NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
599869 |
2n3t   |
25657 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2n3t
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 182
_TA_constraint_stats_list.Viol_count 218
_TA_constraint_stats_list.Viol_total 9228.70
_TA_constraint_stats_list.Viol_max 126.74
_TA_constraint_stats_list.Viol_rms 6.15
_TA_constraint_stats_list.Viol_average_all_restraints 0.51
_TA_constraint_stats_list.Viol_average_violations_only 4.23
_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 6 SER C 1 7 ALA N 1 7 ALA CA 1 7 ALA C -80.50 -40.50 -60.30 -52.67 -56.75 . . 0 "[ . 1]"
2 . 1 7 ALA N 1 7 ALA CA 1 7 ALA C 1 8 ALA N -61.20 -21.20 -35.81 -41.51 -49.36 . . 0 "[ . 1]"
3 . 1 7 ALA C 1 8 ALA N 1 8 ALA CA 1 8 ALA C -89.40 -48.20 -64.96 -75.62 -51.61 . . 0 "[ . 1]"
4 . 1 8 ALA N 1 8 ALA CA 1 8 ALA C 1 9 ILE N -50.60 -10.60 -48.32 -40.68 -46.29 0.05 5 0 "[ . 1]"
5 . 1 8 ALA C 1 9 ILE N 1 9 ILE CA 1 9 ILE C -119.30 -49.10 -61.87 -70.38 -55.20 . . 0 "[ . 1]"
6 . 1 9 ILE N 1 9 ILE CA 1 9 ILE C 1 10 LEU N -65.50 32.30 -38.50 -57.16 -21.62 . . 0 "[ . 1]"
7 . 1 14 ILE C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -79.80 -39.80 -74.34 -79.94 -67.27 0.14 7 0 "[ . 1]"
8 . 1 15 ALA N 1 15 ALA CA 1 15 ALA C 1 16 PHE N -63.50 -23.50 -38.66 -63.55 -22.93 0.57 9 0 "[ . 1]"
9 . 1 15 ALA C 1 16 PHE N 1 16 PHE CA 1 16 PHE C -118.30 -44.10 -52.00 -51.73 -53.87 0.70 9 0 "[ . 1]"
10 . 1 16 PHE N 1 16 PHE CA 1 16 PHE C 1 17 ALA N -49.70 3.50 -19.33 -49.24 6.35 2.85 7 0 "[ . 1]"
11 . 1 16 PHE C 1 17 ALA N 1 17 ALA CA 1 17 ALA C -83.30 -43.30 -57.01 -84.12 -41.99 1.31 7 0 "[ . 1]"
12 . 1 17 ALA N 1 17 ALA CA 1 17 ALA C 1 18 GLY N -50.40 -8.00 -13.89 -19.68 -35.64 3.92 4 0 "[ . 1]"
13 . 1 17 ALA C 1 18 GLY N 1 18 GLY CA 1 18 GLY C -87.80 -47.80 -60.22 -66.16 -83.27 2.91 5 0 "[ . 1]"
14 . 1 18 GLY N 1 18 GLY CA 1 18 GLY C 1 19 SER N -52.10 -3.70 -29.13 -54.98 -1.98 2.88 3 0 "[ . 1]"
15 . 1 18 GLY C 1 19 SER N 1 19 SER CA 1 19 SER C -134.30 -37.50 -89.51 -137.15 -37.32 2.85 3 0 "[ . 1]"
16 . 1 19 SER N 1 19 SER CA 1 19 SER C 1 20 LYS N -62.60 -15.00 -41.14 -67.60 -12.82 5.00 4 0 "[ . 1]"
17 . 1 21 ASN C 1 22 ASP N 1 22 ASP CA 1 22 ASP C -78.20 -38.20 -72.14 -78.51 -46.41 0.31 2 0 "[ . 1]"
18 . 1 22 ASP N 1 22 ASP CA 1 22 ASP C 1 23 GLU N -59.10 -5.30 -20.55 -54.46 -3.90 1.40 10 0 "[ . 1]"
19 . 1 22 ASP C 1 23 GLU N 1 23 GLU CA 1 23 GLU C -83.70 -43.70 -70.20 -68.99 -76.87 0.24 6 0 "[ . 1]"
20 . 1 23 GLU N 1 23 GLU CA 1 23 GLU C 1 24 VAL N -60.70 -20.70 -53.00 -59.61 -42.02 . . 0 "[ . 1]"
21 . 1 23 GLU C 1 24 VAL N 1 24 VAL CA 1 24 VAL C -82.80 -42.80 -61.29 -59.34 -64.40 . . 0 "[ . 1]"
22 . 1 24 VAL N 1 24 VAL CA 1 24 VAL C 1 25 LEU N -61.70 -21.70 -42.44 -27.71 -35.81 0.45 9 0 "[ . 1]"
23 . 1 24 VAL C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -86.80 -46.80 -63.24 -73.19 -54.28 . . 0 "[ . 1]"
24 . 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 GLY N -55.60 -15.60 -36.11 -53.81 -22.61 . . 0 "[ . 1]"
25 . 1 25 LEU C 1 26 GLY N 1 26 GLY CA 1 26 GLY C -103.50 -40.50 -68.92 -74.63 -76.35 . . 0 "[ . 1]"
26 . 1 26 GLY N 1 26 GLY CA 1 26 GLY C 1 27 LEU N -55.20 14.60 -30.15 -25.63 -27.04 . . 0 "[ . 1]"
27 . 1 26 GLY C 1 27 LEU N 1 27 LEU CA 1 27 LEU C -86.30 -46.30 -86.96 -87.98 -85.81 1.68 10 0 "[ . 1]"
28 . 1 27 LEU N 1 27 LEU CA 1 27 LEU C 1 28 LEU N -59.00 -19.00 -45.65 -44.23 -44.54 . . 0 "[ . 1]"
29 . 1 27 LEU C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -122.30 -52.90 -59.44 -64.04 -53.49 . . 0 "[ . 1]"
30 . 1 28 LEU N 1 28 LEU CA 1 28 LEU C 1 29 LEU N -49.70 17.90 -39.96 -46.12 -48.38 0.49 5 0 "[ . 1]"
31 . 1 28 LEU C 1 29 LEU N 1 29 LEU CA 1 29 LEU C -71.50 -31.50 -53.33 -68.65 -45.34 . . 0 "[ . 1]"
32 . 1 29 LEU N 1 29 LEU CA 1 29 LEU C 1 30 PRO N -69.20 -29.20 -66.17 -65.91 -65.98 . . 0 "[ . 1]"
33 . 1 29 LEU C 1 30 PRO N 1 30 PRO CA 1 30 PRO C -77.00 -37.00 -46.89 -48.26 -45.50 . . 0 "[ . 1]"
34 . 1 30 PRO N 1 30 PRO CA 1 30 PRO C 1 31 ILE N -63.60 0.80 -41.94 -59.84 -29.47 . . 0 "[ . 1]"
35 . 1 30 PRO C 1 31 ILE N 1 31 ILE CA 1 31 ILE C -87.30 -47.30 -76.10 -76.08 -77.35 . . 0 "[ . 1]"
36 . 1 31 ILE N 1 31 ILE CA 1 31 ILE C 1 32 ALA N -57.20 -17.00 -25.97 -18.84 -21.23 . . 0 "[ . 1]"
37 . 1 31 ILE C 1 32 ALA N 1 32 ALA CA 1 32 ALA C -86.20 -46.20 -83.38 -81.02 -83.97 0.51 3 0 "[ . 1]"
38 . 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1 33 ALA N -52.60 -11.20 -21.27 -45.06 -10.55 0.65 6 0 "[ . 1]"
39 . 1 32 ALA C 1 33 ALA N 1 33 ALA CA 1 33 ALA C -125.40 -82.20 -82.04 -82.00 -82.11 0.67 6 0 "[ . 1]"
40 . 1 33 ALA N 1 33 ALA CA 1 33 ALA C 1 34 SER N -34.30 35.10 9.95 -0.72 -14.11 0.48 4 0 "[ . 1]"
41 . 1 34 SER C 1 35 THR N 1 35 THR CA 1 35 THR C -89.80 -43.80 -63.50 -53.10 -65.77 . . 0 "[ . 1]"
42 . 1 35 THR N 1 35 THR CA 1 35 THR C 1 36 ASP N -50.90 -10.90 -24.39 -45.99 -10.67 0.23 3 0 "[ . 1]"
43 . 1 36 ASP C 1 37 LEU N 1 37 LEU CA 1 37 LEU C -151.40 -31.60 -109.12 -151.65 -45.66 0.25 7 0 "[ . 1]"
44 . 1 37 LEU N 1 37 LEU CA 1 37 LEU C 1 38 PRO N 54.40 -168.60 154.93 151.11 150.27 . . 0 "[ . 1]"
45 . 1 37 LEU C 1 38 PRO N 1 38 PRO CA 1 38 PRO C -81.90 -41.90 -48.39 -45.72 -46.14 . . 0 "[ . 1]"
46 . 1 38 PRO N 1 38 PRO CA 1 38 PRO C 1 39 ILE N 128.10 168.70 145.10 145.60 143.51 0.24 3 0 "[ . 1]"
47 . 1 38 PRO C 1 39 ILE N 1 39 ILE CA 1 39 ILE C -73.60 -33.60 -70.49 -71.37 -72.37 . . 0 "[ . 1]"
48 . 1 39 ILE N 1 39 ILE CA 1 39 ILE C 1 40 GLU N -58.40 -15.00 -23.96 -41.78 -14.91 0.09 1 0 "[ . 1]"
49 . 1 39 ILE C 1 40 GLU N 1 40 GLU CA 1 40 GLU C -78.00 -38.00 -52.08 -51.26 -53.03 . . 0 "[ . 1]"
50 . 1 40 GLU N 1 40 GLU CA 1 40 GLU C 1 41 THR N -63.10 -23.10 -46.78 -44.92 -52.12 0.02 5 0 "[ . 1]"
51 . 1 40 GLU C 1 41 THR N 1 41 THR CA 1 41 THR C -88.10 -48.10 -68.12 -85.29 -50.71 . . 0 "[ . 1]"
52 . 1 41 THR N 1 41 THR CA 1 41 THR C 1 42 ALA N -58.10 -18.10 -44.64 -55.77 -34.70 . . 0 "[ . 1]"
53 . 1 41 THR C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -83.70 -43.70 -62.68 -72.76 -52.63 . . 0 "[ . 1]"
54 . 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 ALA N -61.10 -21.10 -33.22 -28.30 -33.25 . . 0 "[ . 1]"
55 . 1 42 ALA C 1 43 ALA N 1 43 ALA CA 1 43 ALA C -83.30 -43.30 -62.63 -80.66 -46.13 . . 0 "[ . 1]"
56 . 1 43 ALA N 1 43 ALA CA 1 43 ALA C 1 44 MET N -63.10 -23.10 -53.97 -63.38 -36.72 0.28 3 0 "[ . 1]"
57 . 1 43 ALA C 1 44 MET N 1 44 MET CA 1 44 MET C -83.50 -43.50 -58.25 -57.23 -62.78 . . 0 "[ . 1]"
58 . 1 44 MET N 1 44 MET CA 1 44 MET C 1 45 ALA N -62.20 -22.20 -44.65 -56.86 -37.18 . . 0 "[ . 1]"
59 . 1 44 MET C 1 45 ALA N 1 45 ALA CA 1 45 ALA C -80.80 -40.80 -62.96 -51.57 -57.43 . . 0 "[ . 1]"
60 . 1 45 ALA N 1 45 ALA CA 1 45 ALA C 1 46 SER N -61.60 -21.60 -42.80 -46.68 -50.44 . . 0 "[ . 1]"
61 . 1 45 ALA C 1 46 SER N 1 46 SER CA 1 46 SER C -85.10 -45.10 -60.80 -76.39 -52.76 . . 0 "[ . 1]"
62 . 1 46 SER N 1 46 SER CA 1 46 SER C 1 47 LEU N -60.40 -20.40 -44.63 -57.87 -32.32 . . 0 "[ . 1]"
63 . 1 46 SER C 1 47 LEU N 1 47 LEU CA 1 47 LEU C -108.30 -35.30 -54.96 -57.40 -61.96 . . 0 "[ . 1]"
64 . 1 47 LEU N 1 47 LEU CA 1 47 LEU C 1 48 ALA N -59.70 -7.50 -51.27 -55.78 -58.26 . . 0 "[ . 1]"
65 . 1 47 LEU C 1 48 ALA N 1 48 ALA CA 1 48 ALA C -126.60 -48.40 -55.29 -61.24 -48.29 0.11 4 0 "[ . 1]"
66 . 1 48 ALA N 1 48 ALA CA 1 48 ALA C 1 49 LEU N -49.60 25.40 -40.98 -49.41 -31.62 . . 0 "[ . 1]"
67 . 1 48 ALA C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -85.10 -42.50 -58.46 -41.95 -46.32 0.55 2 0 "[ . 1]"
68 . 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 ALA N -58.30 -18.30 -45.58 -39.50 -46.90 0.30 4 0 "[ . 1]"
69 . 1 49 LEU C 1 50 ALA N 1 50 ALA CA 1 50 ALA C -83.40 -43.40 -61.87 -83.50 -43.82 0.10 7 0 "[ . 1]"
70 . 1 50 ALA N 1 50 ALA CA 1 50 ALA C 1 51 HIS N -63.80 -23.80 -39.79 -43.52 -52.31 0.06 4 0 "[ . 1]"
71 . 1 50 ALA C 1 51 HIS N 1 51 HIS CA 1 51 HIS C -118.80 -33.60 -63.41 -79.64 -42.18 . . 0 "[ . 1]"
72 . 1 51 HIS N 1 51 HIS CA 1 51 HIS C 1 52 VAL N -78.50 19.10 -34.23 -16.15 -26.11 . . 0 "[ . 1]"
73 . 1 52 VAL C 1 53 PHE N 1 53 PHE CA 1 53 PHE C -97.10 -38.10 -80.61 -97.55 -61.68 0.45 7 0 "[ . 1]"
74 . 1 53 PHE N 1 53 PHE CA 1 53 PHE C 1 54 VAL N -66.00 -0.20 0.35 0.89 0.67 1.25 2 0 "[ . 1]"
75 . 1 53 PHE C 1 54 VAL N 1 54 VAL CA 1 54 VAL C -109.50 -50.50 -49.79 -49.53 -49.74 1.22 2 0 "[ . 1]"
76 . 1 54 VAL N 1 54 VAL CA 1 54 VAL C 1 55 GLY N -46.80 32.40 -15.05 -12.68 -13.68 . . 0 "[ . 1]"
77 . 1 55 GLY C 1 56 THR N 1 56 THR CA 1 56 THR C -133.50 -43.50 -98.49 -99.37 -99.97 . . 0 "[ . 1]"
78 . 1 56 THR N 1 56 THR CA 1 56 THR C 1 57 CYS N 124.40 177.00 174.93 154.37 177.40 0.40 10 0 "[ . 1]"
79 . 1 58 ASN C 1 59 GLY N 1 59 GLY CA 1 59 GLY C -78.40 -38.40 -73.79 -73.67 -77.26 0.60 1 0 "[ . 1]"
80 . 1 59 GLY N 1 59 GLY CA 1 59 GLY C 1 60 ASP N -56.80 -6.60 -29.07 -41.38 -17.28 . . 0 "[ . 1]"
81 . 1 59 GLY C 1 60 ASP N 1 60 ASP CA 1 60 ASP C -82.90 -42.90 -50.22 -57.50 -62.59 0.23 10 0 "[ . 1]"
82 . 1 60 ASP N 1 60 ASP CA 1 60 ASP C 1 61 ILE N -57.50 -17.50 -47.82 -49.52 -55.91 0.48 6 0 "[ . 1]"
83 . 1 60 ASP C 1 61 ILE N 1 61 ILE CA 1 61 ILE C -81.70 -41.70 -54.16 -63.97 -42.64 . . 0 "[ . 1]"
84 . 1 61 ILE N 1 61 ILE CA 1 61 ILE C 1 62 THR N -64.40 -24.40 -41.88 -56.31 -27.86 . . 0 "[ . 1]"
85 . 1 61 ILE C 1 62 THR N 1 62 THR CA 1 62 THR C -81.60 -41.60 -65.51 -54.77 -56.76 . . 0 "[ . 1]"
86 . 1 62 THR N 1 62 THR CA 1 62 THR C 1 63 THR N -59.30 -19.30 -32.51 -22.83 -30.49 0.30 3 0 "[ . 1]"
87 . 1 62 THR C 1 63 THR N 1 63 THR CA 1 63 THR C -85.60 -45.60 -60.81 -77.02 -50.73 . . 0 "[ . 1]"
88 . 1 63 THR N 1 63 THR CA 1 63 THR C 1 64 SER N -64.20 -24.20 -47.55 -53.29 -55.59 . . 0 "[ . 1]"
89 . 1 63 THR C 1 64 SER N 1 64 SER CA 1 64 SER C -84.10 -44.10 -69.71 -83.96 -61.84 . . 0 "[ . 1]"
90 . 1 64 SER N 1 64 SER CA 1 64 SER C 1 65 ILE N -62.40 -22.40 -48.49 -59.90 -30.87 . . 0 "[ . 1]"
91 . 1 64 SER C 1 65 ILE N 1 65 ILE CA 1 65 ILE C -92.50 -44.90 -56.99 -57.06 -64.85 . . 0 "[ . 1]"
92 . 1 65 ILE N 1 65 ILE CA 1 65 ILE C 1 66 MET N -58.40 -18.40 -43.55 -58.61 -26.00 0.21 3 0 "[ . 1]"
93 . 1 65 ILE C 1 66 MET N 1 66 MET CA 1 66 MET C -84.80 -44.80 -65.17 -58.66 -63.36 . . 0 "[ . 1]"
94 . 1 66 MET N 1 66 MET CA 1 66 MET C 1 67 ASP N -59.20 -19.20 -43.12 -44.52 -49.77 . . 0 "[ . 1]"
95 . 1 66 MET C 1 67 ASP N 1 67 ASP CA 1 67 ASP C -86.50 -46.50 -52.54 -67.43 -46.46 0.04 4 0 "[ . 1]"
96 . 1 67 ASP N 1 67 ASP CA 1 67 ASP C 1 68 ASN N -61.80 -21.80 -47.34 -62.22 -36.40 0.42 10 0 "[ . 1]"
97 . 1 67 ASP C 1 68 ASN N 1 68 ASN CA 1 68 ASN C -84.40 -44.40 -63.04 -56.89 -62.24 . . 0 "[ . 1]"
98 . 1 68 ASN N 1 68 ASN CA 1 68 ASN C 1 69 PHE N -65.40 -25.40 -41.10 -53.08 -25.91 . . 0 "[ . 1]"
99 . 1 68 ASN C 1 69 PHE N 1 69 PHE CA 1 69 PHE C -82.00 -42.00 -53.43 -65.63 -42.19 . . 0 "[ . 1]"
100 . 1 69 PHE N 1 69 PHE CA 1 69 PHE C 1 70 LEU N -61.00 -18.00 -43.98 -57.71 -31.33 . . 0 "[ . 1]"
101 . 1 69 PHE C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -102.20 -36.60 -68.00 -57.59 -65.04 . . 0 "[ . 1]"
102 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 GLU N -75.80 3.40 -40.61 -24.27 -28.98 . . 0 "[ . 1]"
103 . 1 70 LEU C 1 71 GLU N 1 71 GLU CA 1 71 GLU C -85.00 -45.00 -67.80 -83.25 -45.26 . . 0 "[ . 1]"
104 . 1 71 GLU N 1 71 GLU CA 1 71 GLU C 1 72 ARG N -55.40 -7.40 -46.98 -56.27 -7.37 0.87 9 0 "[ . 1]"
105 . 1 72 ARG C 1 73 THR N 1 73 THR CA 1 73 THR C -98.20 -58.20 -73.18 -73.56 -76.95 . . 0 "[ . 1]"
106 . 1 73 THR N 1 73 THR CA 1 73 THR C 1 74 ALA N 142.40 -177.60 159.02 145.82 167.17 . . 0 "[ . 1]"
107 . 1 73 THR C 1 74 ALA N 1 74 ALA CA 1 74 ALA C -85.40 -40.60 -47.95 -55.62 -40.41 0.19 1 0 "[ . 1]"
108 . 1 74 ALA N 1 74 ALA CA 1 74 ALA C 1 75 ILE N -68.40 -1.00 -12.94 -18.40 -21.33 . . 0 "[ . 1]"
109 . 1 74 ALA C 1 75 ILE N 1 75 ILE CA 1 75 ILE C -93.20 -53.20 -55.73 -53.41 -53.89 0.85 7 0 "[ . 1]"
110 . 1 75 ILE N 1 75 ILE CA 1 75 ILE C 1 76 GLU N -58.00 -0.60 -8.39 -21.00 -1.45 . . 0 "[ . 1]"
111 . 1 75 ILE C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -89.60 -49.60 -64.26 -60.07 -65.37 . . 0 "[ . 1]"
112 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 LEU N -57.10 -17.10 -18.15 -23.39 -16.41 0.69 1 0 "[ . 1]"
113 . 1 76 GLU C 1 77 LEU N 1 77 LEU CA 1 77 LEU C -120.20 -25.60 -53.33 -71.10 -39.56 . . 0 "[ . 1]"
114 . 1 77 LEU N 1 77 LEU CA 1 77 LEU C 1 78 LYS N -75.40 1.60 -9.48 1.48 -0.71 0.42 2 0 "[ . 1]"
115 . 1 80 ASP C 1 81 TRP N 1 81 TRP CA 1 81 TRP C -81.70 -41.70 -65.26 -81.77 -49.45 0.07 3 0 "[ . 1]"
116 . 1 81 TRP N 1 81 TRP CA 1 81 TRP C 1 82 VAL N -60.50 -20.50 -31.81 -49.87 -20.36 0.14 8 0 "[ . 1]"
117 . 1 81 TRP C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -84.80 -44.80 -52.63 -57.17 -63.81 0.27 8 0 "[ . 1]"
118 . 1 82 VAL N 1 82 VAL CA 1 82 VAL C 1 83 ARG N -62.10 -22.10 -30.73 -31.91 -37.38 0.33 4 0 "[ . 1]"
119 . 1 82 VAL C 1 83 ARG N 1 83 ARG CA 1 83 ARG C -90.90 -40.90 -62.74 -52.79 -58.30 . . 0 "[ . 1]"
120 . 1 83 ARG N 1 83 ARG CA 1 83 ARG C 1 84 PHE N -55.80 -15.80 -51.54 -56.02 -35.44 0.22 2 0 "[ . 1]"
121 . 1 83 ARG C 1 84 PHE N 1 84 PHE CA 1 84 PHE C -83.50 -43.50 -64.85 -61.53 -67.29 . . 0 "[ . 1]"
122 . 1 84 PHE N 1 84 PHE CA 1 84 PHE C 1 85 LEU N -60.20 -20.20 -41.34 -37.53 -39.60 . . 0 "[ . 1]"
123 . 1 84 PHE C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -84.50 -44.50 -60.76 -59.84 -61.43 . . 0 "[ . 1]"
124 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 ALA N -60.10 -20.10 -38.60 -54.01 -22.93 . . 0 "[ . 1]"
125 . 1 85 LEU C 1 86 ALA N 1 86 ALA CA 1 86 ALA C -86.70 -46.70 -68.14 -66.29 -70.55 . . 0 "[ . 1]"
126 . 1 86 ALA N 1 86 ALA CA 1 86 ALA C 1 87 LEU N -55.30 -15.30 -45.65 -55.43 -32.81 0.13 2 0 "[ . 1]"
127 . 1 86 ALA C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -83.80 -43.80 -57.60 -51.33 -54.56 . . 0 "[ . 1]"
128 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 ALA N -59.00 -11.60 -40.60 -57.77 -27.84 . . 0 "[ . 1]"
129 . 1 87 LEU C 1 88 ALA N 1 88 ALA CA 1 88 ALA C -82.40 -42.40 -62.28 -60.19 -64.92 . . 0 "[ . 1]"
130 . 1 88 ALA N 1 88 ALA CA 1 88 ALA C 1 89 LEU N -64.50 -24.50 -48.91 -64.79 -29.36 0.29 3 0 "[ . 1]"
131 . 1 88 ALA C 1 89 LEU N 1 89 LEU CA 1 89 LEU C -82.50 -42.50 -65.00 -66.27 -70.66 . . 0 "[ . 1]"
132 . 1 89 LEU N 1 89 LEU CA 1 89 LEU C 1 90 GLY N -65.20 -11.40 -19.26 -20.89 -27.32 . . 0 "[ . 1]"
133 . 1 89 LEU C 1 90 GLY N 1 90 GLY CA 1 90 GLY C -84.20 -44.20 -82.98 -82.90 -83.98 0.47 1 0 "[ . 1]"
134 . 1 90 GLY N 1 90 GLY CA 1 90 GLY C 1 91 ILE N -58.60 -14.60 -49.21 -58.67 -29.73 0.07 9 0 "[ . 1]"
135 . 1 90 GLY C 1 91 ILE N 1 91 ILE CA 1 91 ILE C -86.30 -46.30 -69.95 -81.99 -58.45 . . 0 "[ . 1]"
136 . 1 91 ILE N 1 91 ILE CA 1 91 ILE C 1 92 LEU N -60.60 -20.60 -30.42 -30.46 -33.22 . . 0 "[ . 1]"
137 . 1 91 ILE C 1 92 LEU N 1 92 LEU CA 1 92 LEU C -83.10 -43.10 -54.13 -52.79 -61.86 . . 0 "[ . 1]"
138 . 1 92 LEU N 1 92 LEU CA 1 92 LEU C 1 93 TYR N -61.90 -18.90 -49.22 -60.60 -27.72 . . 0 "[ . 1]"
139 . 1 92 LEU C 1 93 TYR N 1 93 TYR CA 1 93 TYR C -125.10 -66.70 -92.96 -105.28 -118.80 . . 0 "[ . 1]"
140 . 1 93 TYR N 1 93 TYR CA 1 93 TYR C 1 94 MET N -43.50 35.10 9.38 -30.95 35.05 . . 0 "[ . 1]"
141 . 1 97 GLY C 1 98 GLU N 1 98 GLU CA 1 98 GLU C -81.60 -41.60 -50.41 -47.37 -50.34 0.19 10 0 "[ . 1]"
142 . 1 98 GLU N 1 98 GLU CA 1 98 GLU C 1 99 GLN N -58.00 -14.60 -26.57 -21.36 -25.09 . . 0 "[ . 1]"
143 . 1 98 GLU C 1 99 GLN N 1 99 GLN CA 1 99 GLN C -96.00 -56.00 -57.65 -55.85 -55.91 0.54 3 0 "[ . 1]"
144 . 1 99 GLN N 1 99 GLN CA 1 99 GLN C 1 100 VAL N -57.20 -15.00 -44.24 -54.95 -34.66 . . 0 "[ . 1]"
145 . 1 99 GLN C 1 100 VAL N 1 100 VAL CA 1 100 VAL C -132.10 -38.30 -58.76 -69.79 -43.61 . . 0 "[ . 1]"
146 . 1 100 VAL N 1 100 VAL CA 1 100 VAL C 1 101 ASP N -71.90 24.30 -45.75 -56.38 -22.32 . . 0 "[ . 1]"
147 . 1 100 VAL C 1 101 ASP N 1 101 ASP CA 1 101 ASP C -81.10 -41.10 -52.56 -57.62 -65.89 . . 0 "[ . 1]"
148 . 1 101 ASP N 1 101 ASP CA 1 101 ASP C 1 102 ASP N -55.50 -11.70 -39.41 -45.01 -32.98 . . 0 "[ . 1]"
149 . 1 101 ASP C 1 102 ASP N 1 102 ASP CA 1 102 ASP C -87.10 -47.10 -68.06 -72.64 -72.75 . . 0 "[ . 1]"
150 . 1 102 ASP N 1 102 ASP CA 1 102 ASP C 1 103 VAL N -59.10 -11.90 -45.35 -44.75 -45.35 . . 0 "[ . 1]"
151 . 1 102 ASP C 1 103 VAL N 1 103 VAL CA 1 103 VAL C -83.90 -43.90 -57.12 -60.10 -52.83 . . 0 "[ . 1]"
152 . 1 103 VAL N 1 103 VAL CA 1 103 VAL C 1 104 LEU N -62.80 -22.80 -53.13 -61.94 -34.26 . . 0 "[ . 1]"
153 . 1 103 VAL C 1 104 LEU N 1 104 LEU CA 1 104 LEU C -85.30 -45.30 -54.89 -46.83 -49.76 . . 0 "[ . 1]"
154 . 1 104 LEU N 1 104 LEU CA 1 104 LEU C 1 105 GLU N -59.20 5.20 -44.24 -54.90 -24.80 . . 0 "[ . 1]"
155 . 1 104 LEU C 1 105 GLU N 1 105 GLU CA 1 105 GLU C -120.00 -38.20 -52.01 -49.62 -51.26 . . 0 "[ . 1]"
156 . 1 105 GLU N 1 105 GLU CA 1 105 GLU C 1 106 THR N -60.60 22.00 -38.23 -55.26 -27.73 . . 0 "[ . 1]"
157 . 1 105 GLU C 1 106 THR N 1 106 THR CA 1 106 THR C -81.30 -41.30 -68.74 -64.86 -68.32 . . 0 "[ . 1]"
158 . 1 106 THR N 1 106 THR CA 1 106 THR C 1 107 ILE N -60.00 -20.00 -48.61 -55.00 -40.22 . . 0 "[ . 1]"
159 . 1 106 THR C 1 107 ILE N 1 107 ILE CA 1 107 ILE C -88.10 -48.10 -58.93 -57.75 -60.79 . . 0 "[ . 1]"
160 . 1 107 ILE N 1 107 ILE CA 1 107 ILE C 1 108 SER N -56.00 -12.60 -35.98 -42.85 -43.06 . . 0 "[ . 1]"
161 . 1 107 ILE C 1 108 SER N 1 108 SER CA 1 108 SER C -123.80 -41.80 -69.72 -82.31 -49.55 . . 0 "[ . 1]"
162 . 1 108 SER N 1 108 SER CA 1 108 SER C 1 109 ALA N -62.90 26.70 -33.73 -49.38 -14.70 . . 0 "[ . 1]"
163 . 1 111 GLU C 1 112 HIS N 1 112 HIS CA 1 112 HIS C -137.10 -37.10 -129.43 -137.37 -85.38 0.27 5 0 "[ . 1]"
164 . 1 112 HIS N 1 112 HIS CA 1 112 HIS C 1 113 PRO N 71.40 -173.00 100.83 75.60 158.27 . . 0 "[ . 1]"
165 . 1 113 PRO C 1 114 MET N 1 114 MET CA 1 114 MET C -97.40 -19.60 -81.21 -97.49 -44.08 0.09 2 0 "[ . 1]"
166 . 1 114 MET N 1 114 MET CA 1 114 MET C 1 115 THR N -90.90 22.90 -38.07 -63.77 -0.00 . . 0 "[ . 1]"
167 . 1 114 MET C 1 115 THR N 1 115 THR CA 1 115 THR C -82.80 -42.80 -54.87 -79.01 -42.52 0.28 1 0 "[ . 1]"
168 . 1 115 THR N 1 115 THR CA 1 115 THR C 1 116 SER N -64.10 -24.10 -26.16 -24.02 -24.03 0.61 4 0 "[ . 1]"
169 . 1 115 THR C 1 116 SER N 1 116 SER CA 1 116 SER C -84.30 -44.30 -45.81 -45.40 -46.89 0.62 4 0 "[ . 1]"
170 . 1 116 SER N 1 116 SER CA 1 116 SER C 1 117 ALA N -61.80 -21.80 -29.14 -22.25 -26.45 0.43 10 0 "[ . 1]"
171 . 1 116 SER C 1 117 ALA N 1 117 ALA CA 1 117 ALA C -86.50 -46.50 -61.79 -68.06 -51.44 . . 0 "[ . 1]"
172 . 1 117 ALA N 1 117 ALA CA 1 117 ALA C 1 118 ILE N -60.50 -20.50 -46.15 -60.67 -35.79 0.17 10 0 "[ . 1]"
173 . 1 117 ALA C 1 118 ILE N 1 118 ILE CA 1 118 ILE C -86.30 -46.30 -68.78 -64.87 -65.21 . . 0 "[ . 1]"
174 . 1 118 ILE N 1 118 ILE CA 1 118 ILE C 1 119 GLU N -65.10 -25.10 -34.72 -30.27 -36.71 . . 0 "[ . 1]"
175 . 1 118 ILE C 1 119 GLU N 1 119 GLU CA 1 119 GLU C -80.90 -40.90 -56.67 -67.78 -45.07 . . 0 "[ . 1]"
176 . 1 119 GLU N 1 119 GLU CA 1 119 GLU C 1 120 VAL N -61.70 -21.70 -45.01 -61.63 -33.61 . . 0 "[ . 1]"
177 . 1 119 GLU C 1 120 VAL N 1 120 VAL CA 1 120 VAL C -83.30 -43.30 -70.14 -65.50 -70.77 . . 0 "[ . 1]"
178 . 1 120 VAL N 1 120 VAL CA 1 120 VAL C 1 121 LEU N -62.90 -22.90 -37.30 -33.60 -33.81 . . 0 "[ . 1]"
179 . 1 120 VAL C 1 121 LEU N 1 121 LEU CA 1 121 LEU C -119.20 -40.40 -62.14 -73.14 -43.18 . . 0 "[ . 1]"
180 . 1 121 LEU N 1 121 LEU CA 1 121 LEU C 1 122 VAL N -75.30 26.30 -62.56 -70.45 -43.42 . . 0 "[ . 1]"
181 . 1 124 SER C 1 125 CYS N 1 125 CYS CA 1 125 CYS C -171.40 -71.80 -81.58 -99.64 -74.77 . . 0 "[ . 1]"
182 . 1 125 CYS N 1 125 CYS CA 1 125 CYS C 1 126 ALA N 140.40 -179.60 63.16 91.80 88.33 126.74 10 10 [*-*******+]
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