NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
539764 |
2lst   |
18443 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lst
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 217
_TA_constraint_stats_list.Viol_count 673
_TA_constraint_stats_list.Viol_total 16850.05
_TA_constraint_stats_list.Viol_max 7.90
_TA_constraint_stats_list.Viol_rms 0.59
_TA_constraint_stats_list.Viol_average_all_restraints 0.19
_TA_constraint_stats_list.Viol_average_violations_only 1.25
_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 SER C 1 3 LEU N 1 3 LEU CA 1 3 LEU C -132.00 -56.00 -84.73 -133.82 -54.49 1.82 13 0 "[ . 1 . 2]"
2 . 1 3 LEU N 1 3 LEU CA 1 3 LEU C 1 4 ARG N 104.00 156.00 142.19 153.29 150.83 0.52 7 0 "[ . 1 . 2]"
3 . 1 3 LEU C 1 4 ARG N 1 4 ARG CA 1 4 ARG C -135.00 -71.00 -90.09 -88.44 -90.55 . . 0 "[ . 1 . 2]"
4 . 1 4 ARG N 1 4 ARG CA 1 4 ARG C 1 5 TRP N 105.00 157.00 107.21 104.52 104.31 2.59 8 0 "[ . 1 . 2]"
5 . 1 4 ARG C 1 5 TRP N 1 5 TRP CA 1 5 TRP C -129.30 -89.30 -107.27 -102.88 -104.35 . . 0 "[ . 1 . 2]"
6 . 1 5 TRP N 1 5 TRP CA 1 5 TRP C 1 6 TYR N 104.60 170.20 115.64 108.71 104.63 1.93 17 0 "[ . 1 . 2]"
7 . 1 5 TRP C 1 6 TYR N 1 6 TYR CA 1 6 TYR C -171.40 -51.60 -124.22 -138.91 -110.49 . . 0 "[ . 1 . 2]"
8 . 1 6 TYR N 1 6 TYR CA 1 6 TYR C 1 7 PRO N 56.90 -178.30 159.47 145.35 170.60 . . 0 "[ . 1 . 2]"
9 . 1 6 TYR C 1 7 PRO N 1 7 PRO CA 1 7 PRO C -82.00 -42.00 -62.56 -63.68 -64.92 . . 0 "[ . 1 . 2]"
10 . 1 7 PRO N 1 7 PRO CA 1 7 PRO C 1 8 TYR N 126.00 166.00 162.25 157.91 166.93 0.93 7 0 "[ . 1 . 2]"
11 . 1 7 PRO C 1 8 TYR N 1 8 TYR CA 1 8 TYR C -71.00 -31.00 -47.67 -47.52 -48.31 . . 0 "[ . 1 . 2]"
12 . 1 8 TYR N 1 8 TYR CA 1 8 TYR C 1 9 PRO N -70.00 -18.00 -52.41 -55.73 -50.03 . . 0 "[ . 1 . 2]"
13 . 1 8 TYR C 1 9 PRO N 1 9 PRO CA 1 9 PRO C -75.00 -35.00 -61.58 -66.24 -56.57 . . 0 "[ . 1 . 2]"
14 . 1 9 PRO N 1 9 PRO CA 1 9 PRO C 1 10 GLU N -59.00 -19.00 -46.55 -44.08 -45.69 . . 0 "[ . 1 . 2]"
15 . 1 9 PRO C 1 10 GLU N 1 10 GLU CA 1 10 GLU C -83.00 -43.00 -66.81 -72.19 -54.14 . . 0 "[ . 1 . 2]"
16 . 1 10 GLU N 1 10 GLU CA 1 10 GLU C 1 11 ALA N -61.00 -21.00 -40.32 -46.07 -30.60 . . 0 "[ . 1 . 2]"
17 . 1 10 GLU C 1 11 ALA N 1 11 ALA CA 1 11 ALA C -85.40 -45.40 -60.34 -54.71 -54.97 . . 0 "[ . 1 . 2]"
18 . 1 11 ALA N 1 11 ALA CA 1 11 ALA C 1 12 LEU N -58.90 -18.90 -45.10 -49.84 -38.17 . . 0 "[ . 1 . 2]"
19 . 1 11 ALA C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -80.20 -40.20 -64.54 -68.10 -69.47 . . 0 "[ . 1 . 2]"
20 . 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 ALA N -62.70 -22.70 -37.57 -42.67 -30.88 . . 0 "[ . 1 . 2]"
21 . 1 12 LEU C 1 13 ALA N 1 13 ALA CA 1 13 ALA C -84.40 -44.40 -72.82 -72.60 -73.00 . . 0 "[ . 1 . 2]"
22 . 1 13 ALA N 1 13 ALA CA 1 13 ALA C 1 14 LEU N -61.70 -21.70 -40.56 -44.19 -44.79 . . 0 "[ . 1 . 2]"
23 . 1 13 ALA C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -85.50 -45.50 -60.46 -59.30 -59.67 . . 0 "[ . 1 . 2]"
24 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 ALA N -63.40 -23.40 -46.98 -51.40 -37.92 . . 0 "[ . 1 . 2]"
25 . 1 14 LEU C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -82.00 -42.00 -65.82 -62.30 -63.13 . . 0 "[ . 1 . 2]"
26 . 1 15 ALA N 1 15 ALA CA 1 15 ALA C 1 16 GLN N -58.60 -18.60 -44.86 -44.47 -45.57 . . 0 "[ . 1 . 2]"
27 . 1 15 ALA C 1 16 GLN N 1 16 GLN CA 1 16 GLN C -83.90 -43.90 -61.95 -64.52 -65.86 . . 0 "[ . 1 . 2]"
28 . 1 16 GLN N 1 16 GLN CA 1 16 GLN C 1 17 ALA N -64.50 -24.50 -47.12 -41.46 -42.35 . . 0 "[ . 1 . 2]"
29 . 1 16 GLN C 1 17 ALA N 1 17 ALA CA 1 17 ALA C -88.00 -48.00 -79.38 -84.43 -74.63 . . 0 "[ . 1 . 2]"
30 . 1 17 ALA N 1 17 ALA CA 1 17 ALA C 1 18 HIS N -56.00 -16.00 -14.87 -18.88 -13.96 2.04 3 0 "[ . 1 . 2]"
31 . 1 17 ALA C 1 18 HIS N 1 18 HIS CA 1 18 HIS C -118.00 -74.00 -115.97 -117.00 -117.92 1.14 4 0 "[ . 1 . 2]"
32 . 1 18 HIS N 1 18 HIS CA 1 18 HIS C 1 19 GLY N -25.00 15.00 -0.13 -22.87 6.61 . . 0 "[ . 1 . 2]"
33 . 1 20 ARG C 1 21 MET N 1 21 MET CA 1 21 MET C -177.90 -102.50 -104.13 -105.22 -107.47 2.00 8 0 "[ . 1 . 2]"
34 . 1 21 MET N 1 21 MET CA 1 21 MET C 1 22 VAL N 111.70 171.70 157.96 156.08 155.62 . . 0 "[ . 1 . 2]"
35 . 1 21 MET C 1 22 VAL N 1 22 VAL CA 1 22 VAL C -147.00 -107.00 -107.24 -106.39 -106.73 1.40 8 0 "[ . 1 . 2]"
36 . 1 22 VAL N 1 22 VAL CA 1 22 VAL C 1 23 MET N 113.40 162.60 127.07 119.53 135.62 . . 0 "[ . 1 . 2]"
37 . 1 22 VAL C 1 23 MET N 1 23 MET CA 1 23 MET C -158.20 -86.20 -108.50 -104.39 -105.69 . . 0 "[ . 1 . 2]"
38 . 1 23 MET N 1 23 MET CA 1 23 MET C 1 24 VAL N 105.00 145.00 104.16 102.65 113.58 2.35 3 0 "[ . 1 . 2]"
39 . 1 23 MET C 1 24 VAL N 1 24 VAL CA 1 24 VAL C -129.40 -81.20 -87.58 -94.88 -81.05 0.15 20 0 "[ . 1 . 2]"
40 . 1 24 VAL N 1 24 VAL CA 1 24 VAL C 1 25 TYR N 99.70 139.70 107.96 101.19 120.31 . . 0 "[ . 1 . 2]"
41 . 1 24 VAL C 1 25 TYR N 1 25 TYR CA 1 25 TYR C -130.20 -82.60 -101.27 -108.74 -92.57 . . 0 "[ . 1 . 2]"
42 . 1 25 TYR N 1 25 TYR CA 1 25 TYR C 1 26 PHE N 104.00 144.00 107.08 106.67 104.77 1.00 6 0 "[ . 1 . 2]"
43 . 1 25 TYR C 1 26 PHE N 1 26 PHE CA 1 26 PHE C -131.00 -76.00 -86.08 -82.71 -84.19 . . 0 "[ . 1 . 2]"
44 . 1 26 PHE N 1 26 PHE CA 1 26 PHE C 1 27 HIS N 108.60 156.60 119.51 105.38 132.55 3.22 17 0 "[ . 1 . 2]"
45 . 1 26 PHE C 1 27 HIS N 1 27 HIS CA 1 27 HIS C -174.00 -102.00 -128.23 -124.54 -127.57 . . 0 "[ . 1 . 2]"
46 . 1 27 HIS N 1 27 HIS CA 1 27 HIS C 1 28 SER N 140.00 180.00 150.98 155.85 150.42 2.79 15 0 "[ . 1 . 2]"
47 . 1 27 HIS C 1 28 SER N 1 28 SER CA 1 28 SER C -142.00 -46.00 -129.62 -144.11 -60.81 2.11 2 0 "[ . 1 . 2]"
48 . 1 28 SER N 1 28 SER CA 1 28 SER C 1 29 GLU N 88.00 164.00 156.70 159.12 153.12 4.12 11 0 "[ . 1 . 2]"
49 . 1 32 PRO C 1 33 TYR N 1 33 TYR CA 1 33 TYR C -86.00 -46.00 -79.16 -80.02 -83.35 1.72 5 0 "[ . 1 . 2]"
50 . 1 33 TYR N 1 33 TYR CA 1 33 TYR C 1 34 CYS N -59.00 -19.00 -25.62 -19.49 -21.70 2.17 11 0 "[ . 1 . 2]"
51 . 1 33 TYR C 1 34 CYS N 1 34 CYS CA 1 34 CYS C -82.00 -42.00 -68.04 -63.27 -68.22 1.43 19 0 "[ . 1 . 2]"
52 . 1 34 CYS N 1 34 CYS CA 1 34 CYS C 1 35 GLN N -64.00 -24.00 -30.75 -25.76 -30.83 5.16 20 1 "[ . 1 . +]"
53 . 1 34 CYS C 1 35 GLN N 1 35 GLN CA 1 35 GLN C -81.00 -41.00 -57.71 -50.81 -52.20 . . 0 "[ . 1 . 2]"
54 . 1 35 GLN N 1 35 GLN CA 1 35 GLN C 1 36 GLN N -60.00 -20.00 -31.64 -47.81 -17.15 2.85 18 0 "[ . 1 . 2]"
55 . 1 35 GLN C 1 36 GLN N 1 36 GLN CA 1 36 GLN C -83.00 -43.00 -75.25 -84.18 -64.69 1.18 17 0 "[ . 1 . 2]"
56 . 1 36 GLN N 1 36 GLN CA 1 36 GLN C 1 37 MET N -64.00 -24.00 -42.35 -41.31 -43.56 . . 0 "[ . 1 . 2]"
57 . 1 36 GLN C 1 37 MET N 1 37 MET CA 1 37 MET C -84.00 -44.00 -69.40 -69.39 -74.51 . . 0 "[ . 1 . 2]"
58 . 1 37 MET N 1 37 MET CA 1 37 MET C 1 38 ASN N -59.00 -19.00 -44.04 -51.89 -33.47 . . 0 "[ . 1 . 2]"
59 . 1 37 MET C 1 38 ASN N 1 38 ASN CA 1 38 ASN C -87.00 -47.00 -61.08 -77.97 -52.36 . . 0 "[ . 1 . 2]"
60 . 1 38 ASN N 1 38 ASN CA 1 38 ASN C 1 39 THR N -58.00 -18.00 -37.14 -54.62 -17.10 0.90 19 0 "[ . 1 . 2]"
61 . 1 38 ASN C 1 39 THR N 1 39 THR CA 1 39 THR C -94.00 -54.00 -71.39 -92.13 -59.86 . . 0 "[ . 1 . 2]"
62 . 1 39 THR N 1 39 THR CA 1 39 THR C 1 40 PHE N -61.00 -21.00 -56.41 -54.31 -54.87 1.33 19 0 "[ . 1 . 2]"
63 . 1 39 THR C 1 40 PHE N 1 40 PHE CA 1 40 PHE C -89.00 -49.00 -91.16 -92.88 -89.86 3.88 19 0 "[ . 1 . 2]"
64 . 1 40 PHE N 1 40 PHE CA 1 40 PHE C 1 41 VAL N -70.00 10.00 -69.58 -68.52 -69.39 1.78 15 0 "[ . 1 . 2]"
65 . 1 40 PHE C 1 41 VAL N 1 41 VAL CA 1 41 VAL C -87.00 -43.00 -56.88 -52.89 -54.98 . . 0 "[ . 1 . 2]"
66 . 1 41 VAL N 1 41 VAL CA 1 41 VAL C 1 42 LEU N -62.00 -22.00 -47.96 -58.95 -39.91 . . 0 "[ . 1 . 2]"
67 . 1 41 VAL C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -81.00 -37.00 -80.86 -83.03 -76.87 2.03 13 0 "[ . 1 . 2]"
68 . 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 SER N -56.00 -12.00 -22.04 -23.93 -27.00 1.41 17 0 "[ . 1 . 2]"
69 . 1 42 LEU C 1 43 SER N 1 43 SER CA 1 43 SER C -142.00 -70.00 -94.04 -112.62 -83.82 . . 0 "[ . 1 . 2]"
70 . 1 43 SER N 1 43 SER CA 1 43 SER C 1 44 ASP N -18.00 22.00 -2.92 -1.56 -2.22 . . 0 "[ . 1 . 2]"
71 . 1 44 ASP C 1 45 PRO N 1 45 PRO CA 1 45 PRO C -76.00 -36.00 -53.68 -62.14 -46.90 . . 0 "[ . 1 . 2]"
72 . 1 45 PRO N 1 45 PRO CA 1 45 PRO C 1 46 GLY N -53.00 -13.00 -37.90 -48.74 -20.94 . . 0 "[ . 1 . 2]"
73 . 1 45 PRO C 1 46 GLY N 1 46 GLY CA 1 46 GLY C -89.20 -49.20 -72.17 -79.41 -60.59 . . 0 "[ . 1 . 2]"
74 . 1 46 GLY N 1 46 GLY CA 1 46 GLY C 1 47 VAL N -53.60 -13.60 -42.48 -44.53 -45.64 . . 0 "[ . 1 . 2]"
75 . 1 46 GLY C 1 47 VAL N 1 47 VAL CA 1 47 VAL C -85.80 -45.80 -64.17 -79.48 -57.73 . . 0 "[ . 1 . 2]"
76 . 1 47 VAL N 1 47 VAL CA 1 47 VAL C 1 48 SER N -64.20 -24.20 -50.02 -49.71 -50.85 . . 0 "[ . 1 . 2]"
77 . 1 47 VAL C 1 48 SER N 1 48 SER CA 1 48 SER C -82.20 -42.20 -54.96 -55.24 -56.05 . . 0 "[ . 1 . 2]"
78 . 1 48 SER N 1 48 SER CA 1 48 SER C 1 49 ARG N -61.60 -21.60 -40.50 -50.91 -32.21 . . 0 "[ . 1 . 2]"
79 . 1 48 SER C 1 49 ARG N 1 49 ARG CA 1 49 ARG C -83.40 -43.40 -61.87 -63.87 -67.11 . . 0 "[ . 1 . 2]"
80 . 1 49 ARG N 1 49 ARG CA 1 49 ARG C 1 50 LEU N -61.50 -21.50 -32.59 -26.12 -29.20 0.34 17 0 "[ . 1 . 2]"
81 . 1 49 ARG C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -86.00 -46.00 -68.30 -80.39 -60.33 . . 0 "[ . 1 . 2]"
82 . 1 50 LEU N 1 50 LEU CA 1 50 LEU C 1 51 LEU N -64.00 -24.00 -42.00 -54.02 -35.87 . . 0 "[ . 1 . 2]"
83 . 1 50 LEU C 1 51 LEU N 1 51 LEU CA 1 51 LEU C -85.60 -45.60 -71.02 -78.32 -62.45 . . 0 "[ . 1 . 2]"
84 . 1 51 LEU N 1 51 LEU CA 1 51 LEU C 1 52 GLU N -60.10 -20.10 -46.62 -45.78 -47.25 0.46 11 0 "[ . 1 . 2]"
85 . 1 51 LEU C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -85.50 -45.50 -50.37 -50.23 -53.00 1.12 9 0 "[ . 1 . 2]"
86 . 1 52 GLU N 1 52 GLU CA 1 52 GLU C 1 53 ALA N -62.70 -22.70 -38.99 -32.10 -32.32 . . 0 "[ . 1 . 2]"
87 . 1 52 GLU C 1 53 ALA N 1 53 ALA CA 1 53 ALA C -101.90 -61.90 -68.84 -91.50 -61.10 0.80 4 0 "[ . 1 . 2]"
88 . 1 53 ALA N 1 53 ALA CA 1 53 ALA C 1 54 ARG N -57.00 -9.80 -50.33 -51.51 -52.84 0.99 16 0 "[ . 1 . 2]"
89 . 1 53 ALA C 1 54 ARG N 1 54 ARG CA 1 54 ARG C -134.40 -87.80 -135.77 -136.38 -136.70 2.48 1 0 "[ . 1 . 2]"
90 . 1 54 ARG N 1 54 ARG CA 1 54 ARG C 1 55 PHE N -28.50 22.70 12.48 9.05 6.18 0.05 8 0 "[ . 1 . 2]"
91 . 1 54 ARG C 1 55 PHE N 1 55 PHE CA 1 55 PHE C -177.90 -85.90 -122.07 -133.58 -90.48 . . 0 "[ . 1 . 2]"
92 . 1 55 PHE N 1 55 PHE CA 1 55 PHE C 1 56 VAL N 114.00 178.80 144.53 138.41 151.63 . . 0 "[ . 1 . 2]"
93 . 1 55 PHE C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -147.40 -90.80 -112.20 -119.02 -106.60 . . 0 "[ . 1 . 2]"
94 . 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 VAL N 102.60 142.60 117.30 118.91 118.09 . . 0 "[ . 1 . 2]"
95 . 1 56 VAL C 1 57 VAL N 1 57 VAL CA 1 57 VAL C -130.90 -87.30 -88.23 -92.23 -86.51 0.79 18 0 "[ . 1 . 2]"
96 . 1 57 VAL N 1 57 VAL CA 1 57 VAL C 1 58 ALA N 100.80 157.60 123.79 116.51 131.76 . . 0 "[ . 1 . 2]"
97 . 1 57 VAL C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -141.50 -90.10 -93.87 -93.96 -94.58 0.89 7 0 "[ . 1 . 2]"
98 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 SER N 118.50 158.50 117.42 117.27 117.14 1.98 17 0 "[ . 1 . 2]"
99 . 1 58 ALA C 1 59 SER N 1 59 SER CA 1 59 SER C -146.40 -79.60 -85.47 -88.15 -90.07 . . 0 "[ . 1 . 2]"
100 . 1 59 SER N 1 59 SER CA 1 59 SER C 1 60 VAL N 103.00 143.00 101.31 101.60 101.41 2.86 13 0 "[ . 1 . 2]"
101 . 1 59 SER C 1 60 VAL N 1 60 VAL CA 1 60 VAL C -161.00 -77.00 -109.07 -111.33 -113.57 . . 0 "[ . 1 . 2]"
102 . 1 60 VAL N 1 60 VAL CA 1 60 VAL C 1 61 SER N 81.00 177.00 119.91 103.09 133.30 . . 0 "[ . 1 . 2]"
103 . 1 60 VAL C 1 61 SER N 1 61 SER CA 1 61 SER C -116.00 -64.00 -98.22 -116.39 -85.84 0.39 18 0 "[ . 1 . 2]"
104 . 1 61 SER N 1 61 SER CA 1 61 SER C 1 62 VAL N 111.00 -165.00 114.12 107.62 132.64 3.38 3 0 "[ . 1 . 2]"
105 . 1 64 THR C 1 65 PRO N 1 65 PRO CA 1 65 PRO C -72.10 -32.10 -52.25 -61.58 -49.07 . . 0 "[ . 1 . 2]"
106 . 1 65 PRO N 1 65 PRO CA 1 65 PRO C 1 66 GLU N -57.10 -17.10 -51.23 -48.33 -49.96 . . 0 "[ . 1 . 2]"
107 . 1 65 PRO C 1 66 GLU N 1 66 GLU CA 1 66 GLU C -83.80 -43.80 -60.89 -74.25 -52.00 . . 0 "[ . 1 . 2]"
108 . 1 66 GLU N 1 66 GLU CA 1 66 GLU C 1 67 GLY N -57.70 -13.50 -40.16 -37.05 -38.62 0.05 10 0 "[ . 1 . 2]"
109 . 1 66 GLU C 1 67 GLY N 1 67 GLY CA 1 67 GLY C -87.40 -47.40 -73.80 -82.47 -68.91 . . 0 "[ . 1 . 2]"
110 . 1 67 GLY N 1 67 GLY CA 1 67 GLY C 1 68 GLN N -60.20 -20.20 -34.92 -40.88 -27.44 . . 0 "[ . 1 . 2]"
111 . 1 67 GLY C 1 68 GLN N 1 68 GLN CA 1 68 GLN C -85.20 -45.20 -62.27 -71.19 -56.02 . . 0 "[ . 1 . 2]"
112 . 1 68 GLN N 1 68 GLN CA 1 68 GLN C 1 69 GLU N -60.40 -20.40 -38.89 -38.00 -39.68 . . 0 "[ . 1 . 2]"
113 . 1 68 GLN C 1 69 GLU N 1 69 GLU CA 1 69 GLU C -86.90 -46.90 -67.61 -66.05 -66.98 . . 0 "[ . 1 . 2]"
114 . 1 69 GLU N 1 69 GLU CA 1 69 GLU C 1 70 LEU N -61.60 -21.60 -42.23 -53.43 -29.05 . . 0 "[ . 1 . 2]"
115 . 1 69 GLU C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -86.80 -46.80 -62.46 -64.38 -65.43 . . 0 "[ . 1 . 2]"
116 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 ALA N -59.10 -19.10 -37.54 -44.19 -29.47 . . 0 "[ . 1 . 2]"
117 . 1 70 LEU C 1 71 ALA N 1 71 ALA CA 1 71 ALA C -82.50 -42.50 -63.75 -67.14 -68.75 . . 0 "[ . 1 . 2]"
118 . 1 71 ALA N 1 71 ALA CA 1 71 ALA C 1 72 ARG N -58.40 -18.40 -40.31 -55.90 -29.22 . . 0 "[ . 1 . 2]"
119 . 1 71 ALA C 1 72 ARG N 1 72 ARG CA 1 72 ARG C -84.90 -44.90 -74.18 -85.17 -61.96 0.27 5 0 "[ . 1 . 2]"
120 . 1 72 ARG N 1 72 ARG CA 1 72 ARG C 1 73 ARG N -60.90 -20.90 -30.71 -34.81 -40.88 1.39 18 0 "[ . 1 . 2]"
121 . 1 72 ARG C 1 73 ARG N 1 73 ARG CA 1 73 ARG C -84.60 -44.60 -70.40 -83.49 -62.30 . . 0 "[ . 1 . 2]"
122 . 1 73 ARG N 1 73 ARG CA 1 73 ARG C 1 74 TYR N -56.00 -16.00 -51.22 -56.27 -56.56 1.38 4 0 "[ . 1 . 2]"
123 . 1 73 ARG C 1 74 TYR N 1 74 TYR CA 1 74 TYR C -110.00 -70.00 -90.21 -86.45 -90.26 . . 0 "[ . 1 . 2]"
124 . 1 74 TYR N 1 74 TYR CA 1 74 TYR C 1 75 ARG N -18.00 22.00 -7.01 -9.09 -10.93 2.91 5 0 "[ . 1 . 2]"
125 . 1 79 THR C 1 80 PRO N 1 80 PRO CA 1 80 PRO C -86.50 -46.50 -82.84 -88.96 -90.09 7.90 8 3 "[ . + 1 -* 2]"
126 . 1 80 PRO N 1 80 PRO CA 1 80 PRO C 1 81 THR N 127.40 171.40 146.52 137.48 132.75 2.98 14 0 "[ . 1 . 2]"
127 . 1 80 PRO C 1 81 THR N 1 81 THR CA 1 81 THR C -159.90 -75.30 -126.83 -142.67 -107.69 . . 0 "[ . 1 . 2]"
128 . 1 81 THR N 1 81 THR CA 1 81 THR C 1 82 PHE N 102.10 161.50 123.39 115.02 110.90 . . 0 "[ . 1 . 2]"
129 . 1 81 THR C 1 82 PHE N 1 82 PHE CA 1 82 PHE C -140.00 -100.00 -113.57 -129.21 -99.87 0.13 20 0 "[ . 1 . 2]"
130 . 1 82 PHE N 1 82 PHE CA 1 82 PHE C 1 83 VAL N 112.70 155.50 114.73 114.08 113.19 1.98 3 0 "[ . 1 . 2]"
131 . 1 82 PHE C 1 83 VAL N 1 83 VAL CA 1 83 VAL C -158.60 -97.40 -115.63 -129.91 -102.95 . . 0 "[ . 1 . 2]"
132 . 1 83 VAL N 1 83 VAL CA 1 83 VAL C 1 84 PHE N 103.50 165.10 116.27 105.43 129.60 . . 0 "[ . 1 . 2]"
133 . 1 83 VAL C 1 84 PHE N 1 84 PHE CA 1 84 PHE C -150.30 -94.10 -98.61 -113.18 -93.10 1.00 4 0 "[ . 1 . 2]"
134 . 1 84 PHE N 1 84 PHE CA 1 84 PHE C 1 85 LEU N 100.20 155.40 121.07 120.07 118.89 . . 0 "[ . 1 . 2]"
135 . 1 84 PHE C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -160.10 -104.50 -114.37 -125.26 -105.52 . . 0 "[ . 1 . 2]"
136 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 VAL N 114.10 -174.10 133.89 126.30 144.87 . . 0 "[ . 1 . 2]"
137 . 1 85 LEU C 1 86 VAL N 1 86 VAL CA 1 86 VAL C -151.80 -110.60 -109.71 -109.15 -109.31 2.32 11 0 "[ . 1 . 2]"
138 . 1 86 VAL N 1 86 VAL CA 1 86 VAL C 1 87 PRO N 76.50 -161.30 127.52 113.54 139.84 . . 0 "[ . 1 . 2]"
139 . 1 86 VAL C 1 87 PRO N 1 87 PRO CA 1 87 PRO C -85.00 -45.00 -76.92 -77.81 -79.04 . . 0 "[ . 1 . 2]"
140 . 1 87 PRO N 1 87 PRO CA 1 87 PRO C 1 88 LYS N 119.20 159.20 117.01 117.88 117.75 4.73 17 0 "[ . 1 . 2]"
141 . 1 87 PRO C 1 88 LYS N 1 88 LYS CA 1 88 LYS C -168.00 -61.80 -146.41 -169.13 -128.18 1.13 13 0 "[ . 1 . 2]"
142 . 1 88 LYS N 1 88 LYS CA 1 88 LYS C 1 89 ALA N 84.50 149.30 131.49 140.76 135.33 2.17 6 0 "[ . 1 . 2]"
143 . 1 91 ALA C 1 92 TRP N 1 92 TRP CA 1 92 TRP C -154.70 -83.10 -100.90 -115.70 -87.33 . . 0 "[ . 1 . 2]"
144 . 1 92 TRP N 1 92 TRP CA 1 92 TRP C 1 93 GLU N 111.60 172.20 135.79 120.77 169.93 . . 0 "[ . 1 . 2]"
145 . 1 92 TRP C 1 93 GLU N 1 93 GLU CA 1 93 GLU C -159.40 -87.00 -114.65 -109.96 -114.04 . . 0 "[ . 1 . 2]"
146 . 1 93 GLU N 1 93 GLU CA 1 93 GLU C 1 94 GLU N 112.50 154.70 125.37 112.14 140.85 0.36 5 0 "[ . 1 . 2]"
147 . 1 93 GLU C 1 94 GLU N 1 94 GLU CA 1 94 GLU C -122.80 -56.60 -80.87 -81.60 -84.34 . . 0 "[ . 1 . 2]"
148 . 1 94 GLU N 1 94 GLU CA 1 94 GLU C 1 95 VAL N 97.00 165.00 102.03 94.96 115.00 2.04 12 0 "[ . 1 . 2]"
149 . 1 96 GLY C 1 97 ARG N 1 97 ARG CA 1 97 ARG C -169.20 -109.20 -122.70 -130.76 -133.37 0.28 9 0 "[ . 1 . 2]"
150 . 1 97 ARG N 1 97 ARG CA 1 97 ARG C 1 98 LEU N 127.70 167.70 130.42 124.76 138.45 2.94 11 0 "[ . 1 . 2]"
151 . 1 97 ARG C 1 98 LEU N 1 98 LEU CA 1 98 LEU C -152.60 -109.00 -116.31 -137.61 -108.03 0.97 13 0 "[ . 1 . 2]"
152 . 1 98 LEU N 1 98 LEU CA 1 98 LEU C 1 99 PHE N 108.00 158.00 135.27 130.72 129.75 . . 0 "[ . 1 . 2]"
153 . 1 98 LEU C 1 99 PHE N 1 99 PHE CA 1 99 PHE C -136.60 -80.80 -134.50 -138.39 -102.58 1.79 5 0 "[ . 1 . 2]"
154 . 1 99 PHE N 1 99 PHE CA 1 99 PHE C 1 100 GLY N 100.10 142.70 136.22 114.46 144.02 1.32 5 0 "[ . 1 . 2]"
155 . 1 102 ARG C 1 103 PRO N 1 103 PRO CA 1 103 PRO C -88.00 -44.00 -61.60 -64.88 -66.69 . . 0 "[ . 1 . 2]"
156 . 1 103 PRO N 1 103 PRO CA 1 103 PRO C 1 104 ARG N 130.00 170.00 158.95 166.19 163.09 2.30 19 0 "[ . 1 . 2]"
157 . 1 103 PRO C 1 104 ARG N 1 104 ARG CA 1 104 ARG C -69.00 -29.00 -57.66 -46.66 -51.23 . . 0 "[ . 1 . 2]"
158 . 1 104 ARG N 1 104 ARG CA 1 104 ARG C 1 105 ALA N -67.00 -27.00 -32.71 -49.05 -25.12 1.88 9 0 "[ . 1 . 2]"
159 . 1 104 ARG C 1 105 ALA N 1 105 ALA CA 1 105 ALA C -79.50 -39.50 -61.73 -79.76 -53.34 0.26 11 0 "[ . 1 . 2]"
160 . 1 105 ALA N 1 105 ALA CA 1 105 ALA C 1 106 GLU N -63.20 -23.20 -43.47 -47.25 -50.78 0.42 19 0 "[ . 1 . 2]"
161 . 1 105 ALA C 1 106 GLU N 1 106 GLU CA 1 106 GLU C -86.90 -46.90 -73.48 -88.99 -64.10 2.09 17 0 "[ . 1 . 2]"
162 . 1 106 GLU N 1 106 GLU CA 1 106 GLU C 1 107 PHE N -62.70 -22.70 -39.81 -54.64 -20.04 2.66 17 0 "[ . 1 . 2]"
163 . 1 106 GLU C 1 107 PHE N 1 107 PHE CA 1 107 PHE C -82.50 -42.50 -62.49 -64.64 -65.02 . . 0 "[ . 1 . 2]"
164 . 1 107 PHE N 1 107 PHE CA 1 107 PHE C 1 108 LEU N -65.80 -25.80 -44.39 -39.37 -42.77 . . 0 "[ . 1 . 2]"
165 . 1 107 PHE C 1 108 LEU N 1 108 LEU CA 1 108 LEU C -80.10 -40.10 -65.26 -63.60 -65.96 . . 0 "[ . 1 . 2]"
166 . 1 108 LEU N 1 108 LEU CA 1 108 LEU C 1 109 LYS N -58.90 -18.90 -34.58 -47.88 -19.16 . . 0 "[ . 1 . 2]"
167 . 1 108 LEU C 1 109 LYS N 1 109 LYS CA 1 109 LYS C -81.30 -41.30 -59.38 -73.16 -52.26 . . 0 "[ . 1 . 2]"
168 . 1 109 LYS N 1 109 LYS CA 1 109 LYS C 1 110 GLU N -63.30 -23.30 -53.61 -44.20 -47.90 . . 0 "[ . 1 . 2]"
169 . 1 109 LYS C 1 110 GLU N 1 110 GLU CA 1 110 GLU C -86.60 -46.60 -67.59 -68.03 -68.91 . . 0 "[ . 1 . 2]"
170 . 1 110 GLU N 1 110 GLU CA 1 110 GLU C 1 111 LEU N -62.00 -22.00 -39.57 -55.56 -28.43 . . 0 "[ . 1 . 2]"
171 . 1 110 GLU C 1 111 LEU N 1 111 LEU CA 1 111 LEU C -85.20 -45.20 -61.07 -59.57 -60.09 . . 0 "[ . 1 . 2]"
172 . 1 111 LEU N 1 111 LEU CA 1 111 LEU C 1 112 ARG N -60.90 -20.90 -38.77 -47.87 -20.90 . . 0 "[ . 1 . 2]"
173 . 1 111 LEU C 1 112 ARG N 1 112 ARG CA 1 112 ARG C -81.60 -41.60 -64.02 -68.50 -78.54 . . 0 "[ . 1 . 2]"
174 . 1 112 ARG N 1 112 ARG CA 1 112 ARG C 1 113 GLN N -60.80 -20.80 -41.46 -49.55 -32.69 . . 0 "[ . 1 . 2]"
175 . 1 112 ARG C 1 113 GLN N 1 113 GLN CA 1 113 GLN C -83.80 -43.80 -66.04 -74.37 -56.31 . . 0 "[ . 1 . 2]"
176 . 1 113 GLN N 1 113 GLN CA 1 113 GLN C 1 114 VAL N -64.50 -24.50 -38.01 -38.96 -43.19 1.46 16 0 "[ . 1 . 2]"
177 . 1 113 GLN C 1 114 VAL N 1 114 VAL CA 1 114 VAL C -84.00 -44.00 -65.67 -56.48 -58.36 . . 0 "[ . 1 . 2]"
178 . 1 114 VAL N 1 114 VAL CA 1 114 VAL C 1 115 CYS N -62.80 -22.80 -39.43 -45.96 -34.53 . . 0 "[ . 1 . 2]"
179 . 1 114 VAL C 1 115 CYS N 1 115 CYS CA 1 115 CYS C -82.20 -42.20 -59.23 -67.12 -54.02 . . 0 "[ . 1 . 2]"
180 . 1 115 CYS N 1 115 CYS CA 1 115 CYS C 1 116 VAL N -60.70 -20.70 -33.24 -35.01 -36.42 . . 0 "[ . 1 . 2]"
181 . 1 115 CYS C 1 116 VAL N 1 116 VAL CA 1 116 VAL C -83.80 -43.80 -76.30 -86.11 -62.74 2.31 14 0 "[ . 1 . 2]"
182 . 1 116 VAL N 1 116 VAL CA 1 116 VAL C 1 117 LYS N -61.30 -21.30 -41.60 -54.48 -30.18 . . 0 "[ . 1 . 2]"
183 . 1 116 VAL C 1 117 LYS N 1 117 LYS CA 1 117 LYS C -84.90 -44.90 -63.84 -75.20 -52.00 . . 0 "[ . 1 . 2]"
184 . 1 117 LYS N 1 117 LYS CA 1 117 LYS C 1 118 GLY N -60.70 -8.70 -23.24 -57.20 -7.41 1.29 20 0 "[ . 1 . 2]"
185 . 1 117 LYS C 1 118 GLY N 1 118 GLY CA 1 118 GLY C -125.20 -38.20 -66.07 -94.65 -50.22 . . 0 "[ . 1 . 2]"
186 . 1 118 GLY N 1 118 GLY CA 1 118 GLY C 1 119 GLY N -41.30 10.90 -29.34 -27.09 -29.87 0.13 9 0 "[ . 1 . 2]"
187 . 1 6 TYR CA 1 6 TYR CB 1 6 TYR CG 1 6 TYR CD1 80.00 100.00 100.63 102.40 101.98 3.89 4 0 "[ . 1 . 2]"
188 . 1 8 TYR CA 1 8 TYR CB 1 8 TYR CG 1 8 TYR CD1 80.00 100.00 79.48 77.86 87.51 2.14 2 0 "[ . 1 . 2]"
189 . 1 25 TYR CA 1 25 TYR CB 1 25 TYR CG 1 25 TYR CD1 80.00 100.00 79.23 76.39 88.25 3.61 17 0 "[ . 1 . 2]"
190 . 1 33 TYR CA 1 33 TYR CB 1 33 TYR CG 1 33 TYR CD1 80.00 100.00 81.18 78.00 96.80 2.00 19 0 "[ . 1 . 2]"
191 . 1 74 TYR CA 1 74 TYR CB 1 74 TYR CG 1 74 TYR CD1 80.00 100.00 88.09 77.38 100.49 2.62 3 0 "[ . 1 . 2]"
192 . 1 26 PHE CA 1 26 PHE CB 1 26 PHE CG 1 26 PHE CD1 80.00 100.00 89.48 78.42 100.02 1.58 17 0 "[ . 1 . 2]"
193 . 1 40 PHE CA 1 40 PHE CB 1 40 PHE CG 1 40 PHE CD1 80.00 100.00 96.47 97.37 97.18 . . 0 "[ . 1 . 2]"
194 . 1 55 PHE CA 1 55 PHE CB 1 55 PHE CG 1 55 PHE CD1 80.00 100.00 84.55 76.27 92.12 3.73 8 0 "[ . 1 . 2]"
195 . 1 82 PHE CA 1 82 PHE CB 1 82 PHE CG 1 82 PHE CD1 80.00 100.00 93.12 84.02 101.17 1.17 17 0 "[ . 1 . 2]"
196 . 1 84 PHE CA 1 84 PHE CB 1 84 PHE CG 1 84 PHE CD1 80.00 100.00 91.19 80.70 100.62 0.62 1 0 "[ . 1 . 2]"
197 . 1 99 PHE CA 1 99 PHE CB 1 99 PHE CG 1 99 PHE CD1 80.00 100.00 77.78 78.93 78.77 3.65 14 0 "[ . 1 . 2]"
198 . 1 107 PHE CA 1 107 PHE CB 1 107 PHE CG 1 107 PHE CD1 80.00 100.00 86.23 80.28 97.29 . . 0 "[ . 1 . 2]"
199 . 1 22 VAL N 1 22 VAL CA 1 22 VAL CB 1 22 VAL CG1 170.00 -170.00 -178.96 174.84 -173.09 . . 0 "[ . 1 . 2]"
200 . 1 24 VAL N 1 24 VAL CA 1 24 VAL CB 1 24 VAL CG1 170.00 -170.00 -174.14 -178.43 -170.01 . . 0 "[ . 1 . 2]"
201 . 1 41 VAL N 1 41 VAL CA 1 41 VAL CB 1 41 VAL CG1 170.00 -170.00 178.13 171.84 -178.82 . . 0 "[ . 1 . 2]"
202 . 1 47 VAL N 1 47 VAL CA 1 47 VAL CB 1 47 VAL CG1 170.00 -170.00 -175.84 -175.92 -177.28 3.15 11 0 "[ . 1 . 2]"
203 . 1 56 VAL N 1 56 VAL CA 1 56 VAL CB 1 56 VAL CG1 170.00 -170.00 -177.31 177.06 -171.19 . . 0 "[ . 1 . 2]"
204 . 1 57 VAL N 1 57 VAL CA 1 57 VAL CB 1 57 VAL CG1 170.00 -170.00 -171.59 -174.27 -169.52 0.48 10 0 "[ . 1 . 2]"
205 . 1 76 VAL N 1 76 VAL CA 1 76 VAL CB 1 76 VAL CG1 170.00 -170.00 179.64 176.82 169.69 1.21 14 0 "[ . 1 . 2]"
206 . 1 83 VAL N 1 83 VAL CA 1 83 VAL CB 1 83 VAL CG1 170.00 -170.00 179.51 177.90 177.90 . . 0 "[ . 1 . 2]"
207 . 1 86 VAL N 1 86 VAL CA 1 86 VAL CB 1 86 VAL CG1 170.00 -170.00 -173.97 -173.02 -175.04 2.25 17 0 "[ . 1 . 2]"
208 . 1 114 VAL N 1 114 VAL CA 1 114 VAL CB 1 114 VAL CG1 170.00 -170.00 174.85 176.53 175.45 0.32 14 0 "[ . 1 . 2]"
209 . 1 116 VAL N 1 116 VAL CA 1 116 VAL CB 1 116 VAL CG1 170.00 -170.00 179.26 174.53 -175.33 . . 0 "[ . 1 . 2]"
210 . 1 42 LEU N 1 42 LEU CA 1 42 LEU CB 1 42 LEU CG 170.00 -170.00 -168.76 -169.47 -169.50 3.21 5 0 "[ . 1 . 2]"
211 . 1 42 LEU CA 1 42 LEU CB 1 42 LEU CG 1 42 LEU CD1 50.00 70.00 56.39 49.25 67.65 0.75 3 0 "[ . 1 . 2]"
212 . 1 50 LEU N 1 50 LEU CA 1 50 LEU CB 1 50 LEU CG -70.00 -50.00 -72.30 -72.49 -72.73 4.34 15 0 "[ . 1 . 2]"
213 . 1 50 LEU CA 1 50 LEU CB 1 50 LEU CG 1 50 LEU CD1 170.00 -170.00 175.43 169.29 -170.24 0.71 17 0 "[ . 1 . 2]"
214 . 1 98 LEU N 1 98 LEU CA 1 98 LEU CB 1 98 LEU CG -70.00 -50.00 -62.47 -61.56 -62.18 . . 0 "[ . 1 . 2]"
215 . 1 98 LEU CA 1 98 LEU CB 1 98 LEU CG 1 98 LEU CD1 170.00 -170.00 177.18 169.23 -175.57 0.77 13 0 "[ . 1 . 2]"
216 . 1 85 LEU N 1 85 LEU CA 1 85 LEU CB 1 85 LEU CG -70.00 -50.00 -56.71 -57.40 -59.29 . . 0 "[ . 1 . 2]"
217 . 1 85 LEU CA 1 85 LEU CB 1 85 LEU CG 1 85 LEU CD1 170.00 -170.00 -170.65 -177.49 -168.48 1.52 20 0 "[ . 1 . 2]"
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