NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
496623 |
2l8v   |
17429 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2l8v
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 194
_TA_constraint_stats_list.Viol_count 221
_TA_constraint_stats_list.Viol_total 3925.10
_TA_constraint_stats_list.Viol_max 4.96
_TA_constraint_stats_list.Viol_rms 0.28
_TA_constraint_stats_list.Viol_average_all_restraints 0.05
_TA_constraint_stats_list.Viol_average_violations_only 0.89
_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 PRO N 1 2 PRO CA 1 2 PRO C -98.10 -38.10 -73.13 -93.61 -53.37 . . 0 "[ . 1 . 2]"
2 . 1 2 PRO N 1 2 PRO CA 1 2 PRO C 1 3 VAL N 116.30 176.30 152.58 116.13 179.36 3.06 14 0 "[ . 1 . 2]"
3 . 1 2 PRO C 1 3 VAL N 1 3 VAL CA 1 3 VAL C -135.80 -54.80 -80.00 -84.69 -88.08 0.68 20 0 "[ . 1 . 2]"
4 . 1 3 VAL N 1 3 VAL CA 1 3 VAL C 1 4 GLU N 99.70 160.10 108.84 97.89 127.02 1.81 14 0 "[ . 1 . 2]"
5 . 1 3 VAL C 1 4 GLU N 1 4 GLU CA 1 4 GLU C -139.80 -99.80 -124.78 -125.86 -131.90 0.66 5 0 "[ . 1 . 2]"
6 . 1 4 GLU N 1 4 GLU CA 1 4 GLU C 1 5 LEU N 117.90 157.90 147.96 153.04 151.54 1.00 12 0 "[ . 1 . 2]"
7 . 1 4 GLU C 1 5 LEU N 1 5 LEU CA 1 5 LEU C -135.60 -85.20 -101.79 -127.67 -84.20 1.00 6 0 "[ . 1 . 2]"
8 . 1 5 LEU N 1 5 LEU CA 1 5 LEU C 1 6 ARG N 100.70 143.30 109.95 95.74 143.62 4.96 10 0 "[ . 1 . 2]"
9 . 1 5 LEU C 1 6 ARG N 1 6 ARG CA 1 6 ARG C -144.30 -51.90 -90.16 -85.36 -89.52 . . 0 "[ . 1 . 2]"
10 . 1 6 ARG N 1 6 ARG CA 1 6 ARG C 1 7 ALA N 100.30 -150.90 157.16 161.92 160.17 1.34 10 0 "[ . 1 . 2]"
11 . 1 8 ASN C 1 9 TRP N 1 9 TRP CA 1 9 TRP C -168.00 -51.60 -97.80 -115.20 -118.61 2.23 4 0 "[ . 1 . 2]"
12 . 1 9 TRP N 1 9 TRP CA 1 9 TRP C 1 10 SER N 106.50 -175.50 156.87 162.27 160.36 . . 0 "[ . 1 . 2]"
13 . 1 9 TRP C 1 10 SER N 1 10 SER CA 1 10 SER C -150.30 -44.50 -115.73 -151.22 -86.64 0.92 10 0 "[ . 1 . 2]"
14 . 1 10 SER N 1 10 SER CA 1 10 SER C 1 11 GLU N 143.10 -172.10 168.77 159.03 155.62 . . 0 "[ . 1 . 2]"
15 . 1 10 SER C 1 11 GLU N 1 11 GLU CA 1 11 GLU C -81.40 -41.40 -59.10 -67.17 -53.75 . . 0 "[ . 1 . 2]"
16 . 1 11 GLU N 1 11 GLU CA 1 11 GLU C 1 12 GLU N -58.70 -18.70 -41.71 -24.73 -33.51 . . 0 "[ . 1 . 2]"
17 . 1 11 GLU C 1 12 GLU N 1 12 GLU CA 1 12 GLU C -84.40 -44.40 -63.30 -74.56 -56.05 . . 0 "[ . 1 . 2]"
18 . 1 12 GLU N 1 12 GLU CA 1 12 GLU C 1 13 ASP N -60.70 -20.70 -40.31 -50.59 -25.16 . . 0 "[ . 1 . 2]"
19 . 1 12 GLU C 1 13 ASP N 1 13 ASP CA 1 13 ASP C -85.50 -45.50 -65.30 -67.75 -67.91 . . 0 "[ . 1 . 2]"
20 . 1 13 ASP N 1 13 ASP CA 1 13 ASP C 1 14 LEU N -62.60 -22.60 -45.94 -43.44 -44.68 . . 0 "[ . 1 . 2]"
21 . 1 13 ASP C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -82.40 -42.40 -60.90 -64.12 -66.95 . . 0 "[ . 1 . 2]"
22 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 GLU N -62.50 -22.50 -44.79 -51.88 -37.12 . . 0 "[ . 1 . 2]"
23 . 1 14 LEU C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -85.80 -45.80 -59.46 -66.10 -52.99 . . 0 "[ . 1 . 2]"
24 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 THR N -57.40 -17.40 -39.78 -57.20 -28.17 . . 0 "[ . 1 . 2]"
25 . 1 15 GLU C 1 16 THR N 1 16 THR CA 1 16 THR C -84.90 -44.90 -62.24 -63.20 -64.30 . . 0 "[ . 1 . 2]"
26 . 1 16 THR N 1 16 THR CA 1 16 THR C 1 17 VAL N -60.30 -20.30 -41.76 -47.73 -37.65 . . 0 "[ . 1 . 2]"
27 . 1 16 THR C 1 17 VAL N 1 17 VAL CA 1 17 VAL C -86.30 -46.30 -63.19 -69.81 -59.03 . . 0 "[ . 1 . 2]"
28 . 1 17 VAL N 1 17 VAL CA 1 17 VAL C 1 18 ILE N -63.90 -23.90 -51.21 -47.79 -49.45 . . 0 "[ . 1 . 2]"
29 . 1 17 VAL C 1 18 ILE N 1 18 ILE CA 1 18 ILE C -83.00 -43.00 -61.18 -55.13 -56.70 . . 0 "[ . 1 . 2]"
30 . 1 18 ILE N 1 18 ILE CA 1 18 ILE C 1 19 ARG N -63.10 -23.10 -43.28 -59.03 -27.39 . . 0 "[ . 1 . 2]"
31 . 1 18 ILE C 1 19 ARG N 1 19 ARG CA 1 19 ARG C -80.00 -40.00 -66.94 -72.49 -75.41 . . 0 "[ . 1 . 2]"
32 . 1 19 ARG N 1 19 ARG CA 1 19 ARG C 1 20 ALA N -60.70 -20.70 -29.88 -39.34 -19.97 0.73 1 0 "[ . 1 . 2]"
33 . 1 19 ARG C 1 20 ALA N 1 20 ALA CA 1 20 ALA C -85.20 -45.20 -71.16 -77.46 -78.83 . . 0 "[ . 1 . 2]"
34 . 1 20 ALA N 1 20 ALA CA 1 20 ALA C 1 21 VAL N -60.40 -20.40 -35.70 -49.13 -29.44 . . 0 "[ . 1 . 2]"
35 . 1 20 ALA C 1 21 VAL N 1 21 VAL CA 1 21 VAL C -88.10 -46.50 -73.59 -80.12 -83.88 0.26 5 0 "[ . 1 . 2]"
36 . 1 21 VAL N 1 21 VAL CA 1 21 VAL C 1 22 TYR N -61.40 -19.40 -46.12 -61.43 -32.79 0.03 14 0 "[ . 1 . 2]"
37 . 1 37 LEU C 1 38 VAL N 1 38 VAL CA 1 38 VAL C -82.80 -42.60 -61.16 -67.85 -55.02 . . 0 "[ . 1 . 2]"
38 . 1 38 VAL N 1 38 VAL CA 1 38 VAL C 1 39 SER N -60.90 -16.50 -31.08 -28.90 -31.95 . . 0 "[ . 1 . 2]"
39 . 1 38 VAL C 1 39 SER N 1 39 SER CA 1 39 SER C -89.60 -49.60 -64.48 -69.06 -76.04 . . 0 "[ . 1 . 2]"
40 . 1 39 SER N 1 39 SER CA 1 39 SER C 1 40 ALA N -57.40 -17.40 -44.20 -57.57 -34.64 0.17 5 0 "[ . 1 . 2]"
41 . 1 39 SER C 1 40 ALA N 1 40 ALA CA 1 40 ALA C -84.60 -44.60 -66.51 -73.93 -61.01 . . 0 "[ . 1 . 2]"
42 . 1 40 ALA N 1 40 ALA CA 1 40 ALA C 1 41 GLU N -61.50 -21.50 -42.11 -40.63 -41.67 . . 0 "[ . 1 . 2]"
43 . 1 40 ALA C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -81.30 -41.30 -60.78 -68.97 -52.99 . . 0 "[ . 1 . 2]"
44 . 1 41 GLU N 1 41 GLU CA 1 41 GLU C 1 42 SER N -63.40 -23.40 -43.47 -46.32 -48.78 . . 0 "[ . 1 . 2]"
45 . 1 41 GLU C 1 42 SER N 1 42 SER CA 1 42 SER C -82.90 -42.90 -65.81 -76.74 -58.47 . . 0 "[ . 1 . 2]"
46 . 1 42 SER N 1 42 SER CA 1 42 SER C 1 43 LEU N -64.40 -24.40 -41.02 -49.18 -30.40 . . 0 "[ . 1 . 2]"
47 . 1 42 SER C 1 43 LEU N 1 43 LEU CA 1 43 LEU C -84.50 -44.50 -62.68 -63.98 -66.34 . . 0 "[ . 1 . 2]"
48 . 1 43 LEU N 1 43 LEU CA 1 43 LEU C 1 44 LEU N -61.50 -21.50 -39.09 -37.65 -38.29 . . 0 "[ . 1 . 2]"
49 . 1 43 LEU C 1 44 LEU N 1 44 LEU CA 1 44 LEU C -82.90 -42.90 -71.63 -84.12 -61.81 1.22 4 0 "[ . 1 . 2]"
50 . 1 44 LEU N 1 44 LEU CA 1 44 LEU C 1 45 ARG N -62.10 -22.10 -40.52 -49.02 -34.38 . . 0 "[ . 1 . 2]"
51 . 1 44 LEU C 1 45 ARG N 1 45 ARG CA 1 45 ARG C -83.30 -43.30 -65.06 -69.67 -69.84 . . 0 "[ . 1 . 2]"
52 . 1 45 ARG N 1 45 ARG CA 1 45 ARG C 1 46 ASN N -56.60 -16.60 -32.90 -46.64 -18.62 . . 0 "[ . 1 . 2]"
53 . 1 45 ARG C 1 46 ASN N 1 46 ASN CA 1 46 ASN C -121.80 -59.40 -85.55 -85.29 -91.05 . . 0 "[ . 1 . 2]"
54 . 1 46 ASN N 1 46 ASN CA 1 46 ASN C 1 47 GLY N -31.40 28.60 -8.58 -31.89 10.29 0.49 3 0 "[ . 1 . 2]"
55 . 1 46 ASN C 1 47 GLY N 1 47 GLY CA 1 47 GLY C 41.40 100.80 75.83 75.85 71.32 . . 0 "[ . 1 . 2]"
56 . 1 47 GLY N 1 47 GLY CA 1 47 GLY C 1 48 LYS N -8.80 54.00 33.29 49.10 42.44 0.28 2 0 "[ . 1 . 2]"
57 . 1 47 GLY C 1 48 LYS N 1 48 LYS CA 1 48 LYS C -140.80 -52.60 -91.51 -116.44 -71.17 . . 0 "[ . 1 . 2]"
58 . 1 48 LYS N 1 48 LYS CA 1 48 LYS C 1 49 ILE N -47.60 32.60 -34.91 -48.72 -5.09 1.12 4 0 "[ . 1 . 2]"
59 . 1 48 LYS C 1 49 ILE N 1 49 ILE CA 1 49 ILE C -158.20 -85.00 -116.48 -135.90 -96.53 . . 0 "[ . 1 . 2]"
60 . 1 49 ILE N 1 49 ILE CA 1 49 ILE C 1 50 THR N 149.40 -170.60 162.33 155.35 153.99 . . 0 "[ . 1 . 2]"
61 . 1 49 ILE C 1 50 THR N 1 50 THR CA 1 50 THR C -146.70 -46.30 -92.17 -107.28 -76.37 . . 0 "[ . 1 . 2]"
62 . 1 50 THR N 1 50 THR CA 1 50 THR C 1 51 VAL N 134.00 -165.40 173.65 168.43 165.35 . . 0 "[ . 1 . 2]"
63 . 1 50 THR C 1 51 VAL N 1 51 VAL CA 1 51 VAL C -83.80 -41.60 -65.36 -77.55 -58.56 . . 0 "[ . 1 . 2]"
64 . 1 51 VAL N 1 51 VAL CA 1 51 VAL C 1 52 ARG N -62.30 -6.50 -33.05 -41.32 -26.83 . . 0 "[ . 1 . 2]"
65 . 1 51 VAL C 1 52 ARG N 1 52 ARG CA 1 52 ARG C -83.20 -43.20 -57.03 -68.70 -48.55 . . 0 "[ . 1 . 2]"
66 . 1 52 ARG N 1 52 ARG CA 1 52 ARG C 1 53 GLU N -65.10 -25.10 -45.86 -44.60 -47.40 . . 0 "[ . 1 . 2]"
67 . 1 52 ARG C 1 53 GLU N 1 53 GLU CA 1 53 GLU C -87.20 -47.20 -69.28 -63.47 -66.12 . . 0 "[ . 1 . 2]"
68 . 1 53 GLU N 1 53 GLU CA 1 53 GLU C 1 54 PHE N -58.40 -18.40 -37.28 -44.68 -26.29 . . 0 "[ . 1 . 2]"
69 . 1 53 GLU C 1 54 PHE N 1 54 PHE CA 1 54 PHE C -104.30 -36.90 -62.10 -66.33 -66.37 . . 0 "[ . 1 . 2]"
70 . 1 54 PHE N 1 54 PHE CA 1 54 PHE C 1 55 VAL N -60.50 -17.30 -48.82 -54.79 -37.97 . . 0 "[ . 1 . 2]"
71 . 1 54 PHE C 1 55 VAL N 1 55 VAL CA 1 55 VAL C -81.90 -41.90 -61.38 -66.57 -57.46 . . 0 "[ . 1 . 2]"
72 . 1 55 VAL N 1 55 VAL CA 1 55 VAL C 1 56 ARG N -62.50 -22.50 -40.81 -47.16 -32.33 . . 0 "[ . 1 . 2]"
73 . 1 55 VAL C 1 56 ARG N 1 56 ARG CA 1 56 ARG C -79.10 -39.10 -57.10 -52.29 -54.60 . . 0 "[ . 1 . 2]"
74 . 1 56 ARG N 1 56 ARG CA 1 56 ARG C 1 57 ALA N -67.10 -27.10 -47.82 -56.62 -39.04 . . 0 "[ . 1 . 2]"
75 . 1 56 ARG C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -82.00 -42.00 -61.82 -71.88 -55.13 . . 0 "[ . 1 . 2]"
76 . 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 VAL N -61.00 -21.00 -45.95 -55.97 -34.23 . . 0 "[ . 1 . 2]"
77 . 1 57 ALA C 1 58 VAL N 1 58 VAL CA 1 58 VAL C -85.60 -45.60 -66.89 -69.81 -70.82 . . 0 "[ . 1 . 2]"
78 . 1 58 VAL N 1 58 VAL CA 1 58 VAL C 1 59 ALA N -59.10 -19.10 -39.67 -35.06 -36.63 1.23 4 0 "[ . 1 . 2]"
79 . 1 58 VAL C 1 59 ALA N 1 59 ALA CA 1 59 ALA C -86.50 -46.50 -68.59 -87.59 -56.34 1.09 4 0 "[ . 1 . 2]"
80 . 1 59 ALA N 1 59 ALA CA 1 59 ALA C 1 60 LYS N -52.90 -2.90 -34.35 -52.60 -11.05 . . 0 "[ . 1 . 2]"
81 . 1 59 ALA C 1 60 LYS N 1 60 LYS CA 1 60 LYS C -134.20 -65.80 -96.77 -107.37 -113.11 . . 0 "[ . 1 . 2]"
82 . 1 60 LYS N 1 60 LYS CA 1 60 LYS C 1 61 SER N -24.60 15.40 8.48 -26.95 17.34 2.35 5 0 "[ . 1 . 2]"
83 . 1 73 PHE C 1 74 GLN N 1 74 GLN CA 1 74 GLN C -82.40 -42.40 -65.86 -52.09 -56.74 1.54 16 0 "[ . 1 . 2]"
84 . 1 74 GLN N 1 74 GLN CA 1 74 GLN C 1 75 THR N -66.70 -26.70 -29.47 -39.64 -41.70 4.50 18 0 "[ . 1 . 2]"
85 . 1 74 GLN C 1 75 THR N 1 75 THR CA 1 75 THR C -81.50 -41.50 -58.29 -58.48 -58.97 . . 0 "[ . 1 . 2]"
86 . 1 75 THR N 1 75 THR CA 1 75 THR C 1 76 ARG N -60.10 -20.10 -38.82 -41.48 -43.45 0.40 16 0 "[ . 1 . 2]"
87 . 1 75 THR C 1 76 ARG N 1 76 ARG CA 1 76 ARG C -86.50 -46.50 -67.83 -83.84 -53.84 . . 0 "[ . 1 . 2]"
88 . 1 76 ARG N 1 76 ARG CA 1 76 ARG C 1 77 VAL N -61.50 -21.50 -32.08 -29.41 -31.37 0.29 4 0 "[ . 1 . 2]"
89 . 1 76 ARG C 1 77 VAL N 1 77 VAL CA 1 77 VAL C -82.20 -42.20 -65.84 -75.64 -59.22 . . 0 "[ . 1 . 2]"
90 . 1 77 VAL N 1 77 VAL CA 1 77 VAL C 1 78 ILE N -65.40 -25.40 -40.73 -40.61 -43.40 . . 0 "[ . 1 . 2]"
91 . 1 77 VAL C 1 78 ILE N 1 78 ILE CA 1 78 ILE C -85.10 -45.10 -62.58 -66.66 -55.90 . . 0 "[ . 1 . 2]"
92 . 1 78 ILE N 1 78 ILE CA 1 78 ILE C 1 79 GLU N -61.80 -21.80 -43.41 -54.04 -35.50 . . 0 "[ . 1 . 2]"
93 . 1 78 ILE C 1 79 GLU N 1 79 GLU CA 1 79 GLU C -83.20 -43.20 -60.60 -61.01 -61.90 . . 0 "[ . 1 . 2]"
94 . 1 79 GLU N 1 79 GLU CA 1 79 GLU C 1 80 LEU N -61.30 -21.30 -39.18 -36.51 -36.99 . . 0 "[ . 1 . 2]"
95 . 1 79 GLU C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -86.10 -46.10 -61.77 -79.92 -52.31 . . 0 "[ . 1 . 2]"
96 . 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 ASN N -63.20 -23.20 -49.88 -48.87 -50.26 . . 0 "[ . 1 . 2]"
97 . 1 80 LEU C 1 81 ASN N 1 81 ASN CA 1 81 ASN C -82.90 -42.90 -63.27 -81.17 -52.59 . . 0 "[ . 1 . 2]"
98 . 1 81 ASN N 1 81 ASN CA 1 81 ASN C 1 82 TYR N -61.20 -21.20 -44.67 -28.21 -36.16 0.29 4 0 "[ . 1 . 2]"
99 . 1 81 ASN C 1 82 TYR N 1 82 TYR CA 1 82 TYR C -81.50 -41.50 -62.22 -80.82 -54.85 . . 0 "[ . 1 . 2]"
100 . 1 82 TYR N 1 82 TYR CA 1 82 TYR C 1 83 LYS N -61.50 -21.50 -42.43 -45.78 -48.18 1.71 12 0 "[ . 1 . 2]"
101 . 1 82 TYR C 1 83 LYS N 1 83 LYS CA 1 83 LYS C -82.90 -42.90 -71.84 -83.11 -58.96 0.21 4 0 "[ . 1 . 2]"
102 . 1 83 LYS N 1 83 LYS CA 1 83 LYS C 1 84 HIS N -55.40 -15.40 -27.62 -17.77 -19.10 0.63 4 0 "[ . 1 . 2]"
103 . 1 83 LYS C 1 84 HIS N 1 84 HIS CA 1 84 HIS C -94.40 -53.60 -87.87 -74.73 -81.29 1.25 17 0 "[ . 1 . 2]"
104 . 1 84 HIS N 1 84 HIS CA 1 84 HIS C 1 85 LEU N -63.80 -5.60 -33.08 -53.71 -18.52 . . 0 "[ . 1 . 2]"
105 . 1 84 HIS C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -100.60 -36.80 -94.85 -101.35 -101.89 3.68 4 0 "[ . 1 . 2]"
106 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 LEU N -52.90 -12.30 -40.51 -53.94 -16.60 1.04 15 0 "[ . 1 . 2]"
107 . 1 85 LEU C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -125.50 -74.30 -104.24 -112.02 -112.31 . . 0 "[ . 1 . 2]"
108 . 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 GLY N -45.50 29.30 -13.13 -7.03 -10.50 . . 0 "[ . 1 . 2]"
109 . 1 86 LEU C 1 87 GLY N 1 87 GLY CA 1 87 GLY C 48.00 88.00 71.18 58.56 86.53 . . 0 "[ . 1 . 2]"
110 . 1 87 GLY N 1 87 GLY CA 1 87 GLY C 1 88 ARG N 15.30 59.90 24.45 27.01 22.25 1.56 17 0 "[ . 1 . 2]"
111 . 1 88 ARG C 1 89 ALA N 1 89 ALA CA 1 89 ALA C -151.30 -54.90 -90.28 -130.17 -61.47 . . 0 "[ . 1 . 2]"
112 . 1 89 ALA N 1 89 ALA CA 1 89 ALA C 1 90 PRO N 45.00 -175.00 150.89 114.66 160.18 . . 0 "[ . 1 . 2]"
113 . 1 89 ALA C 1 90 PRO N 1 90 PRO CA 1 90 PRO C -84.80 -37.20 -52.85 -54.54 -55.05 0.30 15 0 "[ . 1 . 2]"
114 . 1 90 PRO N 1 90 PRO CA 1 90 PRO C 1 91 TYR N 86.00 -134.00 129.64 95.75 177.79 . . 0 "[ . 1 . 2]"
115 . 1 90 PRO C 1 91 TYR N 1 91 TYR CA 1 91 TYR C -123.80 -69.40 -84.68 -90.18 -97.61 0.84 6 0 "[ . 1 . 2]"
116 . 1 91 TYR N 1 91 TYR CA 1 91 TYR C 1 92 ASP N -59.10 -6.50 -41.17 -59.90 -21.07 0.80 7 0 "[ . 1 . 2]"
117 . 1 91 TYR C 1 92 ASP N 1 92 ASP CA 1 92 ASP C 177.20 -118.40 -129.95 -137.09 -142.51 0.90 10 0 "[ . 1 . 2]"
118 . 1 92 ASP N 1 92 ASP CA 1 92 ASP C 1 93 GLU N 137.70 -158.90 160.14 177.56 168.40 . . 0 "[ . 1 . 2]"
119 . 1 92 ASP C 1 93 GLU N 1 93 GLU CA 1 93 GLU C -87.00 -47.00 -70.52 -87.28 -51.21 0.28 2 0 "[ . 1 . 2]"
120 . 1 93 GLU N 1 93 GLU CA 1 93 GLU C 1 94 SER N -57.30 -7.90 -28.48 -18.54 -21.28 . . 0 "[ . 1 . 2]"
121 . 1 93 GLU C 1 94 SER N 1 94 SER CA 1 94 SER C -91.60 -51.60 -61.98 -70.52 -54.07 . . 0 "[ . 1 . 2]"
122 . 1 94 SER N 1 94 SER CA 1 94 SER C 1 95 GLU N -53.90 -13.90 -36.26 -39.03 -40.55 . . 0 "[ . 1 . 2]"
123 . 1 94 SER C 1 95 GLU N 1 95 GLU CA 1 95 GLU C -84.40 -44.40 -62.41 -60.07 -61.28 . . 0 "[ . 1 . 2]"
124 . 1 95 GLU N 1 95 GLU CA 1 95 GLU C 1 96 VAL N -60.70 -20.70 -42.32 -38.34 -39.61 . . 0 "[ . 1 . 2]"
125 . 1 95 GLU C 1 96 VAL N 1 96 VAL CA 1 96 VAL C -84.00 -44.00 -62.88 -70.46 -52.65 . . 0 "[ . 1 . 2]"
126 . 1 96 VAL N 1 96 VAL CA 1 96 VAL C 1 97 ILE N -64.10 -24.10 -48.42 -57.08 -41.34 . . 0 "[ . 1 . 2]"
127 . 1 96 VAL C 1 97 ILE N 1 97 ILE CA 1 97 ILE C -85.10 -45.10 -58.73 -54.77 -56.02 . . 0 "[ . 1 . 2]"
128 . 1 97 ILE N 1 97 ILE CA 1 97 ILE C 1 98 PHE N -63.60 -23.60 -43.11 -51.18 -36.99 . . 0 "[ . 1 . 2]"
129 . 1 97 ILE C 1 98 PHE N 1 98 PHE CA 1 98 PHE C -83.20 -43.20 -59.34 -59.21 -60.38 . . 0 "[ . 1 . 2]"
130 . 1 98 PHE N 1 98 PHE CA 1 98 PHE C 1 99 HIS N -60.20 -20.20 -44.59 -42.97 -43.61 . . 0 "[ . 1 . 2]"
131 . 1 98 PHE C 1 99 HIS N 1 99 HIS CA 1 99 HIS C -87.10 -47.10 -71.78 -82.43 -57.92 . . 0 "[ . 1 . 2]"
132 . 1 99 HIS N 1 99 HIS CA 1 99 HIS C 1 100 LEU N -59.10 -19.10 -33.41 -50.49 -16.42 2.68 12 0 "[ . 1 . 2]"
133 . 1 99 HIS C 1 100 LEU N 1 100 LEU CA 1 100 LEU C -84.70 -44.70 -60.32 -61.25 -61.98 . . 0 "[ . 1 . 2]"
134 . 1 100 LEU N 1 100 LEU CA 1 100 LEU C 1 101 ASP N -65.10 -25.10 -47.70 -53.58 -40.38 . . 0 "[ . 1 . 2]"
135 . 1 100 LEU C 1 101 ASP N 1 101 ASP CA 1 101 ASP C -83.20 -43.20 -62.87 -68.25 -55.54 . . 0 "[ . 1 . 2]"
136 . 1 101 ASP N 1 101 ASP CA 1 101 ASP C 1 102 LEU N -60.90 -20.90 -44.51 -38.79 -40.25 . . 0 "[ . 1 . 2]"
137 . 1 101 ASP C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -83.00 -43.00 -61.17 -63.15 -64.09 . . 0 "[ . 1 . 2]"
138 . 1 102 LEU N 1 102 LEU CA 1 102 LEU C 1 103 TYR N -65.00 -25.00 -44.35 -50.33 -35.27 . . 0 "[ . 1 . 2]"
139 . 1 102 LEU C 1 103 TYR N 1 103 TYR CA 1 103 TYR C -82.90 -42.90 -60.72 -61.99 -62.68 . . 0 "[ . 1 . 2]"
140 . 1 103 TYR N 1 103 TYR CA 1 103 TYR C 1 104 GLU N -71.70 -11.70 -43.78 -55.75 -31.54 . . 0 "[ . 1 . 2]"
141 . 1 103 TYR C 1 104 GLU N 1 104 GLU CA 1 104 GLU C -108.50 -25.90 -73.71 -64.71 -67.75 . . 0 "[ . 1 . 2]"
142 . 1 104 GLU N 1 104 GLU CA 1 104 GLU C 1 105 ASN N -58.90 -18.90 -33.13 -52.61 -16.59 2.31 10 0 "[ . 1 . 2]"
143 . 1 104 GLU C 1 105 ASN N 1 105 ASN CA 1 105 ASN C -116.10 -42.90 -82.21 -100.51 -66.97 . . 0 "[ . 1 . 2]"
144 . 1 105 ASN N 1 105 ASN CA 1 105 ASN C 1 106 GLU N -57.50 -7.10 -55.70 -51.65 -52.82 1.60 19 0 "[ . 1 . 2]"
145 . 1 105 ASN C 1 106 GLU N 1 106 GLU CA 1 106 GLU C -134.30 -65.30 -102.21 -105.90 -112.82 . . 0 "[ . 1 . 2]"
146 . 1 106 GLU N 1 106 GLU CA 1 106 GLU C 1 107 GLY N -35.60 7.60 -34.54 -35.95 -36.12 2.33 16 0 "[ . 1 . 2]"
147 . 1 107 GLY C 1 108 PHE N 1 108 PHE CA 1 108 PHE C -77.20 -37.20 -67.95 -78.04 -58.05 0.84 2 0 "[ . 1 . 2]"
148 . 1 108 PHE N 1 108 PHE CA 1 108 PHE C 1 109 ASP N -60.90 -20.90 -32.09 -31.04 -33.00 0.94 7 0 "[ . 1 . 2]"
149 . 1 108 PHE C 1 109 ASP N 1 109 ASP CA 1 109 ASP C -80.70 -40.70 -62.91 -74.94 -53.78 . . 0 "[ . 1 . 2]"
150 . 1 109 ASP N 1 109 ASP CA 1 109 ASP C 1 110 ALA N -60.10 -20.10 -39.95 -40.64 -44.23 . . 0 "[ . 1 . 2]"
151 . 1 109 ASP C 1 110 ALA N 1 110 ALA CA 1 110 ALA C -82.80 -42.80 -72.13 -82.87 -59.74 0.07 2 0 "[ . 1 . 2]"
152 . 1 110 ALA N 1 110 ALA CA 1 110 ALA C 1 111 ASP N -59.80 -19.80 -35.53 -25.40 -28.63 . . 0 "[ . 1 . 2]"
153 . 1 110 ALA C 1 111 ASP N 1 111 ASP CA 1 111 ASP C -85.20 -45.20 -60.76 -69.00 -47.67 . . 0 "[ . 1 . 2]"
154 . 1 111 ASP N 1 111 ASP CA 1 111 ASP C 1 112 ILE N -66.10 -26.10 -47.94 -47.60 -48.59 . . 0 "[ . 1 . 2]"
155 . 1 111 ASP C 1 112 ILE N 1 112 ILE CA 1 112 ILE C -87.30 -47.30 -63.26 -77.45 -51.66 . . 0 "[ . 1 . 2]"
156 . 1 112 ILE N 1 112 ILE CA 1 112 ILE C 1 113 ASP N -66.50 -8.70 -38.29 -38.97 -40.27 . . 0 "[ . 1 . 2]"
157 . 1 112 ILE C 1 113 ASP N 1 113 ASP CA 1 113 ASP C -80.10 -40.10 -65.25 -72.63 -56.78 . . 0 "[ . 1 . 2]"
158 . 1 113 ASP N 1 113 ASP CA 1 113 ASP C 1 114 SER N -61.70 -21.70 -28.25 -40.63 -18.55 3.15 7 0 "[ . 1 . 2]"
159 . 1 113 ASP C 1 114 SER N 1 114 SER CA 1 114 SER C -82.30 -42.30 -58.29 -59.49 -61.31 . . 0 "[ . 1 . 2]"
160 . 1 114 SER N 1 114 SER CA 1 114 SER C 1 115 TYR N -62.10 -22.10 -37.73 -33.28 -34.04 . . 0 "[ . 1 . 2]"
161 . 1 114 SER C 1 115 TYR N 1 115 TYR CA 1 115 TYR C -86.60 -46.60 -69.59 -69.12 -73.39 1.73 19 0 "[ . 1 . 2]"
162 . 1 115 TYR N 1 115 TYR CA 1 115 TYR C 1 116 ILE N -56.50 -3.30 -37.48 -55.14 -10.19 . . 0 "[ . 1 . 2]"
163 . 1 115 TYR C 1 116 ILE N 1 116 ILE CA 1 116 ILE C -92.50 -49.10 -79.66 -85.16 -89.33 0.86 11 0 "[ . 1 . 2]"
164 . 1 116 ILE N 1 116 ILE CA 1 116 ILE C 1 117 ASP N -68.70 -9.90 -28.90 -47.05 -57.82 . . 0 "[ . 1 . 2]"
165 . 1 116 ILE C 1 117 ASP N 1 117 ASP CA 1 117 ASP C -116.20 -76.20 -81.10 -107.35 -74.87 1.33 6 0 "[ . 1 . 2]"
166 . 1 117 ASP N 1 117 ASP CA 1 117 ASP C 1 118 SER N -30.00 16.80 -15.39 -5.95 -8.70 0.64 20 0 "[ . 1 . 2]"
167 . 1 117 ASP C 1 118 SER N 1 118 SER CA 1 118 SER C -120.30 -33.70 -82.04 -114.18 -50.09 . . 0 "[ . 1 . 2]"
168 . 1 118 SER N 1 118 SER CA 1 118 SER C 1 119 PRO N 74.50 -178.30 106.52 80.04 132.68 . . 0 "[ . 1 . 2]"
169 . 1 118 SER C 1 119 PRO N 1 119 PRO CA 1 119 PRO C -73.00 -33.00 -64.01 -63.63 -64.17 0.64 17 0 "[ . 1 . 2]"
170 . 1 119 PRO N 1 119 PRO CA 1 119 PRO C 1 120 GLU N -55.40 -15.40 -43.89 -52.34 -53.79 0.55 12 0 "[ . 1 . 2]"
171 . 1 119 PRO C 1 120 GLU N 1 120 GLU CA 1 120 GLU C -87.40 -47.40 -61.59 -66.62 -70.12 . . 0 "[ . 1 . 2]"
172 . 1 120 GLU N 1 120 GLU CA 1 120 GLU C 1 121 TYR N -58.00 -18.00 -44.87 -58.13 -26.72 0.13 20 0 "[ . 1 . 2]"
173 . 1 120 GLU C 1 121 TYR N 1 121 TYR CA 1 121 TYR C -82.60 -42.60 -67.67 -69.27 -70.26 . . 0 "[ . 1 . 2]"
174 . 1 121 TYR N 1 121 TYR CA 1 121 TYR C 1 122 THR N -62.50 -22.50 -39.30 -34.94 -38.02 0.09 2 0 "[ . 1 . 2]"
175 . 1 121 TYR C 1 122 THR N 1 122 THR CA 1 122 THR C -85.90 -45.90 -66.89 -83.30 -56.46 . . 0 "[ . 1 . 2]"
176 . 1 122 THR N 1 122 THR CA 1 122 THR C 1 123 ASN N -62.50 -22.50 -46.39 -47.70 -49.90 . . 0 "[ . 1 . 2]"
177 . 1 122 THR C 1 123 ASN N 1 123 ASN CA 1 123 ASN C -82.40 -42.40 -67.32 -66.43 -68.34 . . 0 "[ . 1 . 2]"
178 . 1 123 ASN N 1 123 ASN CA 1 123 ASN C 1 124 SER N -61.30 -21.30 -33.05 -38.73 -43.98 1.39 19 0 "[ . 1 . 2]"
179 . 1 123 ASN C 1 124 SER N 1 124 SER CA 1 124 SER C -112.20 -45.40 -74.65 -71.53 -75.39 . . 0 "[ . 1 . 2]"
180 . 1 124 SER N 1 124 SER CA 1 124 SER C 1 125 PHE N -57.50 25.30 -31.59 -41.94 -45.00 . . 0 "[ . 1 . 2]"
181 . 1 124 SER C 1 125 PHE N 1 125 PHE CA 1 125 PHE C -130.70 -75.90 -100.54 -128.86 -74.99 0.91 7 0 "[ . 1 . 2]"
182 . 1 125 PHE N 1 125 PHE CA 1 125 PHE C 1 126 GLY N -37.70 40.90 -35.95 -38.82 -39.19 2.61 14 0 "[ . 1 . 2]"
183 . 1 126 GLY C 1 127 ASP N 1 127 ASP CA 1 127 ASP C -103.50 -27.30 -79.85 -82.50 -88.21 0.38 15 0 "[ . 1 . 2]"
184 . 1 127 ASP N 1 127 ASP CA 1 127 ASP C 1 128 TRP N -50.20 1.00 -36.38 -34.59 -37.38 0.94 1 0 "[ . 1 . 2]"
185 . 1 127 ASP C 1 128 TRP N 1 128 TRP CA 1 128 TRP C -141.80 -80.80 -107.76 -127.23 -79.03 1.77 6 0 "[ . 1 . 2]"
186 . 1 128 TRP N 1 128 TRP CA 1 128 TRP C 1 129 VAL N -40.80 38.80 14.02 -18.22 38.02 . . 0 "[ . 1 . 2]"
187 . 1 128 TRP C 1 129 VAL N 1 129 VAL CA 1 129 VAL C -174.70 -34.70 -110.58 -131.24 -91.02 . . 0 "[ . 1 . 2]"
188 . 1 129 VAL N 1 129 VAL CA 1 129 VAL C 1 130 VAL N 98.50 165.10 138.01 139.71 138.99 . . 0 "[ . 1 . 2]"
189 . 1 129 VAL C 1 130 VAL N 1 130 VAL CA 1 130 VAL C -119.50 -47.90 -78.61 -84.46 -85.03 . . 0 "[ . 1 . 2]"
190 . 1 130 VAL N 1 130 VAL CA 1 130 VAL C 1 131 PRO N 98.60 170.80 126.27 115.85 136.41 . . 0 "[ . 1 . 2]"
191 . 1 131 PRO C 1 132 TYR N 1 132 TYR CA 1 132 TYR C -176.50 -85.50 -109.36 -93.18 -97.91 . . 0 "[ . 1 . 2]"
192 . 1 132 TYR N 1 132 TYR CA 1 132 TYR C 1 133 TYR N 127.20 -164.00 157.80 174.60 172.38 . . 0 "[ . 1 . 2]"
193 . 1 132 TYR C 1 133 TYR N 1 133 TYR CA 1 133 TYR C -106.10 -45.30 -73.21 -62.93 -64.36 3.60 19 0 "[ . 1 . 2]"
194 . 1 133 TYR N 1 133 TYR CA 1 133 TYR C 1 134 ARG N 99.30 147.50 125.72 122.18 116.63 1.43 10 0 "[ . 1 . 2]"
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