NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
600465 |
2mzv   |
19689 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2mzv
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 226
_TA_constraint_stats_list.Viol_count 1003
_TA_constraint_stats_list.Viol_total 6070.58
_TA_constraint_stats_list.Viol_max 1.91
_TA_constraint_stats_list.Viol_rms 0.20
_TA_constraint_stats_list.Viol_average_all_restraints 0.07
_TA_constraint_stats_list.Viol_average_violations_only 0.30
_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 MET C 1 2 ALA N 1 2 ALA CA 1 2 ALA C -153.60 -24.60 -143.77 -142.47 -149.76 0.08 20 0 "[ . 1 . 2]"
2 . 1 2 ALA N 1 2 ALA CA 1 2 ALA C 1 3 THR N 116.90 175.10 138.83 116.86 168.26 0.04 2 0 "[ . 1 . 2]"
3 . 1 15 ASP C 1 16 THR N 1 16 THR CA 1 16 THR C -73.90 -50.50 -70.23 -70.88 -72.88 0.17 17 0 "[ . 1 . 2]"
4 . 1 16 THR N 1 16 THR CA 1 16 THR C 1 17 HIS N -54.50 -27.10 -28.13 -28.56 -28.95 0.27 12 0 "[ . 1 . 2]"
5 . 1 16 THR C 1 17 HIS N 1 17 HIS CA 1 17 HIS C -71.90 -51.90 -55.74 -54.83 -55.92 0.08 12 0 "[ . 1 . 2]"
6 . 1 17 HIS N 1 17 HIS CA 1 17 HIS C 1 18 SER N -54.00 -34.00 -46.90 -54.09 -33.97 0.09 16 0 "[ . 1 . 2]"
7 . 1 17 HIS C 1 18 SER N 1 18 SER CA 1 18 SER C -79.90 -51.90 -67.66 -62.54 -62.96 . . 0 "[ . 1 . 2]"
8 . 1 18 SER N 1 18 SER CA 1 18 SER C 1 19 LEU N -51.80 -24.80 -35.87 -38.87 -33.22 . . 0 "[ . 1 . 2]"
9 . 1 18 SER C 1 19 LEU N 1 19 LEU CA 1 19 LEU C -74.70 -54.70 -56.66 -57.17 -57.70 0.08 8 0 "[ . 1 . 2]"
10 . 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 ALA N -53.50 -32.50 -42.23 -47.26 -36.63 . . 0 "[ . 1 . 2]"
11 . 1 19 LEU C 1 20 ALA N 1 20 ALA CA 1 20 ALA C -71.50 -51.50 -65.65 -69.68 -71.46 0.13 13 0 "[ . 1 . 2]"
12 . 1 20 ALA N 1 20 ALA CA 1 20 ALA C 1 21 ARG N -52.10 -32.10 -34.78 -40.97 -32.00 0.10 15 0 "[ . 1 . 2]"
13 . 1 20 ALA C 1 21 ARG N 1 21 ARG CA 1 21 ARG C -78.60 -53.00 -59.58 -59.19 -59.53 . . 0 "[ . 1 . 2]"
14 . 1 21 ARG N 1 21 ARG CA 1 21 ARG C 1 22 PHE N -58.60 -19.20 -44.19 -43.34 -43.91 . . 0 "[ . 1 . 2]"
15 . 1 21 ARG C 1 22 PHE N 1 22 PHE CA 1 22 PHE C -74.00 -54.00 -62.66 -67.55 -56.99 . . 0 "[ . 1 . 2]"
16 . 1 22 PHE N 1 22 PHE CA 1 22 PHE C 1 23 ALA N -51.20 -31.20 -37.30 -32.00 -38.33 0.06 16 0 "[ . 1 . 2]"
17 . 1 22 PHE C 1 23 ALA N 1 23 ALA CA 1 23 ALA C -80.30 -50.90 -67.97 -78.86 -59.65 . . 0 "[ . 1 . 2]"
18 . 1 23 ALA N 1 23 ALA CA 1 23 ALA C 1 24 VAL N -53.90 -23.70 -53.98 -54.31 -52.35 0.41 12 0 "[ . 1 . 2]"
19 . 1 23 ALA C 1 24 VAL N 1 24 VAL CA 1 24 VAL C -72.60 -52.60 -60.48 -61.36 -62.42 . . 0 "[ . 1 . 2]"
20 . 1 24 VAL N 1 24 VAL CA 1 24 VAL C 1 25 ASP N -54.10 -32.70 -37.30 -33.56 -37.72 0.21 3 0 "[ . 1 . 2]"
21 . 1 24 VAL C 1 25 ASP N 1 25 ASP CA 1 25 ASP C -71.50 -46.10 -61.34 -59.15 -59.60 . . 0 "[ . 1 . 2]"
22 . 1 25 ASP N 1 25 ASP CA 1 25 ASP C 1 26 GLN N -55.40 -23.80 -36.59 -44.01 -23.65 0.15 4 0 "[ . 1 . 2]"
23 . 1 25 ASP C 1 26 GLN N 1 26 GLN CA 1 26 GLN C -80.70 -55.30 -69.15 -70.09 -72.31 . . 0 "[ . 1 . 2]"
24 . 1 26 GLN N 1 26 GLN CA 1 26 GLN C 1 27 HIS N -51.00 -29.40 -41.39 -41.45 -51.00 0.24 12 0 "[ . 1 . 2]"
25 . 1 26 GLN C 1 27 HIS N 1 27 HIS CA 1 27 HIS C -76.20 -52.00 -75.40 -76.70 -71.94 0.50 18 0 "[ . 1 . 2]"
26 . 1 27 HIS N 1 27 HIS CA 1 27 HIS C 1 28 ASN N -56.00 -29.80 -45.83 -52.73 -35.53 . . 0 "[ . 1 . 2]"
27 . 1 27 HIS C 1 28 ASN N 1 28 ASN CA 1 28 ASN C -73.50 -53.50 -59.87 -58.59 -60.04 . . 0 "[ . 1 . 2]"
28 . 1 28 ASN N 1 28 ASN CA 1 28 ASN C 1 29 THR N -54.10 -27.10 -37.37 -37.30 -37.72 . . 0 "[ . 1 . 2]"
29 . 1 28 ASN C 1 29 THR N 1 29 THR CA 1 29 THR C -76.80 -56.80 -77.37 -77.37 -77.41 0.77 4 0 "[ . 1 . 2]"
30 . 1 29 THR N 1 29 THR CA 1 29 THR C 1 30 LYS N -57.60 -24.60 -27.84 -29.71 -26.39 . . 0 "[ . 1 . 2]"
31 . 1 29 THR C 1 30 LYS N 1 30 LYS CA 1 30 LYS C -90.70 -49.90 -91.16 -91.19 -91.20 0.57 12 0 "[ . 1 . 2]"
32 . 1 30 LYS N 1 30 LYS CA 1 30 LYS C 1 31 GLU N -52.40 -11.60 -54.00 -53.81 -53.88 1.91 18 0 "[ . 1 . 2]"
33 . 1 30 LYS C 1 31 GLU N 1 31 GLU CA 1 31 GLU C -134.00 -62.00 -135.39 -135.81 -135.07 1.81 18 0 "[ . 1 . 2]"
34 . 1 31 GLU N 1 31 GLU CA 1 31 GLU C 1 32 ASN N -22.10 31.30 -23.05 -23.16 -23.19 1.11 1 0 "[ . 1 . 2]"
35 . 1 36 GLU C 1 37 LEU N 1 37 LEU CA 1 37 LEU C -100.70 -48.90 -78.85 -55.47 -55.77 . . 0 "[ . 1 . 2]"
36 . 1 37 LEU N 1 37 LEU CA 1 37 LEU C 1 38 VAL N 111.70 150.30 119.85 111.78 123.28 . . 0 "[ . 1 . 2]"
37 . 1 39 ARG C 1 40 VAL N 1 40 VAL CA 1 40 VAL C -131.60 -47.80 -49.38 -49.57 -49.87 . . 0 "[ . 1 . 2]"
38 . 1 40 VAL N 1 40 VAL CA 1 40 VAL C 1 41 VAL N 89.70 164.70 151.54 151.52 151.03 . . 0 "[ . 1 . 2]"
39 . 1 41 VAL C 1 42 GLU N 1 42 GLU CA 1 42 GLU C 178.30 -108.70 -155.98 -164.66 -147.65 . . 0 "[ . 1 . 2]"
40 . 1 42 GLU N 1 42 GLU CA 1 42 GLU C 1 43 ALA N 116.90 179.10 176.58 175.79 175.50 0.98 19 0 "[ . 1 . 2]"
41 . 1 42 GLU C 1 43 ALA N 1 43 ALA CA 1 43 ALA C -172.30 -109.30 -136.87 -134.88 -135.66 . . 0 "[ . 1 . 2]"
42 . 1 43 ALA N 1 43 ALA CA 1 43 ALA C 1 44 ARG N 113.50 167.10 114.05 113.24 115.91 0.26 16 0 "[ . 1 . 2]"
43 . 1 43 ALA C 1 44 ARG N 1 44 ARG CA 1 44 ARG C -153.70 -95.70 -114.45 -120.05 -108.31 . . 0 "[ . 1 . 2]"
44 . 1 44 ARG N 1 44 ARG CA 1 44 ARG C 1 45 GLU N 106.80 149.60 144.11 149.65 149.64 0.14 3 0 "[ . 1 . 2]"
45 . 1 44 ARG C 1 45 GLU N 1 45 GLU CA 1 45 GLU C -143.60 -73.80 -126.52 -139.02 -90.63 . . 0 "[ . 1 . 2]"
46 . 1 45 GLU N 1 45 GLU CA 1 45 GLU C 1 46 GLN N 106.80 171.20 158.54 151.08 163.81 . . 0 "[ . 1 . 2]"
47 . 1 45 GLU C 1 46 GLN N 1 46 GLN CA 1 46 GLN C -171.90 -81.70 -169.09 -168.76 -169.87 0.07 1 0 "[ . 1 . 2]"
48 . 1 46 GLN N 1 46 GLN CA 1 46 GLN C 1 47 VAL N 104.00 167.40 146.50 139.96 154.69 . . 0 "[ . 1 . 2]"
49 . 1 46 GLN C 1 47 VAL N 1 47 VAL CA 1 47 VAL C -110.50 -59.30 -94.79 -95.40 -95.50 . . 0 "[ . 1 . 2]"
50 . 1 47 VAL N 1 47 VAL CA 1 47 VAL C 1 48 VAL N 111.60 144.00 111.02 110.74 111.24 0.86 19 0 "[ . 1 . 2]"
51 . 1 47 VAL C 1 48 VAL N 1 48 VAL CA 1 48 VAL C -126.50 -92.70 -127.08 -127.34 -126.89 0.84 8 0 "[ . 1 . 2]"
52 . 1 48 VAL N 1 48 VAL CA 1 48 VAL C 1 49 ALA N 97.80 169.00 108.59 104.39 114.49 . . 0 "[ . 1 . 2]"
53 . 1 50 GLY C 1 51 THR N 1 51 THR CA 1 51 THR C -150.50 -66.90 -150.37 -149.35 -150.33 0.44 9 0 "[ . 1 . 2]"
54 . 1 51 THR N 1 51 THR CA 1 51 THR C 1 52 LEU N 105.50 166.50 134.52 124.60 145.97 . . 0 "[ . 1 . 2]"
55 . 1 51 THR C 1 52 LEU N 1 52 LEU CA 1 52 LEU C -137.20 -78.00 -127.27 -127.67 -130.44 . . 0 "[ . 1 . 2]"
56 . 1 52 LEU N 1 52 LEU CA 1 52 LEU C 1 53 HIS N 106.20 143.00 129.79 132.81 128.94 . . 0 "[ . 1 . 2]"
57 . 1 52 LEU C 1 53 HIS N 1 53 HIS CA 1 53 HIS C -159.50 -81.50 -111.19 -122.47 -103.33 . . 0 "[ . 1 . 2]"
58 . 1 53 HIS N 1 53 HIS CA 1 53 HIS C 1 54 HIS N 105.50 151.50 106.08 104.93 112.15 0.57 19 0 "[ . 1 . 2]"
59 . 1 53 HIS C 1 54 HIS N 1 54 HIS CA 1 54 HIS C -129.60 -90.60 -106.15 -103.62 -104.08 . . 0 "[ . 1 . 2]"
60 . 1 54 HIS N 1 54 HIS CA 1 54 HIS C 1 55 LEU N 105.00 155.60 108.68 107.09 109.56 . . 0 "[ . 1 . 2]"
61 . 1 54 HIS C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -150.90 -78.70 -120.30 -127.63 -115.75 . . 0 "[ . 1 . 2]"
62 . 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 VAL N 107.20 160.40 134.29 126.21 148.08 . . 0 "[ . 1 . 2]"
63 . 1 55 LEU C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -138.60 -80.40 -117.09 -120.33 -132.64 . . 0 "[ . 1 . 2]"
64 . 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 LEU N 110.10 147.10 134.74 131.02 141.18 . . 0 "[ . 1 . 2]"
65 . 1 56 VAL C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -149.40 -63.00 -146.61 -145.48 -147.04 0.48 13 0 "[ . 1 . 2]"
66 . 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 GLU N 99.60 167.80 155.78 155.74 155.42 . . 0 "[ . 1 . 2]"
67 . 1 57 LEU C 1 58 GLU N 1 58 GLU CA 1 58 GLU C -153.60 -80.80 -85.59 -87.94 -81.83 . . 0 "[ . 1 . 2]"
68 . 1 58 GLU N 1 58 GLU CA 1 58 GLU C 1 59 VAL N 111.50 155.50 114.15 114.03 113.82 . . 0 "[ . 1 . 2]"
69 . 1 58 GLU C 1 59 VAL N 1 59 VAL CA 1 59 VAL C -158.70 -107.90 -113.83 -116.28 -110.31 . . 0 "[ . 1 . 2]"
70 . 1 59 VAL N 1 59 VAL CA 1 59 VAL C 1 60 LEU N 129.40 177.60 162.49 156.30 171.96 . . 0 "[ . 1 . 2]"
71 . 1 59 VAL C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -137.90 -102.70 -109.31 -116.02 -104.24 . . 0 "[ . 1 . 2]"
72 . 1 60 LEU N 1 60 LEU CA 1 60 LEU C 1 61 ASP N 113.60 153.20 118.60 116.46 120.68 . . 0 "[ . 1 . 2]"
73 . 1 60 LEU C 1 61 ASP N 1 61 ASP CA 1 61 ASP C -154.80 -73.40 -107.22 -108.59 -108.94 . . 0 "[ . 1 . 2]"
74 . 1 61 ASP N 1 61 ASP CA 1 61 ASP C 1 62 ALA N 102.80 138.00 107.19 107.92 107.38 . . 0 "[ . 1 . 2]"
75 . 1 63 GLY C 1 64 LYS N 1 64 LYS CA 1 64 LYS C -131.50 -83.70 -130.74 -129.77 -131.52 0.37 17 0 "[ . 1 . 2]"
76 . 1 64 LYS N 1 64 LYS CA 1 64 LYS C 1 65 LYS N 119.40 175.40 120.91 123.12 121.43 0.20 17 0 "[ . 1 . 2]"
77 . 1 64 LYS C 1 65 LYS N 1 65 LYS CA 1 65 LYS C -118.20 -67.80 -69.62 -78.30 -67.52 0.28 1 0 "[ . 1 . 2]"
78 . 1 65 LYS N 1 65 LYS CA 1 65 LYS C 1 66 LYS N 116.60 157.60 137.00 116.40 147.26 0.20 14 0 "[ . 1 . 2]"
79 . 1 65 LYS C 1 66 LYS N 1 66 LYS CA 1 66 LYS C -166.40 -92.20 -162.17 -152.87 -167.02 0.76 8 0 "[ . 1 . 2]"
80 . 1 66 LYS N 1 66 LYS CA 1 66 LYS C 1 67 LEU N 118.80 179.00 141.97 138.12 147.42 . . 0 "[ . 1 . 2]"
81 . 1 66 LYS C 1 67 LEU N 1 67 LEU CA 1 67 LEU C -147.20 -76.20 -85.69 -92.64 -82.35 . . 0 "[ . 1 . 2]"
82 . 1 67 LEU N 1 67 LEU CA 1 67 LEU C 1 68 TYR N 111.90 157.10 132.75 134.60 130.46 . . 0 "[ . 1 . 2]"
83 . 1 67 LEU C 1 68 TYR N 1 68 TYR CA 1 68 TYR C -154.60 -103.40 -126.72 -137.16 -119.79 . . 0 "[ . 1 . 2]"
84 . 1 68 TYR N 1 68 TYR CA 1 68 TYR C 1 69 GLU N 122.70 176.90 148.29 150.46 148.95 . . 0 "[ . 1 . 2]"
85 . 1 68 TYR C 1 69 GLU N 1 69 GLU CA 1 69 GLU C -154.90 -97.50 -112.46 -113.52 -114.09 . . 0 "[ . 1 . 2]"
86 . 1 69 GLU N 1 69 GLU CA 1 69 GLU C 1 70 ALA N 102.00 171.20 131.48 115.13 143.93 . . 0 "[ . 1 . 2]"
87 . 1 69 GLU C 1 70 ALA N 1 70 ALA CA 1 70 ALA C -147.40 -102.20 -115.33 -120.24 -122.35 0.23 20 0 "[ . 1 . 2]"
88 . 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1 71 LYS N 120.50 167.90 135.25 135.33 134.62 . . 0 "[ . 1 . 2]"
89 . 1 70 ALA C 1 71 LYS N 1 71 LYS CA 1 71 LYS C -144.90 -92.70 -113.91 -116.77 -110.51 . . 0 "[ . 1 . 2]"
90 . 1 71 LYS N 1 71 LYS CA 1 71 LYS C 1 72 ILE N 104.80 146.60 130.61 128.14 132.71 . . 0 "[ . 1 . 2]"
91 . 1 71 LYS C 1 72 ILE N 1 72 ILE CA 1 72 ILE C -143.10 -104.50 -118.76 -115.66 -116.81 . . 0 "[ . 1 . 2]"
92 . 1 72 ILE N 1 72 ILE CA 1 72 ILE C 1 73 TRP N 116.20 145.60 126.63 121.05 131.10 . . 0 "[ . 1 . 2]"
93 . 1 72 ILE C 1 73 TRP N 1 73 TRP CA 1 73 TRP C -140.40 -96.40 -96.44 -95.84 -95.91 0.67 15 0 "[ . 1 . 2]"
94 . 1 73 TRP N 1 73 TRP CA 1 73 TRP C 1 74 VAL N 105.80 149.40 119.96 126.17 124.65 . . 0 "[ . 1 . 2]"
95 . 1 73 TRP C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -129.60 -104.60 -128.44 -127.31 -129.53 0.64 18 0 "[ . 1 . 2]"
96 . 1 74 VAL N 1 74 VAL CA 1 74 VAL C 1 75 LYS N 111.50 164.10 148.66 163.32 156.10 . . 0 "[ . 1 . 2]"
97 . 1 74 VAL C 1 75 LYS N 1 75 LYS CA 1 75 LYS C -167.10 -76.90 -117.58 -107.33 -117.43 0.10 15 0 "[ . 1 . 2]"
98 . 1 75 LYS N 1 75 LYS CA 1 75 LYS C 1 76 PRO N 57.50 -174.50 140.67 91.88 154.12 . . 0 "[ . 1 . 2]"
99 . 1 80 PHE C 1 81 LYS N 1 81 LYS CA 1 81 LYS C -140.90 -83.50 -83.60 -83.52 -83.53 0.15 10 0 "[ . 1 . 2]"
100 . 1 81 LYS N 1 81 LYS CA 1 81 LYS C 1 82 GLN N 106.00 159.20 147.12 140.44 140.06 0.34 12 0 "[ . 1 . 2]"
101 . 1 81 LYS C 1 82 GLN N 1 82 GLN CA 1 82 GLN C -169.20 -84.40 -151.21 -158.16 -143.15 . . 0 "[ . 1 . 2]"
102 . 1 82 GLN N 1 82 GLN CA 1 82 GLN C 1 83 LEU N 105.00 -173.00 124.71 114.62 130.17 . . 0 "[ . 1 . 2]"
103 . 1 82 GLN C 1 83 LEU N 1 83 LEU CA 1 83 LEU C -118.00 -71.20 -71.35 -71.10 -71.13 0.26 17 0 "[ . 1 . 2]"
104 . 1 83 LEU N 1 83 LEU CA 1 83 LEU C 1 84 GLN N 97.80 132.00 131.66 131.00 128.23 0.36 13 0 "[ . 1 . 2]"
105 . 1 84 GLN C 1 85 GLU N 1 85 GLU CA 1 85 GLU C 173.00 -101.20 -178.44 -177.44 -178.41 . . 0 "[ . 1 . 2]"
106 . 1 85 GLU N 1 85 GLU CA 1 85 GLU C 1 86 PHE N 124.30 163.50 163.86 163.73 163.61 0.73 19 0 "[ . 1 . 2]"
107 . 1 85 GLU C 1 86 PHE N 1 86 PHE CA 1 86 PHE C -126.10 -60.50 -121.64 -121.95 -122.92 0.22 4 0 "[ . 1 . 2]"
108 . 1 86 PHE N 1 86 PHE CA 1 86 PHE C 1 87 LYS N 106.30 148.50 148.53 148.17 144.90 0.56 3 0 "[ . 1 . 2]"
109 . 1 86 PHE C 1 87 LYS N 1 87 LYS CA 1 87 LYS C -162.00 -82.40 -121.98 -133.04 -114.32 . . 0 "[ . 1 . 2]"
110 . 1 87 LYS N 1 87 LYS CA 1 87 LYS C 1 88 HIS N 103.00 151.60 147.93 150.48 148.91 0.10 2 0 "[ . 1 . 2]"
111 . 1 113 PRO C 1 114 VAL N 1 114 VAL CA 1 114 VAL C -156.20 -90.40 -147.36 -151.20 -145.25 . . 0 "[ . 1 . 2]"
112 . 1 114 VAL N 1 114 VAL CA 1 114 VAL C 1 115 PRO N 102.40 -170.60 154.99 155.19 155.07 . . 0 "[ . 1 . 2]"
113 . 1 119 PRO C 1 120 VAL N 1 120 VAL CA 1 120 VAL C -84.10 -50.10 -84.07 -83.91 -84.04 0.17 6 0 "[ . 1 . 2]"
114 . 1 120 VAL N 1 120 VAL CA 1 120 VAL C 1 121 VAL N -57.30 -25.30 -42.24 -43.81 -45.50 . . 0 "[ . 1 . 2]"
115 . 1 120 VAL C 1 121 VAL N 1 121 VAL CA 1 121 VAL C -74.90 -52.70 -72.89 -75.04 -67.90 0.14 20 0 "[ . 1 . 2]"
116 . 1 121 VAL N 1 121 VAL CA 1 121 VAL C 1 122 GLN N -54.80 -34.80 -54.81 -54.78 -54.78 0.16 10 0 "[ . 1 . 2]"
117 . 1 121 VAL C 1 122 GLN N 1 122 GLN CA 1 122 GLN C -68.50 -48.50 -55.30 -56.43 -53.99 . . 0 "[ . 1 . 2]"
118 . 1 122 GLN N 1 122 GLN CA 1 122 GLN C 1 123 ASP N -56.70 -30.10 -32.31 -32.07 -32.40 . . 0 "[ . 1 . 2]"
119 . 1 122 GLN C 1 123 ASP N 1 123 ASP CA 1 123 ASP C -81.20 -52.40 -70.23 -72.03 -66.80 . . 0 "[ . 1 . 2]"
120 . 1 123 ASP N 1 123 ASP CA 1 123 ASP C 1 124 ALA N -60.20 -19.60 -51.67 -51.94 -52.53 . . 0 "[ . 1 . 2]"
121 . 1 123 ASP C 1 124 ALA N 1 124 ALA CA 1 124 ALA C -76.50 -54.50 -64.52 -68.61 -60.05 . . 0 "[ . 1 . 2]"
122 . 1 124 ALA N 1 124 ALA CA 1 124 ALA C 1 125 ALA N -54.00 -27.80 -41.66 -43.83 -39.79 . . 0 "[ . 1 . 2]"
123 . 1 124 ALA C 1 125 ALA N 1 125 ALA CA 1 125 ALA C -73.70 -53.70 -59.11 -59.94 -57.45 . . 0 "[ . 1 . 2]"
124 . 1 125 ALA N 1 125 ALA CA 1 125 ALA C 1 126 HIS N -59.80 -26.20 -59.95 -60.11 -59.84 0.31 11 0 "[ . 1 . 2]"
125 . 1 125 ALA C 1 126 HIS N 1 126 HIS CA 1 126 HIS C -75.30 -53.30 -54.96 -57.57 -53.24 0.06 1 0 "[ . 1 . 2]"
126 . 1 126 HIS N 1 126 HIS CA 1 126 HIS C 1 127 HIS N -49.70 -29.70 -46.25 -48.56 -40.14 . . 0 "[ . 1 . 2]"
127 . 1 126 HIS C 1 127 HIS N 1 127 HIS CA 1 127 HIS C -77.40 -52.60 -59.61 -59.70 -64.47 . . 0 "[ . 1 . 2]"
128 . 1 127 HIS N 1 127 HIS CA 1 127 HIS C 1 128 ALA N -53.20 -32.60 -36.39 -37.51 -41.16 . . 0 "[ . 1 . 2]"
129 . 1 127 HIS C 1 128 ALA N 1 128 ALA CA 1 128 ALA C -70.90 -50.90 -70.88 -71.16 -67.83 0.26 16 0 "[ . 1 . 2]"
130 . 1 128 ALA N 1 128 ALA CA 1 128 ALA C 1 129 ILE N -55.20 -31.00 -40.74 -38.87 -40.84 . . 0 "[ . 1 . 2]"
131 . 1 128 ALA C 1 129 ILE N 1 129 ILE CA 1 129 ILE C -81.60 -54.80 -54.74 -55.34 -54.55 0.25 1 0 "[ . 1 . 2]"
132 . 1 129 ILE N 1 129 ILE CA 1 129 ILE C 1 130 LYS N -51.30 -25.50 -51.26 -51.58 -49.52 0.28 7 0 "[ . 1 . 2]"
133 . 1 129 ILE C 1 130 LYS N 1 130 LYS CA 1 130 LYS C -72.40 -52.40 -71.23 -72.73 -65.33 0.33 13 0 "[ . 1 . 2]"
134 . 1 130 LYS N 1 130 LYS CA 1 130 LYS C 1 131 THR N -55.40 -20.20 -39.48 -40.04 -41.13 . . 0 "[ . 1 . 2]"
135 . 1 130 LYS C 1 131 THR N 1 131 THR CA 1 131 THR C -84.70 -47.50 -64.00 -68.51 -59.24 . . 0 "[ . 1 . 2]"
136 . 1 131 THR N 1 131 THR CA 1 131 THR C 1 132 ILE N -53.30 -28.50 -51.00 -52.21 -48.45 . . 0 "[ . 1 . 2]"
137 . 1 131 THR C 1 132 ILE N 1 132 ILE CA 1 132 ILE C -72.90 -52.90 -52.94 -54.31 -52.69 0.21 1 0 "[ . 1 . 2]"
138 . 1 132 ILE N 1 132 ILE CA 1 132 ILE C 1 133 GLN N -54.40 -32.60 -54.02 -54.48 -52.14 0.08 17 0 "[ . 1 . 2]"
139 . 1 132 ILE C 1 133 GLN N 1 133 GLN CA 1 133 GLN C -70.20 -49.60 -66.14 -67.73 -61.72 . . 0 "[ . 1 . 2]"
140 . 1 133 GLN N 1 133 GLN CA 1 133 GLN C 1 134 GLU N -55.90 -28.10 -31.41 -31.86 -32.51 . . 0 "[ . 1 . 2]"
141 . 1 133 GLN C 1 134 GLU N 1 134 GLU CA 1 134 GLU C -77.50 -53.90 -76.64 -77.56 -77.64 0.20 1 0 "[ . 1 . 2]"
142 . 1 134 GLU N 1 134 GLU CA 1 134 GLU C 1 135 ARG N -52.60 -26.40 -25.94 -25.86 -25.92 0.65 19 0 "[ . 1 . 2]"
143 . 1 134 GLU C 1 135 ARG N 1 135 ARG CA 1 135 ARG C -82.20 -59.80 -59.17 -59.45 -58.37 1.43 1 0 "[ . 1 . 2]"
144 . 1 135 ARG N 1 135 ARG CA 1 135 ARG C 1 136 SER N -43.90 -7.70 -20.87 -21.00 -21.14 . . 0 "[ . 1 . 2]"
145 . 1 135 ARG C 1 136 SER N 1 136 SER CA 1 136 SER C -114.50 -33.50 -97.32 -102.06 -86.82 . . 0 "[ . 1 . 2]"
146 . 1 136 SER N 1 136 SER CA 1 136 SER C 1 137 ASN N -58.30 10.70 -45.33 -51.44 -33.55 . . 0 "[ . 1 . 2]"
147 . 1 143 GLU C 1 144 LEU N 1 144 LEU CA 1 144 LEU C -138.50 -32.10 -59.46 -64.21 -54.86 . . 0 "[ . 1 . 2]"
148 . 1 144 LEU N 1 144 LEU CA 1 144 LEU C 1 145 SER N 80.50 170.10 129.64 129.57 126.31 . . 0 "[ . 1 . 2]"
149 . 1 145 SER C 1 146 GLU N 1 146 GLU CA 1 146 GLU C 173.90 -85.50 -152.30 -149.97 -150.59 . . 0 "[ . 1 . 2]"
150 . 1 146 GLU N 1 146 GLU CA 1 146 GLU C 1 147 VAL N 113.30 169.50 126.75 122.49 120.94 0.05 19 0 "[ . 1 . 2]"
151 . 1 146 GLU C 1 147 VAL N 1 147 VAL CA 1 147 VAL C -126.00 -62.20 -85.60 -80.24 -82.03 . . 0 "[ . 1 . 2]"
152 . 1 147 VAL N 1 147 VAL CA 1 147 VAL C 1 148 VAL N 80.70 157.50 127.08 131.45 129.06 . . 0 "[ . 1 . 2]"
153 . 1 149 HIS C 1 150 ALA N 1 150 ALA CA 1 150 ALA C -172.20 -118.20 -118.26 -120.17 -118.10 0.10 1 0 "[ . 1 . 2]"
154 . 1 150 ALA N 1 150 ALA CA 1 150 ALA C 1 151 ASN N 117.30 170.10 148.11 146.09 152.43 . . 0 "[ . 1 . 2]"
155 . 1 150 ALA C 1 151 ASN N 1 151 ASN CA 1 151 ASN C -151.60 -98.80 -145.38 -148.01 -141.87 . . 0 "[ . 1 . 2]"
156 . 1 151 ASN N 1 151 ASN CA 1 151 ASN C 1 152 ALA N 111.20 154.00 139.01 138.51 138.43 . . 0 "[ . 1 . 2]"
157 . 1 151 ASN C 1 152 ALA N 1 152 ALA CA 1 152 ALA C -165.50 -102.90 -102.52 -102.61 -102.41 0.49 20 0 "[ . 1 . 2]"
158 . 1 152 ALA N 1 152 ALA CA 1 152 ALA C 1 153 GLU N 114.90 165.10 155.71 157.68 156.29 . . 0 "[ . 1 . 2]"
159 . 1 152 ALA C 1 153 GLU N 1 153 GLU CA 1 153 GLU C -166.30 -85.90 -142.98 -149.04 -137.32 . . 0 "[ . 1 . 2]"
160 . 1 153 GLU N 1 153 GLU CA 1 153 GLU C 1 154 VAL N 103.30 152.10 148.67 150.41 148.82 0.03 6 0 "[ . 1 . 2]"
161 . 1 153 GLU C 1 154 VAL N 1 154 VAL CA 1 154 VAL C -129.50 -88.10 -101.31 -105.26 -96.14 . . 0 "[ . 1 . 2]"
162 . 1 154 VAL N 1 154 VAL CA 1 154 VAL C 1 155 VAL N 106.80 149.60 119.61 113.61 113.15 . . 0 "[ . 1 . 2]"
163 . 1 154 VAL C 1 155 VAL N 1 155 VAL CA 1 155 VAL C -138.90 -67.10 -94.11 -114.98 -85.78 . . 0 "[ . 1 . 2]"
164 . 1 155 VAL N 1 155 VAL CA 1 155 VAL C 1 156 ASP N 90.70 -178.90 -179.17 166.56 -178.33 0.57 7 0 "[ . 1 . 2]"
165 . 1 155 VAL C 1 156 ASP N 1 156 ASP CA 1 156 ASP C -72.90 -52.30 -51.74 -51.66 -51.67 0.75 20 0 "[ . 1 . 2]"
166 . 1 156 ASP N 1 156 ASP CA 1 156 ASP C 1 157 THR N -40.80 -1.00 -33.87 -36.10 -25.49 . . 0 "[ . 1 . 2]"
167 . 1 158 SER C 1 159 ALA N 1 159 ALA CA 1 159 ALA C -152.90 -80.10 -137.71 -136.54 -137.27 . . 0 "[ . 1 . 2]"
168 . 1 159 ALA N 1 159 ALA CA 1 159 ALA C 1 160 LYS N 104.30 169.50 120.26 118.84 123.64 . . 0 "[ . 1 . 2]"
169 . 1 159 ALA C 1 160 LYS N 1 160 LYS CA 1 160 LYS C -174.30 -77.90 -77.81 -77.81 -77.82 0.20 9 0 "[ . 1 . 2]"
170 . 1 160 LYS N 1 160 LYS CA 1 160 LYS C 1 161 PHE N 103.90 -176.90 155.30 152.66 158.47 . . 0 "[ . 1 . 2]"
171 . 1 160 LYS C 1 161 PHE N 1 161 PHE CA 1 161 PHE C -141.00 -103.00 -134.80 -134.67 -134.99 . . 0 "[ . 1 . 2]"
172 . 1 161 PHE N 1 161 PHE CA 1 161 PHE C 1 162 ASP N 105.80 158.60 107.33 108.29 106.75 0.15 1 0 "[ . 1 . 2]"
173 . 1 161 PHE C 1 162 ASP N 1 162 ASP CA 1 162 ASP C -146.90 -88.50 -104.84 -109.28 -101.67 . . 0 "[ . 1 . 2]"
174 . 1 162 ASP N 1 162 ASP CA 1 162 ASP C 1 163 MET N 98.50 169.10 103.38 98.47 110.54 0.03 3 0 "[ . 1 . 2]"
175 . 1 162 ASP C 1 163 MET N 1 163 MET CA 1 163 MET C -142.80 -110.00 -127.58 -132.30 -132.87 . . 0 "[ . 1 . 2]"
176 . 1 163 MET N 1 163 MET CA 1 163 MET C 1 164 LEU N 105.70 172.90 170.38 169.78 169.48 0.06 20 0 "[ . 1 . 2]"
177 . 1 163 MET C 1 164 LEU N 1 164 LEU CA 1 164 LEU C -150.80 -93.20 -147.62 -150.77 -142.77 . . 0 "[ . 1 . 2]"
178 . 1 164 LEU N 1 164 LEU CA 1 164 LEU C 1 165 LEU N 120.50 148.10 120.68 123.45 121.51 0.12 19 0 "[ . 1 . 2]"
179 . 1 164 LEU C 1 165 LEU N 1 165 LEU CA 1 165 LEU C -142.90 -90.10 -139.24 -142.40 -135.64 . . 0 "[ . 1 . 2]"
180 . 1 165 LEU N 1 165 LEU CA 1 165 LEU C 1 166 LYS N 110.20 169.40 163.93 153.30 169.43 0.03 1 0 "[ . 1 . 2]"
181 . 1 165 LEU C 1 166 LYS N 1 166 LYS CA 1 166 LYS C -145.70 -83.30 -100.38 -100.92 -102.38 . . 0 "[ . 1 . 2]"
182 . 1 166 LYS N 1 166 LYS CA 1 166 LYS C 1 167 VAL N 107.60 150.00 140.10 133.50 147.83 . . 0 "[ . 1 . 2]"
183 . 1 166 LYS C 1 167 VAL N 1 167 VAL CA 1 167 VAL C -143.20 -104.40 -107.78 -108.98 -110.94 0.01 18 0 "[ . 1 . 2]"
184 . 1 167 VAL N 1 167 VAL CA 1 167 VAL C 1 168 LYS N 111.00 169.20 142.36 134.49 153.84 . . 0 "[ . 1 . 2]"
185 . 1 167 VAL C 1 168 LYS N 1 168 LYS CA 1 168 LYS C -147.90 -89.70 -111.76 -116.22 -118.34 . . 0 "[ . 1 . 2]"
186 . 1 168 LYS N 1 168 LYS CA 1 168 LYS C 1 169 ARG N 109.20 158.40 144.82 142.75 150.66 . . 0 "[ . 1 . 2]"
187 . 1 168 LYS C 1 169 ARG N 1 169 ARG CA 1 169 ARG C -159.90 -90.70 -160.00 -160.00 -160.02 0.18 5 0 "[ . 1 . 2]"
188 . 1 169 ARG N 1 169 ARG CA 1 169 ARG C 1 170 GLY N 92.40 144.20 94.48 92.31 114.63 0.09 7 0 "[ . 1 . 2]"
189 . 1 170 GLY C 1 171 GLY N 1 171 GLY CA 1 171 GLY C 63.10 99.90 96.00 95.65 95.01 . . 0 "[ . 1 . 2]"
190 . 1 171 GLY N 1 171 GLY CA 1 171 GLY C 1 172 LYS N -23.30 26.10 25.28 25.44 25.11 0.07 14 0 "[ . 1 . 2]"
191 . 1 171 GLY C 1 172 LYS N 1 172 LYS CA 1 172 LYS C -151.40 -64.20 -102.21 -105.55 -99.35 . . 0 "[ . 1 . 2]"
192 . 1 172 LYS N 1 172 LYS CA 1 172 LYS C 1 173 GLU N 106.30 177.10 177.24 177.14 177.31 0.21 8 0 "[ . 1 . 2]"
193 . 1 172 LYS C 1 173 GLU N 1 173 GLU CA 1 173 GLU C -158.70 -66.10 -153.33 -157.92 -150.24 . . 0 "[ . 1 . 2]"
194 . 1 173 GLU N 1 173 GLU CA 1 173 GLU C 1 174 GLU N 109.80 155.80 118.21 116.34 110.24 0.06 20 0 "[ . 1 . 2]"
195 . 1 173 GLU C 1 174 GLU N 1 174 GLU CA 1 174 GLU C -167.70 -86.90 -152.55 -165.79 -137.57 . . 0 "[ . 1 . 2]"
196 . 1 174 GLU N 1 174 GLU CA 1 174 GLU C 1 175 LYS N 120.10 167.90 126.79 120.03 161.80 0.07 4 0 "[ . 1 . 2]"
197 . 1 174 GLU C 1 175 LYS N 1 175 LYS CA 1 175 LYS C -142.70 -84.90 -88.66 -88.48 -92.00 0.08 15 0 "[ . 1 . 2]"
198 . 1 175 LYS N 1 175 LYS CA 1 175 LYS C 1 176 TYR N 123.00 160.60 160.69 160.57 160.79 0.19 7 0 "[ . 1 . 2]"
199 . 1 175 LYS C 1 176 TYR N 1 176 TYR CA 1 176 TYR C -166.60 -103.00 -163.41 -165.88 -158.33 . . 0 "[ . 1 . 2]"
200 . 1 176 TYR N 1 176 TYR CA 1 176 TYR C 1 177 LYS N 112.00 174.20 149.96 144.17 158.92 . . 0 "[ . 1 . 2]"
201 . 1 176 TYR C 1 177 LYS N 1 177 LYS CA 1 177 LYS C -134.60 -81.20 -82.91 -85.99 -88.75 0.14 6 0 "[ . 1 . 2]"
202 . 1 177 LYS N 1 177 LYS CA 1 177 LYS C 1 178 VAL N 107.20 158.00 152.34 134.40 158.09 0.09 7 0 "[ . 1 . 2]"
203 . 1 177 LYS C 1 178 VAL N 1 178 VAL CA 1 178 VAL C -145.60 -121.00 -140.05 -136.62 -142.92 0.03 19 0 "[ . 1 . 2]"
204 . 1 178 VAL N 1 178 VAL CA 1 178 VAL C 1 179 GLU N 134.20 -178.60 134.95 134.20 140.63 0.00 15 0 "[ . 1 . 2]"
205 . 1 178 VAL C 1 179 GLU N 1 179 GLU CA 1 179 GLU C -150.70 -92.50 -130.60 -129.61 -129.91 . . 0 "[ . 1 . 2]"
206 . 1 179 GLU N 1 179 GLU CA 1 179 GLU C 1 180 VAL N 102.90 149.50 105.64 103.21 108.33 . . 0 "[ . 1 . 2]"
207 . 1 179 GLU C 1 180 VAL N 1 180 VAL CA 1 180 VAL C -136.50 -107.70 -123.12 -122.70 -124.02 . . 0 "[ . 1 . 2]"
208 . 1 180 VAL N 1 180 VAL CA 1 180 VAL C 1 181 HIS N 109.70 148.70 149.03 149.01 149.00 0.44 18 0 "[ . 1 . 2]"
209 . 1 180 VAL C 1 181 HIS N 1 181 HIS CA 1 181 HIS C -136.60 -100.20 -99.87 -99.91 -99.92 0.52 15 0 "[ . 1 . 2]"
210 . 1 181 HIS N 1 181 HIS CA 1 181 HIS C 1 182 LYS N 105.30 151.30 151.77 151.65 151.88 0.58 1 0 "[ . 1 . 2]"
211 . 1 181 HIS C 1 182 LYS N 1 182 LYS CA 1 182 LYS C -152.30 -89.50 -107.81 -108.97 -106.49 . . 0 "[ . 1 . 2]"
212 . 1 182 LYS N 1 182 LYS CA 1 182 LYS C 1 183 SER N 101.50 154.30 125.14 119.59 129.62 . . 0 "[ . 1 . 2]"
213 . 1 182 LYS C 1 183 SER N 1 183 SER CA 1 183 SER C -139.90 -53.30 -121.45 -129.22 -134.65 0.03 19 0 "[ . 1 . 2]"
214 . 1 183 SER N 1 183 SER CA 1 183 SER C 1 184 THR N 103.40 156.00 119.08 103.41 156.00 0.00 1 0 "[ . 1 . 2]"
215 . 1 188 GLY C 1 189 PHE N 1 189 PHE CA 1 189 PHE C -168.60 -60.40 -79.05 -72.50 -89.43 0.08 12 0 "[ . 1 . 2]"
216 . 1 189 PHE N 1 189 PHE CA 1 189 PHE C 1 190 ASN N 83.20 179.60 158.76 158.54 158.18 . . 0 "[ . 1 . 2]"
217 . 1 190 ASN C 1 191 LEU N 1 191 LEU CA 1 191 LEU C -161.40 -31.00 -50.61 -50.43 -51.05 . . 0 "[ . 1 . 2]"
218 . 1 191 LEU N 1 191 LEU CA 1 191 LEU C 1 192 LYS N 91.00 162.00 121.87 121.31 121.13 . . 0 "[ . 1 . 2]"
219 . 1 192 LYS C 1 193 LYS N 1 193 LYS CA 1 193 LYS C 167.20 -94.20 -137.16 -138.29 -140.01 . . 0 "[ . 1 . 2]"
220 . 1 193 LYS N 1 193 LYS CA 1 193 LYS C 1 194 VAL N 121.00 173.80 173.66 171.58 173.86 0.06 16 0 "[ . 1 . 2]"
221 . 1 193 LYS C 1 194 VAL N 1 194 VAL CA 1 194 VAL C -159.90 -81.90 -150.64 -155.65 -144.53 . . 0 "[ . 1 . 2]"
222 . 1 194 VAL N 1 194 VAL CA 1 194 VAL C 1 195 ASP N 112.30 153.90 146.22 143.29 153.98 0.08 1 0 "[ . 1 . 2]"
223 . 1 194 VAL C 1 195 ASP N 1 195 ASP CA 1 195 ASP C -175.20 -102.40 -135.81 -139.36 -145.61 . . 0 "[ . 1 . 2]"
224 . 1 195 ASP N 1 195 ASP CA 1 195 ASP C 1 196 LEU N 105.40 -172.00 164.43 161.69 160.56 . . 0 "[ . 1 . 2]"
225 . 1 195 ASP C 1 196 LEU N 1 196 LEU CA 1 196 LEU C -103.90 -60.90 -104.20 -104.28 -104.32 0.50 18 0 "[ . 1 . 2]"
226 . 1 196 LEU N 1 196 LEU CA 1 196 LEU C 1 197 ASP N 110.20 158.40 150.42 147.52 146.75 . . 0 "[ . 1 . 2]"
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