NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
464706 |
2kw7   |
16810 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2kw7
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 154
_TA_constraint_stats_list.Viol_count 272
_TA_constraint_stats_list.Viol_total 3649.95
_TA_constraint_stats_list.Viol_max 2.74
_TA_constraint_stats_list.Viol_rms 0.25
_TA_constraint_stats_list.Viol_average_all_restraints 0.06
_TA_constraint_stats_list.Viol_average_violations_only 0.67
_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 20 LEU C 1 21 VAL N 1 21 VAL CA 1 21 VAL C -140.60 -87.00 -108.44 -133.64 -86.00 1.00 1 0 "[ . 1 . 2]"
2 . 1 21 VAL N 1 21 VAL CA 1 21 VAL C 1 22 THR N 95.30 160.30 136.15 116.47 154.32 . . 0 "[ . 1 . 2]"
3 . 1 21 VAL C 1 22 THR N 1 22 THR CA 1 22 THR C -157.10 -69.50 -126.99 -133.07 -142.50 . . 0 "[ . 1 . 2]"
4 . 1 22 THR N 1 22 THR CA 1 22 THR C 1 23 ASP N 103.50 131.50 107.03 103.41 103.25 0.89 6 0 "[ . 1 . 2]"
5 . 1 22 THR C 1 23 ASP N 1 23 ASP CA 1 23 ASP C -123.10 -69.90 -104.20 -102.47 -103.36 0.94 12 0 "[ . 1 . 2]"
6 . 1 23 ASP N 1 23 ASP CA 1 23 ASP C 1 24 GLU N 69.50 -149.50 97.13 73.67 109.77 . . 0 "[ . 1 . 2]"
7 . 1 29 SER C 1 30 ASN N 1 30 ASN CA 1 30 ASN C -79.00 -45.20 -49.95 -58.89 -44.68 0.52 8 0 "[ . 1 . 2]"
8 . 1 30 ASN N 1 30 ASN CA 1 30 ASN C 1 31 ALA N -57.50 -22.30 -44.68 -57.73 -30.50 0.23 13 0 "[ . 1 . 2]"
9 . 1 30 ASN C 1 31 ALA N 1 31 ALA CA 1 31 ALA C -73.40 -51.40 -63.28 -73.58 -55.14 0.18 6 0 "[ . 1 . 2]"
10 . 1 31 ALA N 1 31 ALA CA 1 31 ALA C 1 32 GLN N -55.70 -32.30 -47.27 -44.32 -46.36 0.81 15 0 "[ . 1 . 2]"
11 . 1 31 ALA C 1 32 GLN N 1 32 GLN CA 1 32 GLN C -76.00 -56.00 -61.68 -73.84 -55.59 0.41 8 0 "[ . 1 . 2]"
12 . 1 32 GLN N 1 32 GLN CA 1 32 GLN C 1 33 GLU N -50.70 -30.70 -39.84 -33.52 -37.88 0.42 2 0 "[ . 1 . 2]"
13 . 1 32 GLN C 1 33 GLU N 1 33 GLU CA 1 33 GLU C -73.80 -51.80 -61.93 -62.01 -63.13 0.40 13 0 "[ . 1 . 2]"
14 . 1 33 GLU N 1 33 GLU CA 1 33 GLU C 1 34 GLU N -54.30 -29.50 -49.03 -55.92 -36.48 1.62 11 0 "[ . 1 . 2]"
15 . 1 33 GLU C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -72.90 -52.70 -59.05 -59.65 -62.00 0.66 5 0 "[ . 1 . 2]"
16 . 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 VAL N -57.40 -30.60 -45.33 -34.57 -38.87 0.18 19 0 "[ . 1 . 2]"
17 . 1 34 GLU C 1 35 VAL N 1 35 VAL CA 1 35 VAL C -82.10 -50.90 -63.28 -60.12 -61.59 0.52 5 0 "[ . 1 . 2]"
18 . 1 35 VAL N 1 35 VAL CA 1 35 VAL C 1 36 MET N -54.20 -33.80 -44.52 -53.93 -33.67 0.13 13 0 "[ . 1 . 2]"
19 . 1 35 VAL C 1 36 MET N 1 36 MET CA 1 36 MET C -72.90 -52.90 -65.46 -73.22 -60.30 0.32 7 0 "[ . 1 . 2]"
20 . 1 36 MET N 1 36 MET CA 1 36 MET C 1 37 ASN N -50.70 -29.70 -45.68 -52.12 -29.34 1.42 17 0 "[ . 1 . 2]"
21 . 1 36 MET C 1 37 ASN N 1 37 ASN CA 1 37 ASN C -77.20 -51.40 -56.82 -54.48 -56.11 0.75 2 0 "[ . 1 . 2]"
22 . 1 37 ASN N 1 37 ASN CA 1 37 ASN C 1 38 GLY N -55.80 -30.00 -46.42 -56.36 -35.76 0.56 13 0 "[ . 1 . 2]"
23 . 1 37 ASN C 1 38 GLY N 1 38 GLY CA 1 38 GLY C -75.50 -55.50 -58.92 -57.90 -58.60 0.28 16 0 "[ . 1 . 2]"
24 . 1 38 GLY N 1 38 GLY CA 1 38 GLY C 1 39 ARG N -51.60 -29.00 -42.49 -48.36 -33.15 . . 0 "[ . 1 . 2]"
25 . 1 38 GLY C 1 39 ARG N 1 39 ARG CA 1 39 ARG C -75.30 -55.30 -64.66 -58.93 -62.55 . . 0 "[ . 1 . 2]"
26 . 1 39 ARG N 1 39 ARG CA 1 39 ARG C 1 40 LEU N -54.60 -34.60 -51.05 -56.27 -34.73 1.67 12 0 "[ . 1 . 2]"
27 . 1 39 ARG C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -74.60 -51.80 -61.16 -69.57 -55.18 . . 0 "[ . 1 . 2]"
28 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 ARG N -54.10 -28.30 -45.78 -52.72 -31.23 . . 0 "[ . 1 . 2]"
29 . 1 40 LEU C 1 41 ARG N 1 41 ARG CA 1 41 ARG C -74.40 -54.40 -60.70 -58.57 -59.13 0.10 11 0 "[ . 1 . 2]"
30 . 1 41 ARG N 1 41 ARG CA 1 41 ARG C 1 42 ALA N -53.50 -33.50 -41.39 -47.08 -34.87 . . 0 "[ . 1 . 2]"
31 . 1 41 ARG C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -81.30 -51.30 -61.32 -66.05 -57.90 . . 0 "[ . 1 . 2]"
32 . 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 ILE N -64.10 -16.30 -43.74 -40.31 -42.21 . . 0 "[ . 1 . 2]"
33 . 1 42 ALA C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -76.70 -52.90 -61.32 -62.25 -64.91 . . 0 "[ . 1 . 2]"
34 . 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 ARG N -53.10 -33.10 -45.33 -51.90 -38.79 . . 0 "[ . 1 . 2]"
35 . 1 43 ILE C 1 44 ARG N 1 44 ARG CA 1 44 ARG C -80.80 -48.40 -65.19 -77.67 -50.85 . . 0 "[ . 1 . 2]"
36 . 1 44 ARG N 1 44 ARG CA 1 44 ARG C 1 45 SER N -49.20 -27.40 -30.50 -38.69 -24.95 2.45 8 0 "[ . 1 . 2]"
37 . 1 49 VAL C 1 50 GLU N 1 50 GLU CA 1 50 GLU C -132.10 -66.30 -82.70 -94.96 -73.03 . . 0 "[ . 1 . 2]"
38 . 1 50 GLU N 1 50 GLU CA 1 50 GLU C 1 51 PHE N 97.60 136.00 96.45 95.87 95.58 2.25 1 0 "[ . 1 . 2]"
39 . 1 50 GLU C 1 51 PHE N 1 51 PHE CA 1 51 PHE C -123.70 -96.10 -110.58 -119.27 -103.49 . . 0 "[ . 1 . 2]"
40 . 1 51 PHE N 1 51 PHE CA 1 51 PHE C 1 52 ALA N 92.50 142.70 104.69 108.72 107.75 . . 0 "[ . 1 . 2]"
41 . 1 51 PHE C 1 52 ALA N 1 52 ALA CA 1 52 ALA C -144.10 -103.30 -108.05 -117.70 -102.52 0.78 20 0 "[ . 1 . 2]"
42 . 1 52 ALA N 1 52 ALA CA 1 52 ALA C 1 53 VAL N 90.40 -162.20 138.00 139.70 133.99 . . 0 "[ . 1 . 2]"
43 . 1 52 ALA C 1 53 VAL N 1 53 VAL CA 1 53 VAL C -145.20 -90.00 -119.36 -128.57 -98.55 . . 0 "[ . 1 . 2]"
44 . 1 53 VAL N 1 53 VAL CA 1 53 VAL C 1 54 VAL N 108.20 148.40 123.76 132.82 128.81 0.44 19 0 "[ . 1 . 2]"
45 . 1 53 VAL C 1 54 VAL N 1 54 VAL CA 1 54 VAL C -146.00 -108.00 -122.02 -126.53 -127.64 1.45 20 0 "[ . 1 . 2]"
46 . 1 54 VAL N 1 54 VAL CA 1 54 VAL C 1 55 THR N 113.40 173.20 136.73 121.93 143.31 . . 0 "[ . 1 . 2]"
47 . 1 54 VAL C 1 55 THR N 1 55 THR CA 1 55 THR C -169.10 -93.10 -120.39 -121.04 -124.04 . . 0 "[ . 1 . 2]"
48 . 1 55 THR N 1 55 THR CA 1 55 THR C 1 56 LEU N 123.50 -174.50 123.73 120.76 130.22 2.74 5 0 "[ . 1 . 2]"
49 . 1 55 THR C 1 56 LEU N 1 56 LEU CA 1 56 LEU C 176.30 -63.90 -126.72 -131.85 -118.16 . . 0 "[ . 1 . 2]"
50 . 1 56 LEU N 1 56 LEU CA 1 56 LEU C 1 57 PRO N 51.30 -163.30 142.12 145.24 143.22 . . 0 "[ . 1 . 2]"
51 . 1 66 ASP C 1 67 PHE N 1 67 PHE CA 1 67 PHE C -76.40 -50.00 -59.20 -76.78 -52.67 0.38 15 0 "[ . 1 . 2]"
52 . 1 67 PHE N 1 67 PHE CA 1 67 PHE C 1 68 THR N -63.70 -32.10 -53.20 -53.38 -53.79 . . 0 "[ . 1 . 2]"
53 . 1 67 PHE C 1 68 THR N 1 68 THR CA 1 68 THR C -72.10 -46.50 -56.68 -53.22 -54.69 . . 0 "[ . 1 . 2]"
54 . 1 68 THR N 1 68 THR CA 1 68 THR C 1 69 LEU N -56.40 -27.80 -43.57 -52.53 -31.21 . . 0 "[ . 1 . 2]"
55 . 1 68 THR C 1 69 LEU N 1 69 LEU CA 1 69 LEU C -72.10 -52.10 -58.24 -66.71 -53.03 . . 0 "[ . 1 . 2]"
56 . 1 69 LEU N 1 69 LEU CA 1 69 LEU C 1 70 LYS N -54.40 -34.40 -51.15 -46.73 -49.15 2.66 10 0 "[ . 1 . 2]"
57 . 1 69 LEU C 1 70 LYS N 1 70 LYS CA 1 70 LYS C -71.20 -51.20 -61.12 -71.33 -51.87 0.13 8 0 "[ . 1 . 2]"
58 . 1 70 LYS N 1 70 LYS CA 1 70 LYS C 1 71 LEU N -54.00 -27.80 -43.09 -40.19 -41.86 . . 0 "[ . 1 . 2]"
59 . 1 70 LYS C 1 71 LEU N 1 71 LEU CA 1 71 LEU C -73.60 -53.60 -66.52 -74.40 -59.60 0.80 4 0 "[ . 1 . 2]"
60 . 1 71 LEU N 1 71 LEU CA 1 71 LEU C 1 72 ALA N -57.00 -37.00 -43.75 -40.76 -42.58 0.39 20 0 "[ . 1 . 2]"
61 . 1 71 LEU C 1 72 ALA N 1 72 ALA CA 1 72 ALA C -71.50 -45.70 -64.60 -63.86 -64.62 0.01 14 0 "[ . 1 . 2]"
62 . 1 72 ALA N 1 72 ALA CA 1 72 ALA C 1 73 ARG N -59.60 -25.60 -38.06 -48.19 -30.21 . . 0 "[ . 1 . 2]"
63 . 1 72 ALA C 1 73 ARG N 1 73 ARG CA 1 73 ARG C -76.00 -56.00 -63.42 -62.42 -63.26 . . 0 "[ . 1 . 2]"
64 . 1 73 ARG N 1 73 ARG CA 1 73 ARG C 1 74 GLN N -53.60 -24.20 -46.37 -54.23 -24.72 0.63 20 0 "[ . 1 . 2]"
65 . 1 73 ARG C 1 74 GLN N 1 74 GLN CA 1 74 GLN C -75.90 -55.70 -66.68 -67.06 -67.81 . . 0 "[ . 1 . 2]"
66 . 1 74 GLN N 1 74 GLN CA 1 74 GLN C 1 75 TRP N -46.30 -11.50 -29.63 -28.01 -31.21 . . 0 "[ . 1 . 2]"
67 . 1 74 GLN C 1 75 TRP N 1 75 TRP CA 1 75 TRP C -117.10 -64.70 -84.61 -103.40 -71.45 . . 0 "[ . 1 . 2]"
68 . 1 75 TRP N 1 75 TRP CA 1 75 TRP C 1 76 GLY N -15.30 25.90 -6.49 7.33 -2.27 2.13 9 0 "[ . 1 . 2]"
69 . 1 84 ASN C 1 85 GLY N 1 85 GLY CA 1 85 GLY C 138.30 -31.30 -108.17 -111.40 -136.90 . . 0 "[ . 1 . 2]"
70 . 1 85 GLY N 1 85 GLY CA 1 85 GLY C 1 86 LEU N 124.20 -151.00 136.19 123.83 150.18 0.37 11 0 "[ . 1 . 2]"
71 . 1 85 GLY C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -158.40 -121.40 -144.86 -147.26 -148.77 . . 0 "[ . 1 . 2]"
72 . 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 LEU N 120.10 146.50 123.68 118.81 134.85 1.29 14 0 "[ . 1 . 2]"
73 . 1 86 LEU C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -140.30 -79.30 -114.02 -125.65 -107.20 . . 0 "[ . 1 . 2]"
74 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 LEU N 122.40 144.80 133.09 122.25 144.29 0.15 3 0 "[ . 1 . 2]"
75 . 1 87 LEU C 1 88 LEU N 1 88 LEU CA 1 88 LEU C -155.30 -79.70 -122.32 -128.68 -129.70 . . 0 "[ . 1 . 2]"
76 . 1 88 LEU N 1 88 LEU CA 1 88 LEU C 1 89 VAL N 103.40 153.00 114.43 102.52 127.79 0.88 9 0 "[ . 1 . 2]"
77 . 1 88 LEU C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -141.30 -76.30 -116.50 -125.21 -127.00 . . 0 "[ . 1 . 2]"
78 . 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 LEU N 116.90 149.50 125.48 126.54 125.09 0.30 8 0 "[ . 1 . 2]"
79 . 1 89 VAL C 1 90 LEU N 1 90 LEU CA 1 90 LEU C -166.40 -80.60 -102.96 -110.04 -95.45 . . 0 "[ . 1 . 2]"
80 . 1 90 LEU N 1 90 LEU CA 1 90 LEU C 1 91 VAL N 101.40 157.40 123.94 114.91 134.11 . . 0 "[ . 1 . 2]"
81 . 1 90 LEU C 1 91 VAL N 1 91 VAL CA 1 91 VAL C -142.90 -65.70 -107.35 -111.82 -115.02 . . 0 "[ . 1 . 2]"
82 . 1 91 VAL N 1 91 VAL CA 1 91 VAL C 1 92 LEU N 68.70 159.90 103.14 94.15 109.70 . . 0 "[ . 1 . 2]"
83 . 1 95 ARG C 1 96 ARG N 1 96 ARG CA 1 96 ARG C 177.70 -88.10 -125.88 -112.75 -117.04 . . 0 "[ . 1 . 2]"
84 . 1 96 ARG N 1 96 ARG CA 1 96 ARG C 1 97 VAL N 141.60 -166.00 155.92 141.07 173.53 0.53 16 0 "[ . 1 . 2]"
85 . 1 96 ARG C 1 97 VAL N 1 97 VAL CA 1 97 VAL C -163.60 -111.20 -130.67 -139.27 -117.87 . . 0 "[ . 1 . 2]"
86 . 1 97 VAL N 1 97 VAL CA 1 97 VAL C 1 98 ARG N 142.50 171.10 167.69 144.66 172.43 1.33 5 0 "[ . 1 . 2]"
87 . 1 97 VAL C 1 98 ARG N 1 98 ARG CA 1 98 ARG C -159.90 -96.30 -147.36 -148.44 -148.59 0.42 13 0 "[ . 1 . 2]"
88 . 1 98 ARG N 1 98 ARG CA 1 98 ARG C 1 99 PHE N 106.30 161.10 136.66 133.16 130.97 . . 0 "[ . 1 . 2]"
89 . 1 98 ARG C 1 99 PHE N 1 99 PHE CA 1 99 PHE C -150.90 -88.90 -98.84 -96.08 -97.12 . . 0 "[ . 1 . 2]"
90 . 1 99 PHE N 1 99 PHE CA 1 99 PHE C 1 100 GLU N 102.50 160.30 122.18 102.29 153.23 0.21 16 0 "[ . 1 . 2]"
91 . 1 99 PHE C 1 100 GLU N 1 100 GLU CA 1 100 GLU C -155.50 -82.10 -108.98 -138.01 -81.87 0.23 7 0 "[ . 1 . 2]"
92 . 1 100 GLU N 1 100 GLU CA 1 100 GLU C 1 101 THR N 113.20 149.20 113.62 114.45 113.00 1.83 7 0 "[ . 1 . 2]"
93 . 1 103 TYR C 1 104 GLY N 1 104 GLY CA 1 104 GLY C -87.50 -52.70 -76.61 -88.15 -54.15 0.65 4 0 "[ . 1 . 2]"
94 . 1 104 GLY N 1 104 GLY CA 1 104 GLY C 1 105 LEU N -60.50 4.70 -26.38 -42.46 -6.96 . . 0 "[ . 1 . 2]"
95 . 1 105 LEU C 1 106 GLU N 1 106 GLU CA 1 106 GLU C -70.20 -50.20 -57.09 -54.40 -56.40 0.45 2 0 "[ . 1 . 2]"
96 . 1 106 GLU N 1 106 GLU CA 1 106 GLU C 1 107 GLY N -50.00 -2.40 -28.04 -44.05 -12.59 . . 0 "[ . 1 . 2]"
97 . 1 110 PRO C 1 111 ASP N 1 111 ASP CA 1 111 ASP C -70.00 -32.20 -50.36 -57.25 -43.38 . . 0 "[ . 1 . 2]"
98 . 1 111 ASP N 1 111 ASP CA 1 111 ASP C 1 112 GLY N -63.80 -19.80 -38.79 -48.80 -27.64 . . 0 "[ . 1 . 2]"
99 . 1 111 ASP C 1 112 GLY N 1 112 GLY CA 1 112 GLY C -79.20 -55.80 -61.22 -68.12 -57.37 . . 0 "[ . 1 . 2]"
100 . 1 112 GLY N 1 112 GLY CA 1 112 GLY C 1 113 LEU N -50.00 -23.20 -47.67 -40.62 -44.82 1.03 7 0 "[ . 1 . 2]"
101 . 1 112 GLY C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -73.40 -53.40 -61.11 -67.32 -56.12 . . 0 "[ . 1 . 2]"
102 . 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 LEU N -54.40 -30.00 -45.66 -49.69 -50.54 . . 0 "[ . 1 . 2]"
103 . 1 113 LEU C 1 114 LEU N 1 114 LEU CA 1 114 LEU C -74.30 -54.30 -58.72 -56.93 -57.52 . . 0 "[ . 1 . 2]"
104 . 1 114 LEU N 1 114 LEU CA 1 114 LEU C 1 115 SER N -52.40 -32.40 -42.36 -48.61 -36.34 . . 0 "[ . 1 . 2]"
105 . 1 114 LEU C 1 115 SER N 1 115 SER CA 1 115 SER C -73.40 -53.40 -63.10 -61.91 -62.67 . . 0 "[ . 1 . 2]"
106 . 1 115 SER N 1 115 SER CA 1 115 SER C 1 116 ARG N -48.60 -23.00 -38.44 -46.85 -32.25 . . 0 "[ . 1 . 2]"
107 . 1 115 SER C 1 116 ARG N 1 116 ARG CA 1 116 ARG C -79.50 -55.30 -60.66 -58.04 -59.12 0.14 6 0 "[ . 1 . 2]"
108 . 1 116 ARG N 1 116 ARG CA 1 116 ARG C 1 117 ILE N -58.00 -24.20 -50.34 -56.38 -37.81 . . 0 "[ . 1 . 2]"
109 . 1 116 ARG C 1 117 ILE N 1 117 ILE CA 1 117 ILE C -71.10 -51.10 -52.34 -50.82 -50.91 1.91 10 0 "[ . 1 . 2]"
110 . 1 117 ILE N 1 117 ILE CA 1 117 ILE C 1 118 ILE N -53.20 -33.20 -44.49 -51.99 -35.62 . . 0 "[ . 1 . 2]"
111 . 1 117 ILE C 1 118 ILE N 1 118 ILE CA 1 118 ILE C -76.40 -56.00 -59.38 -64.90 -55.72 0.28 15 0 "[ . 1 . 2]"
112 . 1 118 ILE N 1 118 ILE CA 1 118 ILE C 1 119 HIS N -55.30 -35.30 -52.98 -44.85 -48.46 1.81 11 0 "[ . 1 . 2]"
113 . 1 118 ILE C 1 119 HIS N 1 119 HIS CA 1 119 HIS C -83.00 -43.80 -77.71 -84.21 -69.78 1.21 11 0 "[ . 1 . 2]"
114 . 1 119 HIS N 1 119 HIS CA 1 119 HIS C 1 120 ASP N -68.80 -9.60 -25.66 -23.59 -28.25 0.43 10 0 "[ . 1 . 2]"
115 . 1 122 MET C 1 123 ILE N 1 123 ILE CA 1 123 ILE C -65.30 -33.70 -51.17 -51.77 -53.01 . . 0 "[ . 1 . 2]"
116 . 1 123 ILE N 1 123 ILE CA 1 123 ILE C 1 124 PRO N -60.10 -40.10 -52.93 -53.63 -54.47 . . 0 "[ . 1 . 2]"
117 . 1 124 PRO C 1 125 HIS N 1 125 HIS CA 1 125 HIS C -82.70 -52.30 -71.30 -77.97 -79.85 1.45 16 0 "[ . 1 . 2]"
118 . 1 125 HIS N 1 125 HIS CA 1 125 HIS C 1 126 PHE N -68.00 3.40 -48.51 -43.10 -46.54 . . 0 "[ . 1 . 2]"
119 . 1 125 HIS C 1 126 PHE N 1 126 PHE CA 1 126 PHE C -78.50 -56.70 -57.67 -61.37 -55.78 0.92 16 0 "[ . 1 . 2]"
120 . 1 126 PHE N 1 126 PHE CA 1 126 PHE C 1 127 ARG N -53.40 -22.60 -41.30 -47.49 -32.88 . . 0 "[ . 1 . 2]"
121 . 1 130 ASN C 1 131 TYR N 1 131 TYR CA 1 131 TYR C -70.40 -50.40 -66.39 -58.72 -61.63 1.14 4 0 "[ . 1 . 2]"
122 . 1 131 TYR N 1 131 TYR CA 1 131 TYR C 1 132 ALA N -60.20 -16.00 -46.16 -60.45 -32.46 0.25 2 0 "[ . 1 . 2]"
123 . 1 131 TYR C 1 132 ALA N 1 132 ALA CA 1 132 ALA C -77.90 -52.30 -63.50 -63.75 -64.87 . . 0 "[ . 1 . 2]"
124 . 1 132 ALA N 1 132 ALA CA 1 132 ALA C 1 133 GLU N -50.70 -28.50 -43.87 -37.90 -40.89 0.14 14 0 "[ . 1 . 2]"
125 . 1 132 ALA C 1 133 GLU N 1 133 GLU CA 1 133 GLU C -78.50 -52.10 -63.29 -59.82 -61.13 . . 0 "[ . 1 . 2]"
126 . 1 133 GLU N 1 133 GLU CA 1 133 GLU C 1 134 GLY N -52.70 -29.70 -43.34 -53.27 -31.60 0.57 11 0 "[ . 1 . 2]"
127 . 1 133 GLU C 1 134 GLY N 1 134 GLY CA 1 134 GLY C -74.50 -54.50 -59.09 -71.28 -53.84 0.66 17 0 "[ . 1 . 2]"
128 . 1 134 GLY N 1 134 GLY CA 1 134 GLY C 1 135 LEU N -67.60 9.60 -48.63 -47.21 -49.75 . . 0 "[ . 1 . 2]"
129 . 1 134 GLY C 1 135 LEU N 1 135 LEU CA 1 135 LEU C -76.00 -42.60 -60.01 -54.20 -56.64 . . 0 "[ . 1 . 2]"
130 . 1 135 LEU N 1 135 LEU CA 1 135 LEU C 1 136 SER N -60.40 -29.00 -44.60 -48.90 -51.65 . . 0 "[ . 1 . 2]"
131 . 1 135 LEU C 1 136 SER N 1 136 SER CA 1 136 SER C -75.40 -45.00 -58.52 -62.50 -51.77 . . 0 "[ . 1 . 2]"
132 . 1 136 SER N 1 136 SER CA 1 136 SER C 1 137 GLU N -56.60 -27.00 -48.66 -38.85 -43.88 1.38 9 0 "[ . 1 . 2]"
133 . 1 136 SER C 1 137 GLU N 1 137 GLU CA 1 137 GLU C -75.10 -55.10 -68.64 -68.64 -72.15 1.32 6 0 "[ . 1 . 2]"
134 . 1 137 GLU N 1 137 GLU CA 1 137 GLU C 1 138 GLY N -59.90 -19.90 -35.21 -51.37 -19.64 0.26 9 0 "[ . 1 . 2]"
135 . 1 137 GLU C 1 138 GLY N 1 138 GLY CA 1 138 GLY C -78.10 -54.10 -61.06 -65.13 -58.63 . . 0 "[ . 1 . 2]"
136 . 1 138 GLY N 1 138 GLY CA 1 138 GLY C 1 139 VAL N -60.40 -16.60 -49.04 -54.20 -44.80 . . 0 "[ . 1 . 2]"
137 . 1 138 GLY C 1 139 VAL N 1 139 VAL CA 1 139 VAL C -73.30 -42.30 -58.38 -61.20 -62.63 . . 0 "[ . 1 . 2]"
138 . 1 139 VAL N 1 139 VAL CA 1 139 VAL C 1 140 LEU N -59.30 -28.50 -46.85 -50.63 -39.68 . . 0 "[ . 1 . 2]"
139 . 1 139 VAL C 1 140 LEU N 1 140 LEU CA 1 140 LEU C -71.20 -49.00 -59.82 -58.45 -59.37 . . 0 "[ . 1 . 2]"
140 . 1 140 LEU N 1 140 LEU CA 1 140 LEU C 1 141 ALA N -52.70 -32.70 -39.68 -46.55 -33.99 . . 0 "[ . 1 . 2]"
141 . 1 140 LEU C 1 141 ALA N 1 141 ALA CA 1 141 ALA C -78.30 -53.10 -60.41 -59.78 -60.24 . . 0 "[ . 1 . 2]"
142 . 1 141 ALA N 1 141 ALA CA 1 141 ALA C 1 142 VAL N -58.60 -21.20 -49.33 -51.54 -51.84 . . 0 "[ . 1 . 2]"
143 . 1 141 ALA C 1 142 VAL N 1 142 VAL CA 1 142 VAL C -80.20 -51.80 -59.31 -56.33 -56.69 . . 0 "[ . 1 . 2]"
144 . 1 142 VAL N 1 142 VAL CA 1 142 VAL C 1 143 GLN N -61.20 -29.60 -48.18 -56.40 -43.37 . . 0 "[ . 1 . 2]"
145 . 1 142 VAL C 1 143 GLN N 1 143 GLN CA 1 143 GLN C -69.20 -49.20 -53.94 -53.22 -53.39 . . 0 "[ . 1 . 2]"
146 . 1 143 GLN N 1 143 GLN CA 1 143 GLN C 1 144 GLN N -56.30 -36.30 -42.83 -47.60 -51.23 0.93 8 0 "[ . 1 . 2]"
147 . 1 143 GLN C 1 144 GLN N 1 144 GLN CA 1 144 GLN C -72.70 -49.70 -61.63 -65.27 -65.59 0.19 12 0 "[ . 1 . 2]"
148 . 1 144 GLN N 1 144 GLN CA 1 144 GLN C 1 145 VAL N -51.20 -31.20 -39.17 -48.82 -29.84 1.36 11 0 "[ . 1 . 2]"
149 . 1 144 GLN C 1 145 VAL N 1 145 VAL CA 1 145 VAL C -89.90 -47.30 -62.12 -74.53 -57.15 . . 0 "[ . 1 . 2]"
150 . 1 145 VAL N 1 145 VAL CA 1 145 VAL C 1 146 LEU N -65.90 -21.70 -47.28 -46.31 -48.29 . . 0 "[ . 1 . 2]"
151 . 1 145 VAL C 1 146 LEU N 1 146 LEU CA 1 146 LEU C -70.80 -50.80 -64.46 -71.76 -53.21 0.96 11 0 "[ . 1 . 2]"
152 . 1 146 LEU N 1 146 LEU CA 1 146 LEU C 1 147 ASP N -56.30 -23.10 -50.79 -35.75 -44.26 2.00 11 0 "[ . 1 . 2]"
153 . 1 146 LEU C 1 147 ASP N 1 147 ASP CA 1 147 ASP C -79.50 -56.90 -61.10 -71.56 -55.38 1.52 12 0 "[ . 1 . 2]"
154 . 1 147 ASP N 1 147 ASP CA 1 147 ASP C 1 148 GLY N -65.30 -14.70 -30.59 -52.69 -14.30 0.40 11 0 "[ . 1 . 2]"
stop_
save_
save_distance_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 154
_TA_constraint_stats_list.Viol_count 272
_TA_constraint_stats_list.Viol_total 3649.95
_TA_constraint_stats_list.Viol_max 2.74
_TA_constraint_stats_list.Viol_rms 0.25
_TA_constraint_stats_list.Viol_average_all_restraints 0.06
_TA_constraint_stats_list.Viol_average_violations_only 0.67
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
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 20 LEU C 1 21 VAL N 1 21 VAL CA 1 21 VAL C -140.60 -87.00 -108.44 -133.64 -86.00 1.00 1 0 "[ . 1 . 2]"
2 . 1 21 VAL N 1 21 VAL CA 1 21 VAL C 1 22 THR N 95.30 160.30 136.15 116.47 154.32 . . 0 "[ . 1 . 2]"
3 . 1 21 VAL C 1 22 THR N 1 22 THR CA 1 22 THR C -157.10 -69.50 -126.99 -133.07 -142.50 . . 0 "[ . 1 . 2]"
4 . 1 22 THR N 1 22 THR CA 1 22 THR C 1 23 ASP N 103.50 131.50 107.03 103.41 103.25 0.89 6 0 "[ . 1 . 2]"
5 . 1 22 THR C 1 23 ASP N 1 23 ASP CA 1 23 ASP C -123.10 -69.90 -104.20 -102.47 -103.36 0.94 12 0 "[ . 1 . 2]"
6 . 1 23 ASP N 1 23 ASP CA 1 23 ASP C 1 24 GLU N 69.50 -149.50 97.13 73.67 109.77 . . 0 "[ . 1 . 2]"
7 . 1 29 SER C 1 30 ASN N 1 30 ASN CA 1 30 ASN C -79.00 -45.20 -49.95 -58.89 -44.68 0.52 8 0 "[ . 1 . 2]"
8 . 1 30 ASN N 1 30 ASN CA 1 30 ASN C 1 31 ALA N -57.50 -22.30 -44.68 -57.73 -30.50 0.23 13 0 "[ . 1 . 2]"
9 . 1 30 ASN C 1 31 ALA N 1 31 ALA CA 1 31 ALA C -73.40 -51.40 -63.28 -73.58 -55.14 0.18 6 0 "[ . 1 . 2]"
10 . 1 31 ALA N 1 31 ALA CA 1 31 ALA C 1 32 GLN N -55.70 -32.30 -47.27 -44.32 -46.36 0.81 15 0 "[ . 1 . 2]"
11 . 1 31 ALA C 1 32 GLN N 1 32 GLN CA 1 32 GLN C -76.00 -56.00 -61.68 -73.84 -55.59 0.41 8 0 "[ . 1 . 2]"
12 . 1 32 GLN N 1 32 GLN CA 1 32 GLN C 1 33 GLU N -50.70 -30.70 -39.84 -33.52 -37.88 0.42 2 0 "[ . 1 . 2]"
13 . 1 32 GLN C 1 33 GLU N 1 33 GLU CA 1 33 GLU C -73.80 -51.80 -61.93 -62.01 -63.13 0.40 13 0 "[ . 1 . 2]"
14 . 1 33 GLU N 1 33 GLU CA 1 33 GLU C 1 34 GLU N -54.30 -29.50 -49.03 -55.92 -36.48 1.62 11 0 "[ . 1 . 2]"
15 . 1 33 GLU C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -72.90 -52.70 -59.05 -59.65 -62.00 0.66 5 0 "[ . 1 . 2]"
16 . 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 VAL N -57.40 -30.60 -45.33 -34.57 -38.87 0.18 19 0 "[ . 1 . 2]"
17 . 1 34 GLU C 1 35 VAL N 1 35 VAL CA 1 35 VAL C -82.10 -50.90 -63.28 -60.12 -61.59 0.52 5 0 "[ . 1 . 2]"
18 . 1 35 VAL N 1 35 VAL CA 1 35 VAL C 1 36 MET N -54.20 -33.80 -44.52 -53.93 -33.67 0.13 13 0 "[ . 1 . 2]"
19 . 1 35 VAL C 1 36 MET N 1 36 MET CA 1 36 MET C -72.90 -52.90 -65.46 -73.22 -60.30 0.32 7 0 "[ . 1 . 2]"
20 . 1 36 MET N 1 36 MET CA 1 36 MET C 1 37 ASN N -50.70 -29.70 -45.68 -52.12 -29.34 1.42 17 0 "[ . 1 . 2]"
21 . 1 36 MET C 1 37 ASN N 1 37 ASN CA 1 37 ASN C -77.20 -51.40 -56.82 -54.48 -56.11 0.75 2 0 "[ . 1 . 2]"
22 . 1 37 ASN N 1 37 ASN CA 1 37 ASN C 1 38 GLY N -55.80 -30.00 -46.42 -56.36 -35.76 0.56 13 0 "[ . 1 . 2]"
23 . 1 37 ASN C 1 38 GLY N 1 38 GLY CA 1 38 GLY C -75.50 -55.50 -58.92 -57.90 -58.60 0.28 16 0 "[ . 1 . 2]"
24 . 1 38 GLY N 1 38 GLY CA 1 38 GLY C 1 39 ARG N -51.60 -29.00 -42.49 -48.36 -33.15 . . 0 "[ . 1 . 2]"
25 . 1 38 GLY C 1 39 ARG N 1 39 ARG CA 1 39 ARG C -75.30 -55.30 -64.66 -58.93 -62.55 . . 0 "[ . 1 . 2]"
26 . 1 39 ARG N 1 39 ARG CA 1 39 ARG C 1 40 LEU N -54.60 -34.60 -51.05 -56.27 -34.73 1.67 12 0 "[ . 1 . 2]"
27 . 1 39 ARG C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -74.60 -51.80 -61.16 -69.57 -55.18 . . 0 "[ . 1 . 2]"
28 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 ARG N -54.10 -28.30 -45.78 -52.72 -31.23 . . 0 "[ . 1 . 2]"
29 . 1 40 LEU C 1 41 ARG N 1 41 ARG CA 1 41 ARG C -74.40 -54.40 -60.70 -58.57 -59.13 0.10 11 0 "[ . 1 . 2]"
30 . 1 41 ARG N 1 41 ARG CA 1 41 ARG C 1 42 ALA N -53.50 -33.50 -41.39 -47.08 -34.87 . . 0 "[ . 1 . 2]"
31 . 1 41 ARG C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -81.30 -51.30 -61.32 -66.05 -57.90 . . 0 "[ . 1 . 2]"
32 . 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 ILE N -64.10 -16.30 -43.74 -40.31 -42.21 . . 0 "[ . 1 . 2]"
33 . 1 42 ALA C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -76.70 -52.90 -61.32 -62.25 -64.91 . . 0 "[ . 1 . 2]"
34 . 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 ARG N -53.10 -33.10 -45.33 -51.90 -38.79 . . 0 "[ . 1 . 2]"
35 . 1 43 ILE C 1 44 ARG N 1 44 ARG CA 1 44 ARG C -80.80 -48.40 -65.19 -77.67 -50.85 . . 0 "[ . 1 . 2]"
36 . 1 44 ARG N 1 44 ARG CA 1 44 ARG C 1 45 SER N -49.20 -27.40 -30.50 -38.69 -24.95 2.45 8 0 "[ . 1 . 2]"
37 . 1 49 VAL C 1 50 GLU N 1 50 GLU CA 1 50 GLU C -132.10 -66.30 -82.70 -94.96 -73.03 . . 0 "[ . 1 . 2]"
38 . 1 50 GLU N 1 50 GLU CA 1 50 GLU C 1 51 PHE N 97.60 136.00 96.45 95.87 95.58 2.25 1 0 "[ . 1 . 2]"
39 . 1 50 GLU C 1 51 PHE N 1 51 PHE CA 1 51 PHE C -123.70 -96.10 -110.58 -119.27 -103.49 . . 0 "[ . 1 . 2]"
40 . 1 51 PHE N 1 51 PHE CA 1 51 PHE C 1 52 ALA N 92.50 142.70 104.69 108.72 107.75 . . 0 "[ . 1 . 2]"
41 . 1 51 PHE C 1 52 ALA N 1 52 ALA CA 1 52 ALA C -144.10 -103.30 -108.05 -117.70 -102.52 0.78 20 0 "[ . 1 . 2]"
42 . 1 52 ALA N 1 52 ALA CA 1 52 ALA C 1 53 VAL N 90.40 -162.20 138.00 139.70 133.99 . . 0 "[ . 1 . 2]"
43 . 1 52 ALA C 1 53 VAL N 1 53 VAL CA 1 53 VAL C -145.20 -90.00 -119.36 -128.57 -98.55 . . 0 "[ . 1 . 2]"
44 . 1 53 VAL N 1 53 VAL CA 1 53 VAL C 1 54 VAL N 108.20 148.40 123.76 132.82 128.81 0.44 19 0 "[ . 1 . 2]"
45 . 1 53 VAL C 1 54 VAL N 1 54 VAL CA 1 54 VAL C -146.00 -108.00 -122.02 -126.53 -127.64 1.45 20 0 "[ . 1 . 2]"
46 . 1 54 VAL N 1 54 VAL CA 1 54 VAL C 1 55 THR N 113.40 173.20 136.73 121.93 143.31 . . 0 "[ . 1 . 2]"
47 . 1 54 VAL C 1 55 THR N 1 55 THR CA 1 55 THR C -169.10 -93.10 -120.39 -121.04 -124.04 . . 0 "[ . 1 . 2]"
48 . 1 55 THR N 1 55 THR CA 1 55 THR C 1 56 LEU N 123.50 -174.50 123.73 120.76 130.22 2.74 5 0 "[ . 1 . 2]"
49 . 1 55 THR C 1 56 LEU N 1 56 LEU CA 1 56 LEU C 176.30 -63.90 -126.72 -131.85 -118.16 . . 0 "[ . 1 . 2]"
50 . 1 56 LEU N 1 56 LEU CA 1 56 LEU C 1 57 PRO N 51.30 -163.30 142.12 145.24 143.22 . . 0 "[ . 1 . 2]"
51 . 1 66 ASP C 1 67 PHE N 1 67 PHE CA 1 67 PHE C -76.40 -50.00 -59.20 -76.78 -52.67 0.38 15 0 "[ . 1 . 2]"
52 . 1 67 PHE N 1 67 PHE CA 1 67 PHE C 1 68 THR N -63.70 -32.10 -53.20 -53.38 -53.79 . . 0 "[ . 1 . 2]"
53 . 1 67 PHE C 1 68 THR N 1 68 THR CA 1 68 THR C -72.10 -46.50 -56.68 -53.22 -54.69 . . 0 "[ . 1 . 2]"
54 . 1 68 THR N 1 68 THR CA 1 68 THR C 1 69 LEU N -56.40 -27.80 -43.57 -52.53 -31.21 . . 0 "[ . 1 . 2]"
55 . 1 68 THR C 1 69 LEU N 1 69 LEU CA 1 69 LEU C -72.10 -52.10 -58.24 -66.71 -53.03 . . 0 "[ . 1 . 2]"
56 . 1 69 LEU N 1 69 LEU CA 1 69 LEU C 1 70 LYS N -54.40 -34.40 -51.15 -46.73 -49.15 2.66 10 0 "[ . 1 . 2]"
57 . 1 69 LEU C 1 70 LYS N 1 70 LYS CA 1 70 LYS C -71.20 -51.20 -61.12 -71.33 -51.87 0.13 8 0 "[ . 1 . 2]"
58 . 1 70 LYS N 1 70 LYS CA 1 70 LYS C 1 71 LEU N -54.00 -27.80 -43.09 -40.19 -41.86 . . 0 "[ . 1 . 2]"
59 . 1 70 LYS C 1 71 LEU N 1 71 LEU CA 1 71 LEU C -73.60 -53.60 -66.52 -74.40 -59.60 0.80 4 0 "[ . 1 . 2]"
60 . 1 71 LEU N 1 71 LEU CA 1 71 LEU C 1 72 ALA N -57.00 -37.00 -43.75 -40.76 -42.58 0.39 20 0 "[ . 1 . 2]"
61 . 1 71 LEU C 1 72 ALA N 1 72 ALA CA 1 72 ALA C -71.50 -45.70 -64.60 -63.86 -64.62 0.01 14 0 "[ . 1 . 2]"
62 . 1 72 ALA N 1 72 ALA CA 1 72 ALA C 1 73 ARG N -59.60 -25.60 -38.06 -48.19 -30.21 . . 0 "[ . 1 . 2]"
63 . 1 72 ALA C 1 73 ARG N 1 73 ARG CA 1 73 ARG C -76.00 -56.00 -63.42 -62.42 -63.26 . . 0 "[ . 1 . 2]"
64 . 1 73 ARG N 1 73 ARG CA 1 73 ARG C 1 74 GLN N -53.60 -24.20 -46.37 -54.23 -24.72 0.63 20 0 "[ . 1 . 2]"
65 . 1 73 ARG C 1 74 GLN N 1 74 GLN CA 1 74 GLN C -75.90 -55.70 -66.68 -67.06 -67.81 . . 0 "[ . 1 . 2]"
66 . 1 74 GLN N 1 74 GLN CA 1 74 GLN C 1 75 TRP N -46.30 -11.50 -29.63 -28.01 -31.21 . . 0 "[ . 1 . 2]"
67 . 1 74 GLN C 1 75 TRP N 1 75 TRP CA 1 75 TRP C -117.10 -64.70 -84.61 -103.40 -71.45 . . 0 "[ . 1 . 2]"
68 . 1 75 TRP N 1 75 TRP CA 1 75 TRP C 1 76 GLY N -15.30 25.90 -6.49 7.33 -2.27 2.13 9 0 "[ . 1 . 2]"
69 . 1 84 ASN C 1 85 GLY N 1 85 GLY CA 1 85 GLY C 138.30 -31.30 -108.17 -111.40 -136.90 . . 0 "[ . 1 . 2]"
70 . 1 85 GLY N 1 85 GLY CA 1 85 GLY C 1 86 LEU N 124.20 -151.00 136.19 123.83 150.18 0.37 11 0 "[ . 1 . 2]"
71 . 1 85 GLY C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -158.40 -121.40 -144.86 -147.26 -148.77 . . 0 "[ . 1 . 2]"
72 . 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 LEU N 120.10 146.50 123.68 118.81 134.85 1.29 14 0 "[ . 1 . 2]"
73 . 1 86 LEU C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -140.30 -79.30 -114.02 -125.65 -107.20 . . 0 "[ . 1 . 2]"
74 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 LEU N 122.40 144.80 133.09 122.25 144.29 0.15 3 0 "[ . 1 . 2]"
75 . 1 87 LEU C 1 88 LEU N 1 88 LEU CA 1 88 LEU C -155.30 -79.70 -122.32 -128.68 -129.70 . . 0 "[ . 1 . 2]"
76 . 1 88 LEU N 1 88 LEU CA 1 88 LEU C 1 89 VAL N 103.40 153.00 114.43 102.52 127.79 0.88 9 0 "[ . 1 . 2]"
77 . 1 88 LEU C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -141.30 -76.30 -116.50 -125.21 -127.00 . . 0 "[ . 1 . 2]"
78 . 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 LEU N 116.90 149.50 125.48 126.54 125.09 0.30 8 0 "[ . 1 . 2]"
79 . 1 89 VAL C 1 90 LEU N 1 90 LEU CA 1 90 LEU C -166.40 -80.60 -102.96 -110.04 -95.45 . . 0 "[ . 1 . 2]"
80 . 1 90 LEU N 1 90 LEU CA 1 90 LEU C 1 91 VAL N 101.40 157.40 123.94 114.91 134.11 . . 0 "[ . 1 . 2]"
81 . 1 90 LEU C 1 91 VAL N 1 91 VAL CA 1 91 VAL C -142.90 -65.70 -107.35 -111.82 -115.02 . . 0 "[ . 1 . 2]"
82 . 1 91 VAL N 1 91 VAL CA 1 91 VAL C 1 92 LEU N 68.70 159.90 103.14 94.15 109.70 . . 0 "[ . 1 . 2]"
83 . 1 95 ARG C 1 96 ARG N 1 96 ARG CA 1 96 ARG C 177.70 -88.10 -125.88 -112.75 -117.04 . . 0 "[ . 1 . 2]"
84 . 1 96 ARG N 1 96 ARG CA 1 96 ARG C 1 97 VAL N 141.60 -166.00 155.92 141.07 173.53 0.53 16 0 "[ . 1 . 2]"
85 . 1 96 ARG C 1 97 VAL N 1 97 VAL CA 1 97 VAL C -163.60 -111.20 -130.67 -139.27 -117.87 . . 0 "[ . 1 . 2]"
86 . 1 97 VAL N 1 97 VAL CA 1 97 VAL C 1 98 ARG N 142.50 171.10 167.69 144.66 172.43 1.33 5 0 "[ . 1 . 2]"
87 . 1 97 VAL C 1 98 ARG N 1 98 ARG CA 1 98 ARG C -159.90 -96.30 -147.36 -148.44 -148.59 0.42 13 0 "[ . 1 . 2]"
88 . 1 98 ARG N 1 98 ARG CA 1 98 ARG C 1 99 PHE N 106.30 161.10 136.66 133.16 130.97 . . 0 "[ . 1 . 2]"
89 . 1 98 ARG C 1 99 PHE N 1 99 PHE CA 1 99 PHE C -150.90 -88.90 -98.84 -96.08 -97.12 . . 0 "[ . 1 . 2]"
90 . 1 99 PHE N 1 99 PHE CA 1 99 PHE C 1 100 GLU N 102.50 160.30 122.18 102.29 153.23 0.21 16 0 "[ . 1 . 2]"
91 . 1 99 PHE C 1 100 GLU N 1 100 GLU CA 1 100 GLU C -155.50 -82.10 -108.98 -138.01 -81.87 0.23 7 0 "[ . 1 . 2]"
92 . 1 100 GLU N 1 100 GLU CA 1 100 GLU C 1 101 THR N 113.20 149.20 113.62 114.45 113.00 1.83 7 0 "[ . 1 . 2]"
93 . 1 103 TYR C 1 104 GLY N 1 104 GLY CA 1 104 GLY C -87.50 -52.70 -76.61 -88.15 -54.15 0.65 4 0 "[ . 1 . 2]"
94 . 1 104 GLY N 1 104 GLY CA 1 104 GLY C 1 105 LEU N -60.50 4.70 -26.38 -42.46 -6.96 . . 0 "[ . 1 . 2]"
95 . 1 105 LEU C 1 106 GLU N 1 106 GLU CA 1 106 GLU C -70.20 -50.20 -57.09 -54.40 -56.40 0.45 2 0 "[ . 1 . 2]"
96 . 1 106 GLU N 1 106 GLU CA 1 106 GLU C 1 107 GLY N -50.00 -2.40 -28.04 -44.05 -12.59 . . 0 "[ . 1 . 2]"
97 . 1 110 PRO C 1 111 ASP N 1 111 ASP CA 1 111 ASP C -70.00 -32.20 -50.36 -57.25 -43.38 . . 0 "[ . 1 . 2]"
98 . 1 111 ASP N 1 111 ASP CA 1 111 ASP C 1 112 GLY N -63.80 -19.80 -38.79 -48.80 -27.64 . . 0 "[ . 1 . 2]"
99 . 1 111 ASP C 1 112 GLY N 1 112 GLY CA 1 112 GLY C -79.20 -55.80 -61.22 -68.12 -57.37 . . 0 "[ . 1 . 2]"
100 . 1 112 GLY N 1 112 GLY CA 1 112 GLY C 1 113 LEU N -50.00 -23.20 -47.67 -40.62 -44.82 1.03 7 0 "[ . 1 . 2]"
101 . 1 112 GLY C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -73.40 -53.40 -61.11 -67.32 -56.12 . . 0 "[ . 1 . 2]"
102 . 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 LEU N -54.40 -30.00 -45.66 -49.69 -50.54 . . 0 "[ . 1 . 2]"
103 . 1 113 LEU C 1 114 LEU N 1 114 LEU CA 1 114 LEU C -74.30 -54.30 -58.72 -56.93 -57.52 . . 0 "[ . 1 . 2]"
104 . 1 114 LEU N 1 114 LEU CA 1 114 LEU C 1 115 SER N -52.40 -32.40 -42.36 -48.61 -36.34 . . 0 "[ . 1 . 2]"
105 . 1 114 LEU C 1 115 SER N 1 115 SER CA 1 115 SER C -73.40 -53.40 -63.10 -61.91 -62.67 . . 0 "[ . 1 . 2]"
106 . 1 115 SER N 1 115 SER CA 1 115 SER C 1 116 ARG N -48.60 -23.00 -38.44 -46.85 -32.25 . . 0 "[ . 1 . 2]"
107 . 1 115 SER C 1 116 ARG N 1 116 ARG CA 1 116 ARG C -79.50 -55.30 -60.66 -58.04 -59.12 0.14 6 0 "[ . 1 . 2]"
108 . 1 116 ARG N 1 116 ARG CA 1 116 ARG C 1 117 ILE N -58.00 -24.20 -50.34 -56.38 -37.81 . . 0 "[ . 1 . 2]"
109 . 1 116 ARG C 1 117 ILE N 1 117 ILE CA 1 117 ILE C -71.10 -51.10 -52.34 -50.82 -50.91 1.91 10 0 "[ . 1 . 2]"
110 . 1 117 ILE N 1 117 ILE CA 1 117 ILE C 1 118 ILE N -53.20 -33.20 -44.49 -51.99 -35.62 . . 0 "[ . 1 . 2]"
111 . 1 117 ILE C 1 118 ILE N 1 118 ILE CA 1 118 ILE C -76.40 -56.00 -59.38 -64.90 -55.72 0.28 15 0 "[ . 1 . 2]"
112 . 1 118 ILE N 1 118 ILE CA 1 118 ILE C 1 119 HIS N -55.30 -35.30 -52.98 -44.85 -48.46 1.81 11 0 "[ . 1 . 2]"
113 . 1 118 ILE C 1 119 HIS N 1 119 HIS CA 1 119 HIS C -83.00 -43.80 -77.71 -84.21 -69.78 1.21 11 0 "[ . 1 . 2]"
114 . 1 119 HIS N 1 119 HIS CA 1 119 HIS C 1 120 ASP N -68.80 -9.60 -25.66 -23.59 -28.25 0.43 10 0 "[ . 1 . 2]"
115 . 1 122 MET C 1 123 ILE N 1 123 ILE CA 1 123 ILE C -65.30 -33.70 -51.17 -51.77 -53.01 . . 0 "[ . 1 . 2]"
116 . 1 123 ILE N 1 123 ILE CA 1 123 ILE C 1 124 PRO N -60.10 -40.10 -52.93 -53.63 -54.47 . . 0 "[ . 1 . 2]"
117 . 1 124 PRO C 1 125 HIS N 1 125 HIS CA 1 125 HIS C -82.70 -52.30 -71.30 -77.97 -79.85 1.45 16 0 "[ . 1 . 2]"
118 . 1 125 HIS N 1 125 HIS CA 1 125 HIS C 1 126 PHE N -68.00 3.40 -48.51 -43.10 -46.54 . . 0 "[ . 1 . 2]"
119 . 1 125 HIS C 1 126 PHE N 1 126 PHE CA 1 126 PHE C -78.50 -56.70 -57.67 -61.37 -55.78 0.92 16 0 "[ . 1 . 2]"
120 . 1 126 PHE N 1 126 PHE CA 1 126 PHE C 1 127 ARG N -53.40 -22.60 -41.30 -47.49 -32.88 . . 0 "[ . 1 . 2]"
121 . 1 130 ASN C 1 131 TYR N 1 131 TYR CA 1 131 TYR C -70.40 -50.40 -66.39 -58.72 -61.63 1.14 4 0 "[ . 1 . 2]"
122 . 1 131 TYR N 1 131 TYR CA 1 131 TYR C 1 132 ALA N -60.20 -16.00 -46.16 -60.45 -32.46 0.25 2 0 "[ . 1 . 2]"
123 . 1 131 TYR C 1 132 ALA N 1 132 ALA CA 1 132 ALA C -77.90 -52.30 -63.50 -63.75 -64.87 . . 0 "[ . 1 . 2]"
124 . 1 132 ALA N 1 132 ALA CA 1 132 ALA C 1 133 GLU N -50.70 -28.50 -43.87 -37.90 -40.89 0.14 14 0 "[ . 1 . 2]"
125 . 1 132 ALA C 1 133 GLU N 1 133 GLU CA 1 133 GLU C -78.50 -52.10 -63.29 -59.82 -61.13 . . 0 "[ . 1 . 2]"
126 . 1 133 GLU N 1 133 GLU CA 1 133 GLU C 1 134 GLY N -52.70 -29.70 -43.34 -53.27 -31.60 0.57 11 0 "[ . 1 . 2]"
127 . 1 133 GLU C 1 134 GLY N 1 134 GLY CA 1 134 GLY C -74.50 -54.50 -59.09 -71.28 -53.84 0.66 17 0 "[ . 1 . 2]"
128 . 1 134 GLY N 1 134 GLY CA 1 134 GLY C 1 135 LEU N -67.60 9.60 -48.63 -47.21 -49.75 . . 0 "[ . 1 . 2]"
129 . 1 134 GLY C 1 135 LEU N 1 135 LEU CA 1 135 LEU C -76.00 -42.60 -60.01 -54.20 -56.64 . . 0 "[ . 1 . 2]"
130 . 1 135 LEU N 1 135 LEU CA 1 135 LEU C 1 136 SER N -60.40 -29.00 -44.60 -48.90 -51.65 . . 0 "[ . 1 . 2]"
131 . 1 135 LEU C 1 136 SER N 1 136 SER CA 1 136 SER C -75.40 -45.00 -58.52 -62.50 -51.77 . . 0 "[ . 1 . 2]"
132 . 1 136 SER N 1 136 SER CA 1 136 SER C 1 137 GLU N -56.60 -27.00 -48.66 -38.85 -43.88 1.38 9 0 "[ . 1 . 2]"
133 . 1 136 SER C 1 137 GLU N 1 137 GLU CA 1 137 GLU C -75.10 -55.10 -68.64 -68.64 -72.15 1.32 6 0 "[ . 1 . 2]"
134 . 1 137 GLU N 1 137 GLU CA 1 137 GLU C 1 138 GLY N -59.90 -19.90 -35.21 -51.37 -19.64 0.26 9 0 "[ . 1 . 2]"
135 . 1 137 GLU C 1 138 GLY N 1 138 GLY CA 1 138 GLY C -78.10 -54.10 -61.06 -65.13 -58.63 . . 0 "[ . 1 . 2]"
136 . 1 138 GLY N 1 138 GLY CA 1 138 GLY C 1 139 VAL N -60.40 -16.60 -49.04 -54.20 -44.80 . . 0 "[ . 1 . 2]"
137 . 1 138 GLY C 1 139 VAL N 1 139 VAL CA 1 139 VAL C -73.30 -42.30 -58.38 -61.20 -62.63 . . 0 "[ . 1 . 2]"
138 . 1 139 VAL N 1 139 VAL CA 1 139 VAL C 1 140 LEU N -59.30 -28.50 -46.85 -50.63 -39.68 . . 0 "[ . 1 . 2]"
139 . 1 139 VAL C 1 140 LEU N 1 140 LEU CA 1 140 LEU C -71.20 -49.00 -59.82 -58.45 -59.37 . . 0 "[ . 1 . 2]"
140 . 1 140 LEU N 1 140 LEU CA 1 140 LEU C 1 141 ALA N -52.70 -32.70 -39.68 -46.55 -33.99 . . 0 "[ . 1 . 2]"
141 . 1 140 LEU C 1 141 ALA N 1 141 ALA CA 1 141 ALA C -78.30 -53.10 -60.41 -59.78 -60.24 . . 0 "[ . 1 . 2]"
142 . 1 141 ALA N 1 141 ALA CA 1 141 ALA C 1 142 VAL N -58.60 -21.20 -49.33 -51.54 -51.84 . . 0 "[ . 1 . 2]"
143 . 1 141 ALA C 1 142 VAL N 1 142 VAL CA 1 142 VAL C -80.20 -51.80 -59.31 -56.33 -56.69 . . 0 "[ . 1 . 2]"
144 . 1 142 VAL N 1 142 VAL CA 1 142 VAL C 1 143 GLN N -61.20 -29.60 -48.18 -56.40 -43.37 . . 0 "[ . 1 . 2]"
145 . 1 142 VAL C 1 143 GLN N 1 143 GLN CA 1 143 GLN C -69.20 -49.20 -53.94 -53.22 -53.39 . . 0 "[ . 1 . 2]"
146 . 1 143 GLN N 1 143 GLN CA 1 143 GLN C 1 144 GLN N -56.30 -36.30 -42.83 -47.60 -51.23 0.93 8 0 "[ . 1 . 2]"
147 . 1 143 GLN C 1 144 GLN N 1 144 GLN CA 1 144 GLN C -72.70 -49.70 -61.63 -65.27 -65.59 0.19 12 0 "[ . 1 . 2]"
148 . 1 144 GLN N 1 144 GLN CA 1 144 GLN C 1 145 VAL N -51.20 -31.20 -39.17 -48.82 -29.84 1.36 11 0 "[ . 1 . 2]"
149 . 1 144 GLN C 1 145 VAL N 1 145 VAL CA 1 145 VAL C -89.90 -47.30 -62.12 -74.53 -57.15 . . 0 "[ . 1 . 2]"
150 . 1 145 VAL N 1 145 VAL CA 1 145 VAL C 1 146 LEU N -65.90 -21.70 -47.28 -46.31 -48.29 . . 0 "[ . 1 . 2]"
151 . 1 145 VAL C 1 146 LEU N 1 146 LEU CA 1 146 LEU C -70.80 -50.80 -64.46 -71.76 -53.21 0.96 11 0 "[ . 1 . 2]"
152 . 1 146 LEU N 1 146 LEU CA 1 146 LEU C 1 147 ASP N -56.30 -23.10 -50.79 -35.75 -44.26 2.00 11 0 "[ . 1 . 2]"
153 . 1 146 LEU C 1 147 ASP N 1 147 ASP CA 1 147 ASP C -79.50 -56.90 -61.10 -71.56 -55.38 1.52 12 0 "[ . 1 . 2]"
154 . 1 147 ASP N 1 147 ASP CA 1 147 ASP C 1 148 GLY N -65.30 -14.70 -30.59 -52.69 -14.30 0.40 11 0 "[ . 1 . 2]"
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