NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
544217 |
2lht   |
17865 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lht
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 186
_TA_constraint_stats_list.Viol_count 880
_TA_constraint_stats_list.Viol_total 33497.32
_TA_constraint_stats_list.Viol_max 12.55
_TA_constraint_stats_list.Viol_rms 1.32
_TA_constraint_stats_list.Viol_average_all_restraints 0.45
_TA_constraint_stats_list.Viol_average_violations_only 1.90
_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 3 VAL C 1 4 PHE N 1 4 PHE CA 1 4 PHE C 122.40 28.70 -106.11 -170.90 35.98 7.28 14 1 "[ . 1 +. 2]"
2 . 1 4 PHE N 1 4 PHE CA 1 4 PHE C 1 5 ASP N 104.90 -160.70 145.83 138.70 124.25 1.35 16 0 "[ . 1 . 2]"
3 . 1 4 PHE C 1 5 ASP N 1 5 ASP CA 1 5 ASP C -107.70 -54.50 -72.50 -107.57 -53.61 0.89 10 0 "[ . 1 . 2]"
4 . 1 5 ASP N 1 5 ASP CA 1 5 ASP C 1 6 PRO N 121.50 173.50 134.81 139.08 134.65 0.65 19 0 "[ . 1 . 2]"
5 . 1 14 GLY C 1 15 LYS N 1 15 LYS CA 1 15 LYS C -138.10 -57.90 -126.53 -128.45 -133.50 3.73 11 0 "[ . 1 . 2]"
6 . 1 15 LYS N 1 15 LYS CA 1 15 LYS C 1 16 PRO N 65.20 176.00 160.62 165.46 161.23 . . 0 "[ . 1 . 2]"
7 . 1 16 PRO C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -146.30 -56.60 -83.52 -65.20 -67.44 2.24 7 0 "[ . 1 . 2]"
8 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 ASP N 92.80 157.50 115.17 116.42 111.92 . . 0 "[ . 1 . 2]"
9 . 1 17 LEU C 1 18 ASP N 1 18 ASP CA 1 18 ASP C -144.80 -52.10 -138.84 -146.44 -107.33 1.64 4 0 "[ . 1 . 2]"
10 . 1 18 ASP N 1 18 ASP CA 1 18 ASP C 1 19 ALA N 130.90 -161.70 174.47 149.22 -166.79 . . 0 "[ . 1 . 2]"
11 . 1 18 ASP C 1 19 ALA N 1 19 ALA CA 1 19 ALA C -70.00 -50.00 -63.22 -57.67 -58.58 0.39 4 0 "[ . 1 . 2]"
12 . 1 19 ALA N 1 19 ALA CA 1 19 ALA C 1 20 SER N -51.30 -24.70 -25.14 -29.39 -33.27 3.34 4 0 "[ . 1 . 2]"
13 . 1 19 ALA C 1 20 SER N 1 20 SER CA 1 20 SER C -86.90 -53.80 -57.48 -64.97 -52.31 1.49 4 0 "[ . 1 . 2]"
14 . 1 20 SER N 1 20 SER CA 1 20 SER C 1 21 PHE N -46.30 -22.20 -30.78 -28.30 -29.82 0.55 3 0 "[ . 1 . 2]"
15 . 1 20 SER C 1 21 PHE N 1 21 PHE CA 1 21 PHE C -71.90 -51.90 -70.67 -73.62 -63.32 1.72 13 0 "[ . 1 . 2]"
16 . 1 21 PHE N 1 21 PHE CA 1 21 PHE C 1 22 CYS N -59.70 -29.10 -35.22 -35.64 -37.95 0.77 14 0 "[ . 1 . 2]"
17 . 1 21 PHE C 1 22 CYS N 1 22 CYS CA 1 22 CYS C -91.20 -40.10 -81.87 -92.22 -69.94 1.02 2 0 "[ . 1 . 2]"
18 . 1 22 CYS N 1 22 CYS CA 1 22 CYS C 1 23 ARG N -67.40 3.70 -4.67 4.22 1.05 1.97 2 0 "[ . 1 . 2]"
19 . 1 22 CYS C 1 23 ARG N 1 23 ARG CA 1 23 ARG C -74.20 -43.80 -64.35 -73.23 -58.48 . . 0 "[ . 1 . 2]"
20 . 1 23 ARG N 1 23 ARG CA 1 23 ARG C 1 24 THR N -57.50 -12.50 -27.73 -24.17 -28.40 1.01 2 0 "[ . 1 . 2]"
21 . 1 23 ARG C 1 24 THR N 1 24 THR CA 1 24 THR C -139.30 -37.60 -86.93 -121.08 -67.43 . . 0 "[ . 1 . 2]"
22 . 1 24 THR N 1 24 THR CA 1 24 THR C 1 25 ALA N -42.60 13.90 -4.83 14.39 2.61 1.12 18 0 "[ . 1 . 2]"
23 . 1 26 GLY C 1 27 SER N 1 27 SER CA 1 27 SER C -74.80 -54.40 -61.90 -75.06 -53.85 0.55 18 0 "[ . 1 . 2]"
24 . 1 27 SER N 1 27 SER CA 1 27 SER C 1 28 ARG N -48.00 2.20 -33.37 -36.92 -45.23 2.27 6 0 "[ . 1 . 2]"
25 . 1 27 SER C 1 28 ARG N 1 28 ARG CA 1 28 ARG C -133.30 -51.30 -96.36 -129.38 -72.48 . . 0 "[ . 1 . 2]"
26 . 1 28 ARG N 1 28 ARG CA 1 28 ARG C 1 29 GLU N -56.70 62.70 8.74 -20.02 37.22 . . 0 "[ . 1 . 2]"
27 . 1 28 ARG C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -69.20 -49.20 -65.23 -71.70 -59.05 2.50 20 0 "[ . 1 . 2]"
28 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 LYS N -64.40 -29.50 -45.83 -62.04 -31.80 . . 0 "[ . 1 . 2]"
29 . 1 29 GLU C 1 30 LYS N 1 30 LYS CA 1 30 LYS C -74.00 -54.00 -66.42 -73.56 -58.74 . . 0 "[ . 1 . 2]"
30 . 1 30 LYS N 1 30 LYS CA 1 30 LYS C 1 31 ASP N -47.80 -27.80 -36.64 -48.09 -27.26 0.54 9 0 "[ . 1 . 2]"
31 . 1 30 LYS C 1 31 ASP N 1 31 ASP CA 1 31 ASP C -83.90 -54.60 -71.94 -64.06 -67.45 0.04 4 0 "[ . 1 . 2]"
32 . 1 31 ASP N 1 31 ASP CA 1 31 ASP C 1 32 CYS N -52.00 -25.60 -42.91 -48.51 -49.41 . . 0 "[ . 1 . 2]"
33 . 1 31 ASP C 1 32 CYS N 1 32 CYS CA 1 32 CYS C -73.30 -53.30 -61.48 -69.99 -53.38 . . 0 "[ . 1 . 2]"
34 . 1 32 CYS N 1 32 CYS CA 1 32 CYS C 1 33 ARG N -54.60 -26.60 -43.88 -32.93 -34.85 2.72 10 0 "[ . 1 . 2]"
35 . 1 32 CYS C 1 33 ARG N 1 33 ARG CA 1 33 ARG C -73.50 -53.50 -60.20 -60.20 -62.81 3.64 6 0 "[ . 1 . 2]"
36 . 1 33 ARG N 1 33 ARG CA 1 33 ARG C 1 34 LYS N -52.50 -32.50 -33.44 -49.73 -27.40 5.10 3 1 "[ + . 1 . 2]"
37 . 1 33 ARG C 1 34 LYS N 1 34 LYS CA 1 34 LYS C -75.00 -55.00 -76.02 -77.17 -78.41 4.87 1 0 "[ . 1 . 2]"
38 . 1 34 LYS N 1 34 LYS CA 1 34 LYS C 1 35 ASP N -53.10 -33.10 -44.03 -55.67 -31.80 2.57 19 0 "[ . 1 . 2]"
39 . 1 34 LYS C 1 35 ASP N 1 35 ASP CA 1 35 ASP C -76.50 -56.50 -69.26 -76.03 -63.58 . . 0 "[ . 1 . 2]"
40 . 1 35 ASP N 1 35 ASP CA 1 35 ASP C 1 36 VAL N -51.60 -31.60 -40.72 -40.05 -40.25 0.29 19 0 "[ . 1 . 2]"
41 . 1 35 ASP C 1 36 VAL N 1 36 VAL CA 1 36 VAL C -75.20 -55.20 -69.92 -75.52 -61.59 0.32 9 0 "[ . 1 . 2]"
42 . 1 36 VAL N 1 36 VAL CA 1 36 VAL C 1 37 GLN N -52.30 -32.30 -36.16 -43.80 -30.41 1.89 1 0 "[ . 1 . 2]"
43 . 1 36 VAL C 1 37 GLN N 1 37 GLN CA 1 37 GLN C -80.90 -52.30 -75.23 -78.64 -79.56 2.36 11 0 "[ . 1 . 2]"
44 . 1 37 GLN N 1 37 GLN CA 1 37 GLN C 1 38 ALA N -52.00 3.30 -26.77 -27.58 -28.39 . . 0 "[ . 1 . 2]"
45 . 1 37 GLN C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -105.30 -68.50 -75.25 -69.14 -70.31 1.76 4 0 "[ . 1 . 2]"
46 . 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 CYS N -44.70 17.90 -17.35 -27.78 -31.58 . . 0 "[ . 1 . 2]"
47 . 1 38 ALA C 1 39 CYS N 1 39 CYS CA 1 39 CYS C -156.80 -50.70 -100.57 -82.11 -86.69 . . 0 "[ . 1 . 2]"
48 . 1 39 CYS N 1 39 CYS CA 1 39 CYS C 1 40 ASP N -55.80 -116.10 97.22 109.75 102.02 . . 0 "[ . 1 . 2]"
49 . 1 39 CYS C 1 40 ASP N 1 40 ASP CA 1 40 ASP C -104.70 -39.70 -74.46 -90.49 -62.81 . . 0 "[ . 1 . 2]"
50 . 1 40 ASP N 1 40 ASP CA 1 40 ASP C 1 41 LYS N -57.60 9.10 -51.66 -59.89 -41.71 2.29 19 0 "[ . 1 . 2]"
51 . 1 42 LYS C 1 43 TYR N 1 43 TYR CA 1 43 TYR C -159.70 -84.50 -134.67 -148.66 -113.51 . . 0 "[ . 1 . 2]"
52 . 1 43 TYR N 1 43 TYR CA 1 43 TYR C 1 44 ASP N 140.40 160.40 146.53 137.25 162.35 3.15 13 0 "[ . 1 . 2]"
53 . 1 43 TYR C 1 44 ASP N 1 44 ASP CA 1 44 ASP C -113.80 -72.40 -78.19 -89.98 -69.88 2.52 6 0 "[ . 1 . 2]"
54 . 1 44 ASP N 1 44 ASP CA 1 44 ASP C 1 45 ASP N 147.60 -164.20 167.07 177.52 172.15 0.02 3 0 "[ . 1 . 2]"
55 . 1 44 ASP C 1 45 ASP N 1 45 ASP CA 1 45 ASP C -78.90 -47.30 -60.67 -72.98 -47.09 0.21 7 0 "[ . 1 . 2]"
56 . 1 45 ASP N 1 45 ASP CA 1 45 ASP C 1 46 GLN N -44.80 14.20 -27.75 -29.89 -31.47 1.00 16 0 "[ . 1 . 2]"
57 . 1 45 ASP C 1 46 GLN N 1 46 GLN CA 1 46 GLN C -116.80 -73.10 -84.90 -96.06 -69.55 3.55 16 0 "[ . 1 . 2]"
58 . 1 46 GLN N 1 46 GLN CA 1 46 GLN C 1 47 GLY N -27.80 20.70 -4.24 -8.07 -10.38 0.57 14 0 "[ . 1 . 2]"
59 . 1 46 GLN C 1 47 GLY N 1 47 GLY CA 1 47 GLY C 61.80 124.20 89.80 72.72 125.02 0.82 6 0 "[ . 1 . 2]"
60 . 1 47 GLY N 1 47 GLY CA 1 47 GLY C 1 48 ARG N -23.20 45.80 16.54 -0.42 36.84 . . 0 "[ . 1 . 2]"
61 . 1 47 GLY C 1 48 ARG N 1 48 ARG CA 1 48 ARG C 159.60 31.20 -99.97 -118.05 -85.95 . . 0 "[ . 1 . 2]"
62 . 1 48 ARG N 1 48 ARG CA 1 48 ARG C 1 49 GLU N 104.40 166.90 165.39 146.70 170.09 3.19 11 0 "[ . 1 . 2]"
63 . 1 48 ARG C 1 49 GLU N 1 49 GLU CA 1 49 GLU C -131.50 -29.50 -74.38 -67.20 -69.20 . . 0 "[ . 1 . 2]"
64 . 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 THR N 99.20 164.60 136.83 117.86 152.98 . . 0 "[ . 1 . 2]"
65 . 1 50 THR C 1 51 ALA N 1 51 ALA CA 1 51 ALA C -68.00 -45.60 -60.49 -59.97 -61.03 . . 0 "[ . 1 . 2]"
66 . 1 51 ALA N 1 51 ALA CA 1 51 ALA C 1 52 CYS N -51.00 -25.30 -39.40 -51.68 -30.64 0.68 6 0 "[ . 1 . 2]"
67 . 1 51 ALA C 1 52 CYS N 1 52 CYS CA 1 52 CYS C -75.60 -55.60 -68.85 -63.29 -65.71 0.12 12 0 "[ . 1 . 2]"
68 . 1 52 CYS N 1 52 CYS CA 1 52 CYS C 1 53 ALA N -47.50 -27.50 -47.48 -47.89 -48.07 1.97 12 0 "[ . 1 . 2]"
69 . 1 52 CYS C 1 53 ALA N 1 53 ALA CA 1 53 ALA C -75.20 -55.20 -59.51 -64.83 -53.88 1.32 5 0 "[ . 1 . 2]"
70 . 1 53 ALA N 1 53 ALA CA 1 53 ALA C 1 54 LYS N -51.00 -31.00 -33.46 -28.79 -30.22 2.21 2 0 "[ . 1 . 2]"
71 . 1 53 ALA C 1 54 LYS N 1 54 LYS CA 1 54 LYS C -79.10 -49.00 -79.21 -84.24 -67.32 5.14 15 1 "[ . 1 + 2]"
72 . 1 54 LYS N 1 54 LYS CA 1 54 LYS C 1 55 GLY N -55.50 -23.50 -31.90 -52.40 -22.09 1.41 20 0 "[ . 1 . 2]"
73 . 1 54 LYS C 1 55 GLY N 1 55 GLY CA 1 55 GLY C -74.40 -54.40 -66.35 -65.41 -66.24 1.51 3 0 "[ . 1 . 2]"
74 . 1 55 GLY N 1 55 GLY CA 1 55 GLY C 1 56 ILE N -50.90 -30.90 -36.06 -51.11 -28.12 2.78 11 0 "[ . 1 . 2]"
75 . 1 55 GLY C 1 56 ILE N 1 56 ILE CA 1 56 ILE C -72.40 -52.40 -66.93 -71.81 -72.40 3.14 3 0 "[ . 1 . 2]"
76 . 1 56 ILE N 1 56 ILE CA 1 56 ILE C 1 57 ARG N -58.10 -28.30 -49.77 -47.80 -48.93 . . 0 "[ . 1 . 2]"
77 . 1 56 ILE C 1 57 ARG N 1 57 ARG CA 1 57 ARG C -71.70 -48.80 -55.47 -48.65 -51.83 2.55 19 0 "[ . 1 . 2]"
78 . 1 57 ARG N 1 57 ARG CA 1 57 ARG C 1 58 GLU N -57.10 -25.90 -36.48 -57.88 -23.61 2.29 3 0 "[ . 1 . 2]"
79 . 1 57 ARG C 1 58 GLU N 1 58 GLU CA 1 58 GLU C -91.60 -52.30 -77.84 -92.31 -60.89 0.71 8 0 "[ . 1 . 2]"
80 . 1 58 GLU N 1 58 GLU CA 1 58 GLU C 1 59 LYS N -56.40 -23.70 -37.94 -23.67 -31.38 0.09 14 0 "[ . 1 . 2]"
81 . 1 58 GLU C 1 59 LYS N 1 59 LYS CA 1 59 LYS C -85.90 -45.60 -74.66 -83.41 -84.06 1.41 15 0 "[ . 1 . 2]"
82 . 1 59 LYS N 1 59 LYS CA 1 59 LYS C 1 60 TYR N -53.90 -18.50 -42.85 -31.34 -41.48 2.46 6 0 "[ . 1 . 2]"
83 . 1 59 LYS C 1 60 TYR N 1 60 TYR CA 1 60 TYR C -125.80 -71.20 -109.21 -126.64 -84.58 0.84 5 0 "[ . 1 . 2]"
84 . 1 60 TYR N 1 60 TYR CA 1 60 TYR C 1 61 LYS N -37.10 31.10 31.60 32.81 32.45 3.79 14 0 "[ . 1 . 2]"
85 . 1 60 TYR C 1 61 LYS N 1 61 LYS CA 1 61 LYS C -126.10 -19.10 -56.27 -53.60 -57.04 . . 0 "[ . 1 . 2]"
86 . 1 61 LYS N 1 61 LYS CA 1 61 LYS C 1 62 PRO N 83.70 -178.40 139.68 114.72 157.19 . . 0 "[ . 1 . 2]"
87 . 1 62 PRO C 1 63 ALA N 1 63 ALA CA 1 63 ALA C -144.10 -50.80 -79.02 -146.46 -56.12 2.36 15 0 "[ . 1 . 2]"
88 . 1 63 ALA N 1 63 ALA CA 1 63 ALA C 1 64 VAL N 95.10 160.60 92.24 88.88 94.31 6.22 2 2 "[ + . 1 - . 2]"
89 . 1 63 ALA C 1 64 VAL N 1 64 VAL CA 1 64 VAL C -162.90 -65.90 -155.81 -167.23 -143.99 4.33 13 0 "[ . 1 . 2]"
90 . 1 64 VAL N 1 64 VAL CA 1 64 VAL C 1 65 VAL N 108.10 155.90 151.35 107.88 158.20 2.30 17 0 "[ . 1 . 2]"
91 . 1 64 VAL C 1 65 VAL N 1 65 VAL CA 1 65 VAL C -141.20 -71.50 -88.74 -81.04 -84.66 2.73 17 0 "[ . 1 . 2]"
92 . 1 65 VAL N 1 65 VAL CA 1 65 VAL C 1 66 TYR N 106.90 154.20 114.94 122.12 117.18 3.39 17 0 "[ . 1 . 2]"
93 . 1 65 VAL C 1 66 TYR N 1 66 TYR CA 1 66 TYR C -141.20 -80.10 -107.00 -100.45 -104.59 . . 0 "[ . 1 . 2]"
94 . 1 66 TYR N 1 66 TYR CA 1 66 TYR C 1 67 GLY N 106.90 -171.70 154.29 128.56 178.48 . . 0 "[ . 1 . 2]"
95 . 1 66 TYR C 1 67 GLY N 1 67 GLY CA 1 67 GLY C -116.80 -51.30 -92.90 -77.22 -82.93 0.25 4 0 "[ . 1 . 2]"
96 . 1 67 GLY N 1 67 GLY CA 1 67 GLY C 1 68 TYR N 136.20 -168.50 176.43 141.35 -168.19 0.31 10 0 "[ . 1 . 2]"
97 . 1 67 GLY C 1 68 TYR N 1 68 TYR CA 1 68 TYR C -78.20 -28.00 -66.41 -75.20 -55.23 . . 0 "[ . 1 . 2]"
98 . 1 68 TYR N 1 68 TYR CA 1 68 TYR C 1 69 ASP N -64.40 -6.40 -17.91 -16.85 -18.95 0.41 9 0 "[ . 1 . 2]"
99 . 1 68 TYR C 1 69 ASP N 1 69 ASP CA 1 69 ASP C -105.90 -67.60 -85.22 -106.24 -68.83 0.34 12 0 "[ . 1 . 2]"
100 . 1 69 ASP N 1 69 ASP CA 1 69 ASP C 1 70 GLY N -16.00 33.30 -12.11 -4.82 -12.79 2.79 10 0 "[ . 1 . 2]"
101 . 1 69 ASP C 1 70 GLY N 1 70 GLY CA 1 70 GLY C 68.00 102.60 95.32 89.14 83.30 1.56 2 0 "[ . 1 . 2]"
102 . 1 70 GLY N 1 70 GLY CA 1 70 GLY C 1 71 LYS N -17.00 37.90 2.95 -17.86 38.28 0.86 11 0 "[ . 1 . 2]"
103 . 1 70 GLY C 1 71 LYS N 1 71 LYS CA 1 71 LYS C -141.40 -59.30 -97.02 -115.19 -126.19 0.47 15 0 "[ . 1 . 2]"
104 . 1 71 LYS N 1 71 LYS CA 1 71 LYS C 1 72 PRO N 65.70 174.50 152.94 139.68 164.54 . . 0 "[ . 1 . 2]"
105 . 1 72 PRO C 1 73 LEU N 1 73 LEU CA 1 73 LEU C -145.40 -56.50 -132.73 -147.58 -80.40 2.18 16 0 "[ . 1 . 2]"
106 . 1 73 LEU N 1 73 LEU CA 1 73 LEU C 1 74 ASP N 93.90 164.80 136.22 140.58 138.87 . . 0 "[ . 1 . 2]"
107 . 1 73 LEU C 1 74 ASP N 1 74 ASP CA 1 74 ASP C -128.30 -41.70 -84.65 -94.44 -106.75 . . 0 "[ . 1 . 2]"
108 . 1 74 ASP N 1 74 ASP CA 1 74 ASP C 1 75 LEU N 78.00 176.10 122.38 72.35 177.64 5.65 2 1 "[ + . 1 . 2]"
109 . 1 75 LEU C 1 76 GLY N 1 76 GLY CA 1 76 GLY C -75.50 -51.50 -56.57 -76.16 -50.79 0.71 16 0 "[ . 1 . 2]"
110 . 1 76 GLY N 1 76 GLY CA 1 76 GLY C 1 77 PHE N -49.60 -14.40 -39.19 -37.58 -43.39 4.97 3 0 "[ . 1 . 2]"
111 . 1 76 GLY C 1 77 PHE N 1 77 PHE CA 1 77 PHE C -101.30 -55.70 -94.90 -104.48 -74.35 3.18 16 0 "[ . 1 . 2]"
112 . 1 77 PHE N 1 77 PHE CA 1 77 PHE C 1 78 CYS N -37.90 16.30 -6.47 -35.18 9.50 . . 0 "[ . 1 . 2]"
113 . 1 77 PHE C 1 78 CYS N 1 78 CYS CA 1 78 CYS C -112.70 -42.80 -104.93 -101.80 -106.51 1.90 11 0 "[ . 1 . 2]"
114 . 1 78 CYS N 1 78 CYS CA 1 78 CYS C 1 79 THR N -64.30 41.90 -16.88 -17.04 -19.65 . . 0 "[ . 1 . 2]"
115 . 1 78 CYS C 1 79 THR N 1 79 THR CA 1 79 THR C -82.70 -42.70 -66.62 -69.14 -70.46 0.64 19 0 "[ . 1 . 2]"
116 . 1 79 THR N 1 79 THR CA 1 79 THR C 1 80 LEU N -65.90 8.30 -19.69 -53.15 0.90 . . 0 "[ . 1 . 2]"
117 . 1 79 THR C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -82.90 -58.60 -75.26 -85.75 -64.43 2.85 17 0 "[ . 1 . 2]"
118 . 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 ALA N -39.60 3.20 -13.34 -3.62 -7.56 0.32 19 0 "[ . 1 . 2]"
119 . 1 82 GLY C 1 83 ILE N 1 83 ILE CA 1 83 ILE C -79.70 -42.20 -66.16 -80.62 -46.77 0.92 16 0 "[ . 1 . 2]"
120 . 1 83 ILE N 1 83 ILE CA 1 83 ILE C 1 84 ARG N -52.90 -30.00 -34.78 -33.96 -40.67 3.28 8 0 "[ . 1 . 2]"
121 . 1 83 ILE C 1 84 ARG N 1 84 ARG CA 1 84 ARG C -110.50 -55.80 -76.71 -98.77 -59.75 . . 0 "[ . 1 . 2]"
122 . 1 84 ARG N 1 84 ARG CA 1 84 ARG C 1 85 GLU N -59.60 1.10 -6.23 1.21 -2.50 2.83 3 0 "[ . 1 . 2]"
123 . 1 84 ARG C 1 85 GLU N 1 85 GLU CA 1 85 GLU C -73.90 -48.60 -61.75 -74.76 -49.40 0.86 7 0 "[ . 1 . 2]"
124 . 1 85 GLU N 1 85 GLU CA 1 85 GLU C 1 86 VAL N -58.40 -33.60 -38.74 -52.48 -28.96 4.64 3 0 "[ . 1 . 2]"
125 . 1 85 GLU C 1 86 VAL N 1 86 VAL CA 1 86 VAL C -72.70 -49.00 -58.84 -58.83 -60.43 1.28 11 0 "[ . 1 . 2]"
126 . 1 86 VAL N 1 86 VAL CA 1 86 VAL C 1 87 ASP N -53.10 -27.70 -46.41 -54.98 -32.15 1.88 2 0 "[ . 1 . 2]"
127 . 1 86 VAL C 1 87 ASP N 1 87 ASP CA 1 87 ASP C -73.90 -53.90 -72.09 -73.40 -74.17 2.14 14 0 "[ . 1 . 2]"
128 . 1 87 ASP N 1 87 ASP CA 1 87 ASP C 1 88 CYS N -51.00 -31.00 -42.18 -44.30 -47.83 6.13 7 2 "[ . + 1 . - 2]"
129 . 1 87 ASP C 1 88 CYS N 1 88 CYS CA 1 88 CYS C -74.80 -54.80 -53.94 -54.60 -58.41 4.06 9 0 "[ . 1 . 2]"
130 . 1 88 CYS N 1 88 CYS CA 1 88 CYS C 1 89 ARG N -51.60 -31.60 -36.92 -48.63 -30.25 1.35 3 0 "[ . 1 . 2]"
131 . 1 88 CYS C 1 89 ARG N 1 89 ARG CA 1 89 ARG C -71.50 -50.90 -62.73 -59.43 -59.47 1.65 18 0 "[ . 1 . 2]"
132 . 1 89 ARG N 1 89 ARG CA 1 89 ARG C 1 90 LYS N -51.70 -31.70 -35.05 -45.42 -28.70 3.00 9 0 "[ . 1 . 2]"
133 . 1 89 ARG C 1 90 LYS N 1 90 LYS CA 1 90 LYS C -73.70 -53.70 -74.70 -78.72 -63.05 5.02 3 1 "[ + . 1 . 2]"
134 . 1 90 LYS N 1 90 LYS CA 1 90 LYS C 1 91 ASP N -52.00 -32.00 -48.63 -47.55 -49.90 4.69 10 0 "[ . 1 . 2]"
135 . 1 90 LYS C 1 91 ASP N 1 91 ASP CA 1 91 ASP C -77.00 -54.30 -78.01 -82.09 -68.16 5.09 13 1 "[ . 1 + . 2]"
136 . 1 91 ASP N 1 91 ASP CA 1 91 ASP C 1 92 ALA N -59.70 -18.20 -32.70 -56.22 -16.12 2.08 1 0 "[ . 1 . 2]"
137 . 1 91 ASP C 1 92 ALA N 1 92 ALA CA 1 92 ALA C -72.80 -52.80 -55.71 -62.18 -51.00 1.80 19 0 "[ . 1 . 2]"
138 . 1 92 ALA N 1 92 ALA CA 1 92 ALA C 1 93 GLN N -50.20 -30.20 -41.50 -31.77 -38.96 1.08 6 0 "[ . 1 . 2]"
139 . 1 92 ALA C 1 93 GLN N 1 93 GLN CA 1 93 GLN C -77.70 -53.70 -66.77 -72.46 -75.28 1.74 10 0 "[ . 1 . 2]"
140 . 1 93 GLN N 1 93 GLN CA 1 93 GLN C 1 94 THR N -57.30 -12.20 -13.91 -29.57 -10.21 1.99 11 0 "[ . 1 . 2]"
141 . 1 93 GLN C 1 94 THR N 1 94 THR CA 1 94 THR C -105.10 -39.80 -72.60 -63.02 -67.46 . . 0 "[ . 1 . 2]"
142 . 1 94 THR N 1 94 THR CA 1 94 THR C 1 95 CYS N -62.10 -15.00 -20.98 -28.78 -30.64 1.71 17 0 "[ . 1 . 2]"
143 . 1 94 THR C 1 95 CYS N 1 95 CYS CA 1 95 CYS C -115.20 -41.40 -78.61 -70.15 -72.21 . . 0 "[ . 1 . 2]"
144 . 1 95 CYS N 1 95 CYS CA 1 95 CYS C 1 96 ASP N -75.10 40.90 41.10 43.52 42.82 5.40 14 1 "[ . 1 +. 2]"
145 . 1 95 CYS C 1 96 ASP N 1 96 ASP CA 1 96 ASP C -81.90 -46.30 -66.75 -75.30 -80.12 0.55 12 0 "[ . 1 . 2]"
146 . 1 96 ASP N 1 96 ASP CA 1 96 ASP C 1 97 LYS N -53.90 -17.30 -61.14 -66.05 -56.13 12.15 19 16 "[ ***** *** -*****+*]"
147 . 1 96 ASP C 1 97 LYS N 1 97 LYS CA 1 97 LYS C -121.20 -37.90 -128.68 -133.75 -115.75 12.55 19 17 "[-***** **** ******+2]"
148 . 1 97 LYS N 1 97 LYS CA 1 97 LYS C 1 98 LYS N -63.20 21.20 -70.99 -73.99 -67.08 10.79 18 19 "[*************** -+**]"
149 . 1 97 LYS C 1 98 LYS N 1 98 LYS CA 1 98 LYS C -126.80 -37.60 -132.72 -137.21 -128.95 10.41 18 13 "[*** * *- 1*** ** + *]"
150 . 1 98 LYS N 1 98 LYS CA 1 98 LYS C 1 99 TYR N -68.50 34.10 -60.76 -69.06 -69.33 3.77 12 0 "[ . 1 . 2]"
151 . 1 98 LYS C 1 99 TYR N 1 99 TYR CA 1 99 TYR C -89.10 -41.80 -62.00 -62.38 -66.12 . . 0 "[ . 1 . 2]"
152 . 1 99 TYR N 1 99 TYR CA 1 99 TYR C 1 100 GLU N -81.00 13.80 -50.40 -54.40 -56.22 . . 0 "[ . 1 . 2]"
153 . 1 99 TYR C 1 100 GLU N 1 100 GLU CA 1 100 GLU C -120.60 -34.00 -92.00 -121.86 -62.37 1.26 11 0 "[ . 1 . 2]"
154 . 1 100 GLU N 1 100 GLU CA 1 100 GLU C 1 101 SER N -75.90 43.40 1.14 6.81 2.74 . . 0 "[ . 1 . 2]"
155 . 1 100 GLU C 1 101 SER N 1 101 SER CA 1 101 SER C -78.40 -50.10 -66.13 -77.43 -56.49 . . 0 "[ . 1 . 2]"
156 . 1 101 SER N 1 101 SER CA 1 101 SER C 1 102 ASP N -58.10 -20.30 -43.23 -42.75 -43.90 0.19 20 0 "[ . 1 . 2]"
157 . 1 101 SER C 1 102 ASP N 1 102 ASP CA 1 102 ASP C -73.90 -53.90 -58.57 -74.13 -52.56 1.34 11 0 "[ . 1 . 2]"
158 . 1 102 ASP N 1 102 ASP CA 1 102 ASP C 1 103 LYS N -51.00 -25.50 -43.75 -31.12 -34.18 1.17 6 0 "[ . 1 . 2]"
159 . 1 102 ASP C 1 103 LYS N 1 103 LYS CA 1 103 LYS C -74.60 -53.00 -65.04 -65.67 -67.36 . . 0 "[ . 1 . 2]"
160 . 1 103 LYS N 1 103 LYS CA 1 103 LYS C 1 104 CYS N -57.50 -31.30 -37.06 -45.00 -30.78 0.52 12 0 "[ . 1 . 2]"
161 . 1 103 LYS C 1 104 CYS N 1 104 CYS CA 1 104 CYS C -77.30 -49.50 -70.62 -78.04 -62.00 0.74 10 0 "[ . 1 . 2]"
162 . 1 104 CYS N 1 104 CYS CA 1 104 CYS C 1 105 LEU N -50.60 -30.60 -40.66 -50.65 -32.51 0.05 6 0 "[ . 1 . 2]"
163 . 1 104 CYS C 1 105 LEU N 1 105 LEU CA 1 105 LEU C -75.20 -55.20 -60.76 -65.22 -55.23 . . 0 "[ . 1 . 2]"
164 . 1 105 LEU N 1 105 LEU CA 1 105 LEU C 1 106 ASN N -49.40 -29.40 -47.62 -52.26 -38.92 2.86 10 0 "[ . 1 . 2]"
165 . 1 105 LEU C 1 106 ASN N 1 106 ASN CA 1 106 ASN C -73.50 -53.50 -61.50 -72.98 -53.17 0.33 19 0 "[ . 1 . 2]"
166 . 1 106 ASN N 1 106 ASN CA 1 106 ASN C 1 107 ALA N -56.80 -26.50 -29.09 -27.89 -29.60 3.22 10 0 "[ . 1 . 2]"
167 . 1 106 ASN C 1 107 ALA N 1 107 ALA CA 1 107 ALA C -75.70 -54.50 -78.07 -80.83 -72.02 5.13 19 1 "[ . 1 . +2]"
168 . 1 107 ALA N 1 107 ALA CA 1 107 ALA C 1 108 ILE N -51.30 -27.00 -37.83 -52.33 -24.41 2.59 14 0 "[ . 1 . 2]"
169 . 1 107 ALA C 1 108 ILE N 1 108 ILE CA 1 108 ILE C -86.30 -49.20 -68.67 -54.43 -75.55 2.20 11 0 "[ . 1 . 2]"
170 . 1 108 ILE N 1 108 ILE CA 1 108 ILE C 1 109 LYS N -49.50 -29.50 -33.82 -54.25 -26.00 4.75 13 0 "[ . 1 . 2]"
171 . 1 108 ILE C 1 109 LYS N 1 109 LYS CA 1 109 LYS C -74.50 -48.80 -72.68 -79.05 -48.50 4.55 18 0 "[ . 1 . 2]"
172 . 1 109 LYS N 1 109 LYS CA 1 109 LYS C 1 110 GLU N -54.70 -27.30 -36.24 -48.64 -26.17 1.13 18 0 "[ . 1 . 2]"
173 . 1 109 LYS C 1 110 GLU N 1 110 GLU CA 1 110 GLU C -75.50 -55.50 -74.41 -70.25 -72.33 2.67 7 0 "[ . 1 . 2]"
174 . 1 110 GLU N 1 110 GLU CA 1 110 GLU C 1 111 LYS N -65.00 -10.50 -20.90 -48.20 -10.64 . . 0 "[ . 1 . 2]"
175 . 1 110 GLU C 1 111 LYS N 1 111 LYS CA 1 111 LYS C -79.00 -54.20 -69.29 -79.56 -60.09 0.56 18 0 "[ . 1 . 2]"
176 . 1 111 LYS N 1 111 LYS CA 1 111 LYS C 1 112 TYR N -52.60 -15.60 -32.59 -29.26 -29.46 . . 0 "[ . 1 . 2]"
177 . 1 111 LYS C 1 112 TYR N 1 112 TYR CA 1 112 TYR C -115.10 -73.20 -107.46 -115.99 -88.83 0.89 8 0 "[ . 1 . 2]"
178 . 1 112 TYR N 1 112 TYR CA 1 112 TYR C 1 113 LYS N -33.00 32.00 24.95 32.05 26.45 3.10 9 0 "[ . 1 . 2]"
179 . 1 112 TYR C 1 113 LYS N 1 113 LYS CA 1 113 LYS C -99.00 -34.20 -67.70 -97.10 -40.34 . . 0 "[ . 1 . 2]"
180 . 1 113 LYS N 1 113 LYS CA 1 113 LYS C 1 114 PRO N 110.30 168.50 136.86 136.01 125.23 . . 0 "[ . 1 . 2]"
181 . 1 115 VAL C 1 116 VAL N 1 116 VAL CA 1 116 VAL C -159.80 -41.10 -99.08 -141.87 -66.15 . . 0 "[ . 1 . 2]"
182 . 1 116 VAL N 1 116 VAL CA 1 116 VAL C 1 117 ASP N 97.50 -175.20 133.09 95.38 168.15 2.12 12 0 "[ . 1 . 2]"
183 . 1 116 VAL C 1 117 ASP N 1 117 ASP CA 1 117 ASP C -101.80 -51.80 -77.31 -63.84 -65.83 1.27 12 0 "[ . 1 . 2]"
184 . 1 117 ASP N 1 117 ASP CA 1 117 ASP C 1 118 PRO N 105.20 174.40 131.87 103.49 164.02 1.71 13 0 "[ . 1 . 2]"
185 . 1 118 PRO C 1 119 ASN N 1 119 ASN CA 1 119 ASN C -133.10 -46.10 -97.60 -136.30 -56.61 3.20 3 0 "[ . 1 . 2]"
186 . 1 119 ASN N 1 119 ASN CA 1 119 ASN C 1 120 PRO N 97.50 -176.80 137.39 143.14 141.98 . . 0 "[ . 1 . 2]"
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