL C -75.10 -35.10 -71.41 -70.69 -73.29 0.74 7 0 "[ . 1]"
30 . 1 18 VAL N 1 18 VAL CA 1 18 VAL C 1 19 GLU N -62.00 -15.30 -20.31 -20.39 -22.94 0.04 7 0 "[ . 1]"
31 . 1 18 VAL C 1 19 GLU N 1 19 GLU CA 1 19 GLU C -80.40 -40.40 -66.40 -66.25 -68.41 . . 0 "[ . 1]"
32 . 1 19 GLU N 1 19 GLU CA 1 19 GLU C 1 20 ILE N -62.90 -22.90 -29.18 -28.00 -30.50 . . 0 "[ . 1]"
33 . 1 19 GLU C 1 20 ILE N 1 20 ILE CA 1 20 ILE C -84.30 -44.30 -75.73 -80.89 -71.62 . . 0 "[ . 1]"
34 . 1 20 ILE N 1 20 ILE CA 1 20 ILE C 1 21 ALA N -56.50 -16.50 -38.24 -36.97 -39.17 . . 0 "[ . 1]"
35 . 1 20 ILE C 1 21 ALA N 1 21 ALA CA 1 21 ALA C -87.60 -47.60 -70.83 -67.49 -67.88 . . 0 "[ . 1]"
36 . 1 21 ALA N 1 21 ALA CA 1 21 ALA C 1 22 LYS N -63.10 -3.80 -14.58 -21.61 -7.67 . . 0 "[ . 1]"
37 . 1 21 ALA C 1 22 LYS N 1 22 LYS CA 1 22 LYS C -105.40 -30.60 -66.27 -74.90 -54.97 . . 0 "[ . 1]"
38 . 1 22 LYS N 1 22 LYS CA 1 22 LYS C 1 23 GLN N -67.10 3.60 -17.06 -12.13 -13.48 . . 0 "[ . 1]"
39 . 1 22 LYS C 1 23 GLN N 1 23 GLN CA 1 23 GLN C -115.20 -56.00 -79.98 -95.23 -69.90 . . 0 "[ . 1]"
40 . 1 23 GLN N 1 23 GLN CA 1 23 GLN C 1 24 SER N -71.90 28.30 -35.60 -60.13 2.89 . . 0 "[ . 1]"
41 . 1 23 GLN C 1 24 SER N 1 24 SER CA 1 24 SER C -159.50 -34.80 -75.02 -70.90 -75.08 . . 0 "[ . 1]"
42 . 1 24 SER N 1 24 SER CA 1 24 SER C 1 25 VAL N 60.10 138.50 124.94 119.71 111.76 1.30 8 0 "[ . 1]"
43 . 1 24 SER C 1 25 VAL N 1 25 VAL CA 1 25 VAL C -82.70 -35.90 -74.58 -68.77 -71.79 2.21 6 0 "[ . 1]"
44 . 1 25 VAL N 1 25 VAL CA 1 25 VAL C 1 26 THR N -57.10 -17.10 -46.89 -55.13 -37.00 . . 0 "[ . 1]"
45 . 1 25 VAL C 1 26 THR N 1 26 THR CA 1 26 THR C -87.00 -47.00 -61.90 -65.01 -73.42 . . 0 "[ . 1]"
46 . 1 26 THR N 1 26 THR CA 1 26 THR C 1 27 ILE N -58.10 -2.80 -35.70 -48.80 -4.31 . . 0 "[ . 1]"
47 . 1 26 THR C 1 27 ILE N 1 27 ILE CA 1 27 ILE C -84.60 -44.60 -72.15 -78.02 -85.59 0.99 1 0 "[ . 1]"
48 . 1 27 ILE N 1 27 ILE CA 1 27 ILE C 1 28 LYS N -64.70 -24.70 -34.95 -45.03 -22.54 2.16 6 0 "[ . 1]"
49 . 1 27 ILE C 1 28 LYS N 1 28 LYS CA 1 28 LYS C -82.10 -42.10 -58.82 -57.76 -62.26 . . 0 "[ . 1]"
50 . 1 28 LYS N 1 28 LYS CA 1 28 LYS C 1 29 THR N -59.70 -19.70 -41.26 -33.64 -38.31 . . 0 "[ . 1]"
51 . 1 28 LYS C 1 29 THR N 1 29 THR CA 1 29 THR C -86.90 -46.90 -71.04 -88.01 -59.08 1.11 9 0 "[ . 1]"
52 . 1 29 THR N 1 29 THR CA 1 29 THR C 1 30 MET N -62.50 -22.50 -40.71 -54.42 -31.27 . . 0 "[ . 1]"
53 . 1 29 THR C 1 30 MET N 1 30 MET CA 1 30 MET C -84.50 -44.50 -62.87 -67.62 -59.33 . . 0 "[ . 1]"
54 . 1 30 MET N 1 30 MET CA 1 30 MET C 1 31 LEU N -64.20 -24.20 -35.01 -30.97 -34.62 2.15 8 0 "[ . 1]"
55 . 1 30 MET C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -80.00 -40.00 -63.31 -62.77 -66.12 . . 0 "[ . 1]"
56 . 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 GLU N -61.70 -21.70 -36.32 -53.14 -21.36 0.34 4 0 "[ . 1]"
57 . 1 32 GLU N 1 32 GLU CA 1 32 GLU C 1 33 ASP N -59.20 -19.20 -36.45 -33.26 -39.48 0.17 9 0 "[ . 1]"
58 . 1 32 GLU C 1 33 ASP N 1 33 ASP CA 1 33 ASP C -81.50 -41.50 -75.10 -83.72 -58.49 2.22 7 0 "[ . 1]"
59 . 1 33 ASP N 1 33 ASP CA 1 33 ASP C 1 34 LEU N -67.30 -3.80 -55.77 -54.01 -60.90 2.14 8 0 "[ . 1]"
60 . 1 33 ASP C 1 34 LEU N 1 34 LEU CA 1 34 LEU C -125.30 -49.80 -108.66 -99.06 -109.90 . . 0 "[ . 1]"
61 . 1 34 LEU N 1 34 LEU CA 1 34 LEU C 1 35 GLY N -35.60 16.20 -4.62 -36.53 18.34 2.14 4 0 "[ . 1]"
62 . 1 37 ASP C 1 38 ASP N 1 38 ASP CA 1 38 ASP C -110.70 -35.50 -95.98 -94.53 -106.51 0.82 8 0 "[ . 1]"
63 . 1 38 ASP N 1 38 ASP CA 1 38 ASP C 1 39 GLU N -56.30 -6.40 -40.97 -42.21 -50.31 3.02 1 0 "[ . 1]"
64 . 1 38 ASP C 1 39 GLU N 1 39 GLU CA 1 39 GLU C -131.90 -47.90 -110.41 -130.36 -77.74 . . 0 "[ . 1]"
65 . 1 39 GLU N 1 39 GLU CA 1 39 GLU C 1 40 GLY N -29.10 19.10 -24.55 -30.66 -31.15 2.55 8 0 "[ . 1]"
66 . 1 39 GLU C 1 40 GLY N 1 40 GLY CA 1 40 GLY C 59.60 116.60 106.49 91.96 117.03 0.43 4 0 "[ . 1]"
67 . 1 40 GLY N 1 40 GLY CA 1 40 GLY C 1 41 ASP N -23.70 51.10 -25.65 -27.73 -23.02 4.03 8 0 "[ . 1]"
68 . 1 42 ASP C 1 43 ASP N 1 43 ASP CA 1 43 ASP C -129.90 -34.80 -99.19 -111.30 -53.93 . . 0 "[ . 1]"
69 . 1 43 ASP N 1 43 ASP CA 1 43 ASP C 1 44 PRO N 65.20 -161.90 118.94 107.52 129.17 . . 0 "[ . 1]"
70 . 1 46 PRO C 1 47 LEU N 1 47 LEU CA 1 47 LEU C -145.20 -105.20 -115.02 -123.98 -107.60 . . 0 "[ . 1]"
71 . 1 47 LEU N 1 47 LEU CA 1 47 LEU C 1 48 PRO N 72.50 -165.10 95.72 86.45 106.82 . . 0 "[ . 1]"
72 . 1 48 PRO C 1 49 ASN N 1 49 ASN CA 1 49 ASN C -121.30 -56.70 -103.90 -90.66 -106.05 1.36 3 0 "[ . 1]"
73 . 1 49 ASN N 1 49 ASN CA 1 49 ASN C 1 50 VAL N -49.20 45.00 -45.09 -50.56 -29.60 1.36 2 0 "[ . 1]"
74 . 1 50 VAL C 1 51 ASN N 1 51 ASN CA 1 51 ASN C -142.70 -31.70 -91.35 -95.80 -98.06 . . 0 "[ . 1]"
75 . 1 51 ASN N 1 51 ASN CA 1 51 ASN C 1 52 ALA N 113.60 -170.10 173.93 -176.77 176.50 0.09 8 0 "[ . 1]"
76 . 1 51 ASN C 1 52 ALA N 1 52 ALA CA 1 52 ALA C -79.60 -39.60 -58.64 -54.98 -62.77 . . 0 "[ . 1]"
77 . 1 52 ALA N 1 52 ALA CA 1 52 ALA C 1 53 ALA N -55.90 -15.90 -38.38 -49.92 -22.00 . . 0 "[ . 1]"
78 . 1 52 ALA C 1 53 ALA N 1 53 ALA CA 1 53 ALA C -79.10 -39.10 -54.72 -59.34 -63.39 . . 0 "[ . 1]"
79 . 1 53 ALA N 1 53 ALA CA 1 53 ALA C 1 54 ILE N -65.30 -25.30 -45.96 -57.63 -38.12 . . 0 "[ . 1]"
80 . 1 53 ALA C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -91.30 -51.30 -89.59 -93.20 -75.30 1.90 10 0 "[ . 1]"
81 . 1 54 ILE N 1 54 ILE CA 1 54 ILE C 1 55 LEU N -55.70 -15.70 -36.63 -42.87 -29.90 . . 0 "[ . 1]"
82 . 1 54 ILE C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -83.10 -43.10 -57.12 -56.23 -56.80 . . 0 "[ . 1]"
83 . 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 LYS N -61.40 -21.40 -46.95 -55.62 -36.90 . . 0 "[ . 1]"
84 . 1 55 LEU C 1 56 LYS N 1 56 LYS CA 1 56 LYS C -79.70 -39.70 -65.58 -70.65 -62.03 . . 0 "[ . 1]"
85 . 1 56 LYS N 1 56 LYS CA 1 56 LYS C 1 57 LYS N -61.40 -21.40 -27.49 -30.79 -32.51 0.50 6 0 "[ . 1]"
86 . 1 56 LYS C 1 57 LYS N 1 57 LYS CA 1 57 LYS C -84.10 -44.10 -72.99 -82.33 -66.63 . . 0 "[ . 1]"
87 . 1 57 LYS N 1 57 LYS CA 1 57 LYS C 1 58 VAL N -62.20 -22.20 -33.93 -36.34 -39.51 . . 0 "[ . 1]"
88 . 1 57 LYS C 1 58 VAL N 1 58 VAL CA 1 58 VAL C -84.20 -44.20 -74.67 -85.17 -65.68 0.97 6 0 "[ . 1]"
89 . 1 58 VAL N 1 58 VAL CA 1 58 VAL C 1 59 ILE N -61.50 -21.50 -42.25 -41.08 -42.54 . . 0 "[ . 1]"
90 . 1 58 VAL C 1 59 ILE N 1 59 ILE CA 1 59 ILE C -82.50 -42.50 -78.50 -76.62 -78.56 0.35 4 0 "[ . 1]"
91 . 1 59 ILE N 1 59 ILE CA 1 59 ILE C 1 60 GLN N -60.30 -20.30 -22.59 -20.48 -21.58 1.32 6 0 "[ . 1]"
92 . 1 59 ILE C 1 60 GLN N 1 60 GLN CA 1 60 GLN C -86.30 -46.30 -68.79 -72.90 -79.12 . . 0 "[ . 1]"
93 . 1 60 GLN N 1 60 GLN CA 1 60 GLN C 1 61 TRP N -64.00 -24.00 -23.70 -22.80 -23.19 2.91 5 0 "[ . 1]"
94 . 1 60 GLN C 1 61 TRP N 1 61 TRP CA 1 61 TRP C -84.50 -44.50 -63.68 -67.23 -57.65 . . 0 "[ . 1]"
95 . 1 61 TRP N 1 61 TRP CA 1 61 TRP C 1 62 CYS N -61.90 -21.90 -47.14 -53.69 -37.91 . . 0 "[ . 1]"
96 . 1 61 TRP C 1 62 CYS N 1 62 CYS CA 1 62 CYS C -82.00 -42.00 -61.87 -61.46 -64.14 . . 0 "[ . 1]"
97 . 1 62 CYS N 1 62 CYS CA 1 62 CYS C 1 63 THR N -61.00 -21.00 -37.16 -46.27 -30.80 . . 0 "[ . 1]"
98 . 1 62 CYS C 1 63 THR N 1 63 THR CA 1 63 THR C -87.60 -47.60 -51.51 -46.97 -47.48 1.01 7 0 "[ . 1]"
99 . 1 63 THR N 1 63 THR CA 1 63 THR C 1 64 HIS N -58.50 -18.50 -50.54 -49.94 -51.98 3.78 7 0 "[ . 1]"
100 . 1 63 THR C 1 64 HIS N 1 64 HIS CA 1 64 HIS C -84.60 -44.60 -81.72 -80.97 -84.40 4.11 7 0 "[ . 1]"
101 . 1 64 HIS N 1 64 HIS CA 1 64 HIS C 1 65 HIS N -66.50 -16.00 -17.94 -20.70 -32.93 2.37 9 0 "[ . 1]"
102 . 1 64 HIS C 1 65 HIS N 1 65 HIS CA 1 65 HIS C -111.90 -44.20 -84.24 -105.15 -64.54 . . 0 "[ . 1]"
103 . 1 65 HIS N 1 65 HIS CA 1 65 HIS C 1 66 LYS N -46.30 16.20 -19.45 -15.78 -18.56 . . 0 "[ . 1]"
104 . 1 65 HIS C 1 66 LYS N 1 66 LYS CA 1 66 LYS C -86.70 -46.70 -86.14 -87.26 -87.92 3.50 5 0 "[ . 1]"
105 . 1 66 LYS N 1 66 LYS CA 1 66 LYS C 1 67 ASP N -42.80 -2.80 -12.98 -9.47 -14.02 0.85 7 0 "[ . 1]"
106 . 1 66 LYS C 1 67 ASP N 1 67 ASP CA 1 67 ASP C -115.90 -75.90 -105.26 -109.04 -113.35 1.18 1 0 "[ . 1]"
107 . 1 67 ASP N 1 67 ASP CA 1 67 ASP C 1 68 ASP N -19.20 21.60 15.80 21.43 18.86 2.04 8 0 "[ . 1]"
108 . 1 67 ASP C 1 68 ASP N 1 68 ASP CA 1 68 ASP C -143.20 -4.50 -63.83 -53.90 -59.06 . . 0 "[ . 1]"
109 . 1 68 ASP N 1 68 ASP CA 1 68 ASP C 1 69 PRO N 59.50 -169.50 131.24 113.74 148.77 . . 0 "[ . 1]"
110 . 1 75 ASP C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -88.00 -41.20 -82.36 -91.94 -57.51 3.94 6 0 "[ . 1]"
111 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 ASN N -55.40 -15.40 -32.13 -58.20 -11.97 3.43 4 0 "[ . 1]"
112 . 1 82 THR C 1 83 ASP N 1 83 ASP CA 1 83 ASP C -132.30 -50.30 -100.16 -130.05 -132.94 0.79 8 0 "[ . 1]"
113 . 1 83 ASP N 1 83 ASP CA 1 83 ASP C 1 84 ASP N -59.30 32.90 -41.02 -60.24 10.62 0.94 2 0 "[ . 1]"
114 . 1 84 ASP C 1 85 ILE N 1 85 ILE CA 1 85 ILE C -126.00 -49.60 -105.91 -126.99 -81.22 0.99 4 0 "[ . 1]"
115 . 1 85 ILE N 1 85 ILE CA 1 85 ILE C 1 86 PRO N 99.70 160.60 129.83 142.28 135.91 2.39 6 0 "[ . 1]"
116 . 1 86 PRO C 1 87 VAL N 1 87 VAL CA 1 87 VAL C -71.80 -30.70 -65.71 -61.71 -62.07 1.70 9 0 "[ . 1]"
117 . 1 87 VAL N 1 87 VAL CA 1 87 VAL C 1 88 TRP N -66.60 -20.10 -22.51 -37.31 -15.61 4.49 4 0 "[ . 1]"
118 . 1 87 VAL C 1 88 TRP N 1 88 TRP CA 1 88 TRP C -82.30 -42.30 -62.44 -58.82 -60.78 . . 0 "[ . 1]"
119 . 1 88 TRP N 1 88 TRP CA 1 88 TRP C 1 89 ASP N -61.30 -21.30 -53.94 -60.14 -60.66 0.36 5 0 "[ . 1]"
120 . 1 88 TRP C 1 89 ASP N 1 89 ASP CA 1 89 ASP C -81.50 -41.50 -71.27 -85.14 -55.24 3.64 10 0 "[ . 1]"
121 . 1 89 ASP N 1 89 ASP CA 1 89 ASP C 1 90 GLN N -61.90 -21.90 -31.54 -35.69 -40.79 0.43 5 0 "[ . 1]"
122 . 1 89 ASP C 1 90 GLN N 1 90 GLN CA 1 90 GLN C -80.50 -40.50 -57.49 -73.03 -43.13 . . 0 "[ . 1]"
123 . 1 90 GLN N 1 90 GLN CA 1 90 GLN C 1 91 GLU N -67.50 -27.50 -41.45 -40.51 -42.82 . . 0 "[ . 1]"
124 . 1 90 GLN C 1 91 GLU N 1 91 GLU CA 1 91 GLU C -84.70 -44.70 -73.15 -67.16 -69.73 2.16 4 0 "[ . 1]"
125 . 1 91 GLU N 1 91 GLU CA 1 91 GLU C 1 92 PHE N -58.40 -18.40 -22.16 -19.54 -22.29 0.81 6 0 "[ . 1]"
126 . 1 91 GLU C 1 92 PHE N 1 92 PHE CA 1 92 PHE C -85.50 -45.50 -79.50 -66.39 -77.43 0.93 3 0 "[ . 1]"
127 . 1 92 PHE N 1 92 PHE CA 1 92 PHE C 1 93 LEU N -50.70 -10.70 -23.80 -41.03 -10.26 0.44 10 0 "[ . 1]"
128 . 1 92 PHE C 1 93 LEU N 1 93 LEU CA 1 93 LEU C -116.20 -70.40 -92.07 -92.65 -94.77 0.15 7 0 "[ . 1]"
129 . 1 93 LEU N 1 93 LEU CA 1 93 LEU C 1 94 LYS N -16.90 23.10 11.64 8.18 4.78 1.47 7 0 "[ . 1]"
130 . 1 94 LYS C 1 95 VAL N 1 95 VAL CA 1 95 VAL C -157.00 -100.90 -102.56 -134.16 -97.88 3.02 10 0 "[ . 1]"
131 . 1 95 VAL N 1 95 VAL CA 1 95 VAL C 1 96 ASP N 143.10 -176.90 161.37 141.83 -177.21 1.27 9 0 "[ . 1]"
132 . 1 96 ASP C 1 97 GLN N 1 97 GLN CA 1 97 GLN C -78.90 -38.90 -61.86 -69.17 -72.22 . . 0 "[ . 1]"
133 . 1 97 GLN N 1 97 GLN CA 1 97 GLN C 1 98 GLY N -58.30 -9.60 -22.58 -32.07 -13.54 . . 0 "[ . 1]"
134 . 1 97 GLN C 1 98 GLY N 1 98 GLY CA 1 98 GLY C -84.50 -44.50 -55.75 -57.28 -57.44 . . 0 "[ . 1]"
135 . 1 98 GLY N 1 98 GLY CA 1 98 GLY C 1 99 THR N -59.00 -19.00 -44.62 -53.45 -30.58 . . 0 "[ . 1]"
136 . 1 98 GLY C 1 99 THR N 1 99 THR CA 1 99 THR C -88.60 -48.60 -87.02 -89.72 -81.24 1.12 5 0 "[ . 1]"
137 . 1 99 THR N 1 99 THR CA 1 99 THR C 1 100 LEU N -58.80 -18.80 -39.50 -37.52 -39.10 . . 0 "[ . 1]"
138 . 1 99 THR C 1 100 LEU N 1 100 LEU CA 1 100 LEU C -83.40 -43.40 -58.30 -55.63 -58.05 . . 0 "[ . 1]"
139 . 1 100 LEU N 1 100 LEU CA 1 100 LEU C 1 101 PHE N -65.80 -25.80 -44.60 -53.31 -28.66 . . 0 "[ . 1]"
140 . 1 100 LEU C 1 101 PHE N 1 101 PHE CA 1 101 PHE C -81.90 -41.90 -60.19 -66.64 -55.20 . . 0 "[ . 1]"
141 . 1 101 PHE N 1 101 PHE CA 1 101 PHE C 1 102 GLU N -61.30 -21.30 -52.30 -45.54 -49.81 0.73 6 0 "[ . 1]"
142 . 1 101 PHE C 1 102 GLU N 1 102 GLU CA 1 102 GLU C -84.00 -44.00 -72.27 -67.71 -68.22 . . 0 "[ . 1]"
143 . 1 102 GLU N 1 102 GLU CA 1 102 GLU C 1 103 LEU N -62.10 -22.10 -21.07 -20.62 -24.46 3.42 10 0 "[ . 1]"
144 . 1 102 GLU C 1 103 LEU N 1 103 LEU CA 1 103 LEU C -87.30 -47.30 -52.51 -56.14 -47.15 0.15 10 0 "[ . 1]"
145 . 1 103 LEU N 1 103 LEU CA 1 103 LEU C 1 104 ILE N -51.70 6.10 -35.58 -26.51 -29.46 . . 0 "[ . 1]"
146 . 1 103 LEU C 1 104 ILE N 1 104 ILE CA 1 104 ILE C -120.80 -69.80 -78.21 -98.94 -69.28 0.52 8 0 "[ . 1]"
147 . 1 104 ILE N 1 104 ILE CA 1 104 ILE C 1 105 LEU N -45.60 28.20 -45.31 -44.83 -45.54 0.83 4 0 "[ . 1]"
148 . 1 104 ILE C 1 105 LEU N 1 105 LEU CA 1 105 LEU C -81.40 -41.40 -68.47 -63.90 -69.67 . . 0 "[ . 1]"
149 . 1 105 LEU N 1 105 LEU CA 1 105 LEU C 1 106 ALA N -56.60 -16.60 -46.19 -55.22 -36.66 . . 0 "[ . 1]"
150 . 1 105 LEU C 1 106 ALA N 1 106 ALA CA 1 106 ALA C -85.00 -45.00 -62.26 -70.07 -56.37 . . 0 "[ . 1]"
151 . 1 106 ALA N 1 106 ALA CA 1 106 ALA C 1 107 ALA N -60.90 -20.90 -36.79 -33.94 -36.68 . . 0 "[ . 1]"
152 . 1 106 ALA C 1 107 ALA N 1 107 ALA CA 1 107 ALA C -83.80 -43.80 -65.37 -68.04 -70.81 . . 0 "[ . 1]"
153 . 1 107 ALA N 1 107 ALA CA 1 107 ALA C 1 108 ASN N -62.80 -22.80 -30.27 -34.62 -22.15 0.65 9 0 "[ . 1]"
154 . 1 107 ALA C 1 108 ASN N 1 108 ASN CA 1 108 ASN C -85.20 -45.20 -67.08 -83.27 -57.93 . . 0 "[ . 1]"
155 . 1 108 ASN N 1 108 ASN CA 1 108 ASN C 1 109 TYR N -59.30 -19.30 -31.38 -38.55 -52.90 . . 0 "[ . 1]"
156 . 1 108 ASN C 1 109 TYR N 1 109 TYR CA 1 109 TYR C -91.00 -46.70 -72.79 -73.60 -76.75 . . 0 "[ . 1]"
157 . 1 109 TYR N 1 109 TYR CA 1 109 TYR C 1 110 LEU N -58.20 -18.20 -28.60 -55.28 -15.93 2.27 1 0 "[ . 1]"
158 . 1 109 TYR C 1 110 LEU N 1 110 LEU CA 1 110 LEU C -117.40 -74.80 -99.77 -113.79 -89.32 . . 0 "[ . 1]"
159 . 1 110 LEU N 1 110 LEU CA 1 110 LEU C 1 111 ASP N -24.30 24.40 -1.29 2.09 0.44 . . 0 "[ . 1]"
160 . 1 111 ASP C 1 112 ILE N 1 112 ILE CA 1 112 ILE C -152.00 -31.10 -87.74 -79.96 -83.26 . . 0 "[ . 1]"
161 . 1 112 ILE N 1 112 ILE CA 1 112 ILE C 1 113 LYS N 80.60 -178.50 81.47 84.92 81.61 2.55 5 0 "[ . 1]"
162 . 1 112 ILE C 1 113 LYS N 1 113 LYS CA 1 113 LYS C -79.40 -39.40 -73.96 -81.61 -62.43 2.21 5 0 "[ . 1]"
163 . 1 113 LYS N 1 113 LYS CA 1 113 LYS C 1 114 GLY N -52.70 -0.20 -12.30 -7.79 -18.32 0.31 10 0 "[ . 1]"
164 . 1 113 LYS C 1 114 GLY N 1 114 GLY CA 1 114 GLY C -85.30 -45.30 -63.65 -74.88 -54.39 . . 0 "[ . 1]"
165 . 1 114 GLY N 1 114 GLY CA 1 114 GLY C 1 115 LEU N -62.20 -22.20 -46.06 -60.64 -22.06 0.14 9 0 "[ . 1]"
166 . 1 114 GLY C 1 115 LEU N 1 115 LEU CA 1 115 LEU C -89.20 -49.20 -67.06 -84.04 -59.47 . . 0 "[ . 1]"
167 . 1 115 LEU N 1 115 LEU CA 1 115 LEU C 1 116 LEU N -55.80 -15.80 -39.40 -36.33 -39.61 . . 0 "[ . 1]"
168 . 1 115 LEU C 1 116 LEU N 1 116 LEU CA 1 116 LEU C -84.90 -44.90 -59.15 -56.97 -57.02 . . 0 "[ . 1]"
169 . 1 116 LEU N 1 116 LEU CA 1 116 LEU C 1 117 ASP N -62.30 -22.30 -48.65 -59.40 -32.68 . . 0 "[ . 1]"
170 . 1 116 LEU C 1 117 ASP N 1 117 ASP CA 1 117 ASP C -82.60 -42.60 -67.67 -79.27 -57.43 . . 0 "[ . 1]"
171 . 1 117 ASP N 1 117 ASP CA 1 117 ASP C 1 118 VAL N -65.10 -25.10 -42.52 -41.54 -43.15 1.23 9 0 "[ . 1]"
172 . 1 117 ASP C 1 118 VAL N 1 118 VAL CA 1 118 VAL C -82.20 -42.20 -61.77 -73.34 -57.41 . . 0 "[ . 1]"
173 . 1 118 VAL N 1 118 VAL CA 1 118 VAL C 1 119 THR N -56.60 -16.60 -47.49 -45.38 -46.22 . . 0 "[ . 1]"
174 . 1 118 VAL C 1 119 THR N 1 119 THR CA 1 119 THR C -82.60 -42.60 -68.03 -68.53 -71.02 . . 0 "[ . 1]"
175 . 1 119 THR N 1 119 THR CA 1 119 THR C 1 120 CYS N -30.90 9.10 -32.02 -33.20 -31.20 2.30 2 0 "[ . 1]"
176 . 1 119 THR C 1 120 CYS N 1 120 CYS CA 1 120 CYS C -84.90 -44.90 -69.88 -65.89 -66.73 . . 0 "[ . 1]"
177 . 1 120 CYS N 1 120 CYS CA 1 120 CYS C 1 121 LYS N -61.10 -21.10 -39.02 -40.37 -41.38 1.26 10 0 "[ . 1]"
178 . 1 123 VAL C 1 124 ALA N 1 124 ALA CA 1 124 ALA C -81.40 -41.40 -76.27 -71.40 -76.23 0.45 7 0 "[ . 1]"
179 . 1 124 ALA N 1 124 ALA CA 1 124 ALA C 1 125 ASN N -57.40 -14.70 -16.83 -31.46 -11.11 3.59 4 0 "[ . 1]"
180 . 1 124 ALA C 1 125 ASN N 1 125 ASN CA 1 125 ASN C -85.50 -45.50 -63.07 -83.55 -44.54 0.96 4 0 "[ . 1]"
181 . 1 125 ASN N 1 125 ASN CA 1 125 ASN C 1 126 MET N -61.10 -21.10 -25.27 -32.86 -36.01 2.85 10 0 "[ . 1]"
182 . 1 125 ASN C 1 126 MET N 1 126 MET CA 1 126 MET C -87.40 -47.40 -62.19 -72.79 -52.45 . . 0 "[ . 1]"
183 . 1 126 MET N 1 126 MET CA 1 126 MET C 1 127 ILE N -63.40 -23.00 -37.70 -50.15 -23.08 . . 0 "[ . 1]"
184 . 1 126 MET C 1 127 ILE N 1 127 ILE CA 1 127 ILE C -81.40 -41.40 -81.05 -66.96 -76.89 3.50 4 0 "[ . 1]"
185 . 1 128 LYS N 1 128 LYS CA 1 128 LYS C 1 129 GLY N -40.50 30.90 -25.32 -41.75 17.06 1.25 10 0 "[ . 1]"
186 . 1 128 LYS C 1 129 GLY N 1 129 GLY CA 1 129 GLY C 56.20 102.60 80.87 82.47 75.12 1.38 10 0 "[ . 1]"
187 . 1 129 GLY N 1 129 GLY CA 1 129 GLY C 1 130 LYS N -36.00 58.60 12.48 -23.37 38.58 . . 0 "[ . 1]"
188 . 1 133 GLU C 1 134 GLU N 1 134 GLU CA 1 134 GLU C -103.70 -54.80 -76.13 -86.53 -64.33 . . 0 "[ . 1]"
189 . 1 134 GLU N 1 134 GLU CA 1 134 GLU C 1 135 ILE N -40.30 12.90 -30.41 -42.51 -10.83 2.21 6 0 "[ . 1]"
190 . 1 134 GLU C 1 135 ILE N 1 135 ILE CA 1 135 ILE C -137.30 -74.00 -90.21 -132.72 -73.65 0.35 3 0 "[ . 1]"
191 . 1 135 ILE N 1 135 ILE CA 1 135 ILE C 1 136 ARG N -24.10 36.80 -6.96 -25.37 25.51 1.27 2 0 "[ . 1]"
192 . 1 135 ILE C 1 136 ARG N 1 136 ARG CA 1 136 ARG C -81.70 -41.70 -72.55 -83.88 -60.76 2.18 9 0 "[ . 1]"
193 . 1 136 ARG N 1 136 ARG CA 1 136 ARG C 1 137 LYS N -57.40 -12.60 -19.55 -12.41 -18.30 2.40 9 0 "[ . 1]"
194 . 1 136 ARG C 1 137 LYS N 1 137 LYS CA 1 137 LYS C -83.40 -43.40 -64.50 -75.54 -53.60 . . 0 "[ . 1]"
195 . 1 137 LYS N 1 137 LYS CA 1 137 LYS C 1 138 THR N -60.90 -13.70 -26.35 -44.59 -7.95 5.75 7 1 "[ . + 1]"
196 . 1 137 LYS C 1 138 THR N 1 138 THR CA 1 138 THR C -91.30 -50.90 -69.39 -85.88 -52.36 . . 0 "[ . 1]"
197 . 1 138 THR N 1 138 THR CA 1 138 THR C 1 139 PHE N -53.60 -10.20 -28.84 -32.26 -33.19 0.64 5 0 "[ . 1]"
198 . 1 138 THR C 1 139 PHE N 1 139 PHE CA 1 139 PHE C -115.00 -74.80 -95.78 -103.17 -113.89 2.03 7 0 "[ . 1]"
199 . 1 139 PHE N 1 139 PHE CA 1 139 PHE C 1 140 ASN N -20.00 20.00 2.29 -23.83 22.36 3.83 10 0 "[ . 1]"
200 . 1 146 THR C 1 147 GLU N 1 147 GLU CA 1 147 GLU C -106.20 -28.00 -80.05 -107.62 -59.82 1.42 5 0 "[ . 1]"
201 . 1 147 GLU N 1 147 GLU CA 1 147 GLU C 1 148 GLU N -70.80 11.30 -15.21 12.61 -10.75 1.85 9 0 "[ . 1]"
202 . 1 147 GLU C 1 148 GLU N 1 148 GLU CA 1 148 GLU C -110.50 -36.30 -71.85 -61.89 -80.17 1.58 9 0 "[ . 1]"
203 . 1 148 GLU N 1 148 GLU CA 1 148 GLU C 1 149 GLU N -77.40 16.30 -44.00 -59.94 -73.12 3.07 1 0 "[ . 1]"
204 . 1 149 GLU C 1 150 GLU N 1 150 GLU CA 1 150 GLU C -82.60 -42.60 -74.70 -82.77 -58.92 0.17 6 0 "[ . 1]"
205 . 1 150 GLU N 1 150 GLU CA 1 150 GLU C 1 151 ALA N -60.10 -20.10 -33.09 -62.88 -18.41 2.78 7 0 "[ . 1]"
206 . 1 150 GLU C 1 151 ALA N 1 151 ALA CA 1 151 ALA C -84.80 -44.80 -73.86 -88.74 -51.06 3.94 7 0 "[ . 1]"
207 . 1 151 ALA N 1 151 ALA CA 1 151 ALA C 1 152 GLN N -58.60 -15.80 -36.18 -36.68 -40.49 1.85 9 0 "[ . 1]"
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