NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
412313 |
2b6f   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2b6f
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 167
_TA_constraint_stats_list.Viol_count 606
_TA_constraint_stats_list.Viol_total 23201.93
_TA_constraint_stats_list.Viol_max 14.57
_TA_constraint_stats_list.Viol_rms 1.25
_TA_constraint_stats_list.Viol_average_all_restraints 0.35
_TA_constraint_stats_list.Viol_average_violations_only 1.91
_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 GLY C 1 2 ALA N 1 2 ALA CA 1 2 ALA C -170.00 -30.00 -118.24 -78.28 -160.76 1.19 12 0 "[ . 1 . 2]"
2 . 1 2 ALA C 1 3 PRO N 1 3 PRO CA 1 3 PRO C -170.00 -30.00 -58.03 -72.76 -75.53 . . 0 "[ . 1 . 2]"
3 . 1 3 PRO C 1 4 GLU N 1 4 GLU CA 1 4 GLU C -170.00 -30.00 -120.86 -153.13 -160.17 0.10 1 0 "[ . 1 . 2]"
4 . 1 5 GLY C 1 6 PRO N 1 6 PRO CA 1 6 PRO C -170.00 -30.00 -64.02 -46.14 -75.20 . . 0 "[ . 1 . 2]"
5 . 1 7 GLY C 1 8 PRO N 1 8 PRO CA 1 8 PRO C -170.00 -30.00 -65.04 -75.89 -41.72 . . 0 "[ . 1 . 2]"
6 . 1 8 PRO C 1 9 SER N 1 9 SER CA 1 9 SER C -170.00 -30.00 -105.85 -79.65 -161.30 . . 0 "[ . 1 . 2]"
7 . 1 11 GLY C 1 12 ALA N 1 12 ALA CA 1 12 ALA C -92.00 -56.00 -72.76 -72.02 -73.92 . . 0 "[ . 1 . 2]"
8 . 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 GLN N -56.00 -4.00 -30.59 -23.07 -34.01 0.06 11 0 "[ . 1 . 2]"
9 . 1 12 ALA C 1 13 GLN N 1 13 GLN CA 1 13 GLN C -170.00 -30.00 -88.24 -160.33 -52.34 . . 0 "[ . 1 . 2]"
10 . 1 15 GLY C 1 16 SER N 1 16 SER CA 1 16 SER C 174.00 -26.00 -110.21 -67.19 -70.09 . . 0 "[ . 1 . 2]"
11 . 1 16 SER N 1 16 SER CA 1 16 SER C 1 17 ILE N 116.00 180.00 152.20 116.81 179.99 . . 0 "[ . 1 . 2]"
12 . 1 16 SER C 1 17 ILE N 1 17 ILE CA 1 17 ILE C -170.00 -30.00 -112.80 -74.09 -79.14 . . 0 "[ . 1 . 2]"
13 . 1 17 ILE C 1 18 HIS N 1 18 HIS CA 1 18 HIS C -170.00 -30.00 -95.19 -86.40 -159.30 0.02 4 0 "[ . 1 . 2]"
14 . 1 18 HIS C 1 19 SER N 1 19 SER CA 1 19 SER C -170.00 -30.00 -98.72 -70.84 -71.17 0.03 6 0 "[ . 1 . 2]"
15 . 1 20 GLY C 1 21 ARG N 1 21 ARG CA 1 21 ARG C -170.00 -30.00 -84.51 -170.06 -49.65 0.06 2 0 "[ . 1 . 2]"
16 . 1 21 ARG C 1 22 ILE N 1 22 ILE CA 1 22 ILE C -170.00 -30.00 -143.26 -143.94 -139.57 . . 0 "[ . 1 . 2]"
17 . 1 22 ILE C 1 23 ALA N 1 23 ALA CA 1 23 ALA C -170.00 -30.00 -99.50 -115.47 -87.66 . . 0 "[ . 1 . 2]"
18 . 1 23 ALA C 1 24 ALA N 1 24 ALA CA 1 24 ALA C -162.00 -42.00 -148.38 -149.42 -151.43 . . 0 "[ . 1 . 2]"
19 . 1 24 ALA N 1 24 ALA CA 1 24 ALA C 1 25 VAL N 91.00 -177.00 -174.65 -175.25 -174.12 2.88 6 0 "[ . 1 . 2]"
20 . 1 24 ALA C 1 25 VAL N 1 25 VAL CA 1 25 VAL C -133.00 -75.80 -75.98 -75.35 -75.46 1.46 15 0 "[ . 1 . 2]"
21 . 1 25 VAL N 1 25 VAL CA 1 25 VAL C 1 26 HIS N 109.90 159.10 143.49 141.35 144.66 . . 0 "[ . 1 . 2]"
22 . 1 25 VAL C 1 26 HIS N 1 26 HIS CA 1 26 HIS C -174.30 -85.50 -150.20 -152.50 -145.42 . . 0 "[ . 1 . 2]"
23 . 1 26 HIS N 1 26 HIS CA 1 26 HIS C 1 27 ASN N 125.00 172.20 148.28 146.94 145.79 . . 0 "[ . 1 . 2]"
24 . 1 26 HIS C 1 27 ASN N 1 27 ASN CA 1 27 ASN C -152.40 -55.60 -86.90 -102.85 -80.18 . . 0 "[ . 1 . 2]"
25 . 1 27 ASN N 1 27 ASN CA 1 27 ASN C 1 28 VAL N 93.40 151.80 95.01 96.14 95.79 0.31 6 0 "[ . 1 . 2]"
26 . 1 27 ASN C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -159.10 -68.30 -88.42 -91.06 -86.18 . . 0 "[ . 1 . 2]"
27 . 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 PRO N 87.40 159.80 124.79 124.87 124.70 . . 0 "[ . 1 . 2]"
28 . 1 28 VAL C 1 29 PRO N 1 29 PRO CA 1 29 PRO C -73.30 -50.90 -47.76 -47.24 -47.40 3.88 9 0 "[ . 1 . 2]"
29 . 1 29 PRO N 1 29 PRO CA 1 29 PRO C 1 30 LEU N 87.40 159.80 140.87 141.01 140.66 . . 0 "[ . 1 . 2]"
30 . 1 29 PRO C 1 30 LEU N 1 30 LEU CA 1 30 LEU C -73.00 -41.00 -67.32 -69.98 -66.25 . . 0 "[ . 1 . 2]"
31 . 1 30 LEU N 1 30 LEU CA 1 30 LEU C 1 31 SER N -68.00 -12.00 -31.27 -34.31 -28.50 . . 0 "[ . 1 . 2]"
32 . 1 30 LEU C 1 31 SER N 1 31 SER CA 1 31 SER C -83.10 -43.50 -64.94 -67.72 -68.05 . . 0 "[ . 1 . 2]"
33 . 1 31 SER N 1 31 SER CA 1 31 SER C 1 32 VAL N -43.10 -12.90 -23.20 -16.73 -16.98 0.68 6 0 "[ . 1 . 2]"
34 . 1 31 SER C 1 32 VAL N 1 32 VAL CA 1 32 VAL C -134.50 -66.70 -105.92 -111.44 -112.19 . . 0 "[ . 1 . 2]"
35 . 1 32 VAL N 1 32 VAL CA 1 32 VAL C 1 33 LEU N -46.60 26.20 24.85 18.63 26.28 0.08 19 0 "[ . 1 . 2]"
36 . 1 32 VAL C 1 33 LEU N 1 33 LEU CA 1 33 LEU C -97.90 -46.50 -91.27 -97.78 -85.32 . . 0 "[ . 1 . 2]"
37 . 1 33 LEU N 1 33 LEU CA 1 33 LEU C 1 34 ILE N 79.40 174.60 131.22 123.22 139.29 . . 0 "[ . 1 . 2]"
38 . 1 33 LEU C 1 34 ILE N 1 34 ILE CA 1 34 ILE C -114.60 -49.40 -99.43 -99.00 -102.47 . . 0 "[ . 1 . 2]"
39 . 1 34 ILE N 1 34 ILE CA 1 34 ILE C 1 35 ARG N 104.60 145.40 117.86 118.61 116.93 . . 0 "[ . 1 . 2]"
40 . 1 34 ILE C 1 35 ARG N 1 35 ARG CA 1 35 ARG C -131.60 -57.20 -133.87 -135.42 -132.26 3.82 7 0 "[ . 1 . 2]"
41 . 1 35 ARG N 1 35 ARG CA 1 35 ARG C 1 36 PRO N 103.30 -174.90 95.29 93.44 96.63 9.86 6 20 [*****+*************-]
42 . 1 36 PRO C 1 37 LEU N 1 37 LEU CA 1 37 LEU C -140.40 -57.20 -139.91 -134.94 -138.40 2.08 12 0 "[ . 1 . 2]"
43 . 1 37 LEU N 1 37 LEU CA 1 37 LEU C 1 38 PRO N 89.30 -169.10 104.07 101.85 97.85 1.56 17 0 "[ . 1 . 2]"
44 . 1 37 LEU C 1 38 PRO N 1 38 PRO CA 1 38 PRO C -73.70 -45.30 -60.74 -48.02 -48.64 3.23 4 0 "[ . 1 . 2]"
45 . 1 38 PRO N 1 38 PRO CA 1 38 PRO C 1 39 SER N 120.80 168.60 167.90 169.49 169.44 1.16 14 0 "[ . 1 . 2]"
46 . 1 38 PRO C 1 39 SER N 1 39 SER CA 1 39 SER C 176.20 -39.20 -155.37 -159.96 -147.46 . . 0 "[ . 1 . 2]"
47 . 1 39 SER N 1 39 SER CA 1 39 SER C 1 40 VAL N 106.20 168.20 164.45 160.12 168.91 0.71 20 0 "[ . 1 . 2]"
48 . 1 39 SER C 1 40 VAL N 1 40 VAL CA 1 40 VAL C -118.30 -43.10 -99.41 -108.65 -85.53 . . 0 "[ . 1 . 2]"
49 . 1 40 VAL N 1 40 VAL CA 1 40 VAL C 1 41 LEU N 111.00 142.40 114.57 110.45 110.24 2.11 20 0 "[ . 1 . 2]"
50 . 1 40 VAL C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -144.50 -54.90 -96.29 -92.43 -92.85 . . 0 "[ . 1 . 2]"
51 . 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 ASP N 103.70 144.10 146.38 145.71 146.86 2.76 7 0 "[ . 1 . 2]"
52 . 1 41 LEU C 1 42 ASP N 1 42 ASP CA 1 42 ASP C -144.90 -48.70 -103.22 -113.14 -95.38 . . 0 "[ . 1 . 2]"
53 . 1 42 ASP N 1 42 ASP CA 1 42 ASP C 1 43 PRO N 70.00 163.00 134.98 137.27 134.40 . . 0 "[ . 1 . 2]"
54 . 1 43 PRO C 1 44 ALA N 1 44 ALA CA 1 44 ALA C -84.80 -49.20 -84.10 -83.10 -84.16 2.47 6 0 "[ . 1 . 2]"
55 . 1 44 ALA N 1 44 ALA CA 1 44 ALA C 1 45 LYS N -48.70 -30.50 -41.29 -45.27 -34.27 . . 0 "[ . 1 . 2]"
56 . 1 44 ALA C 1 45 LYS N 1 45 LYS CA 1 45 LYS C -76.30 -57.30 -71.87 -72.21 -73.28 0.21 18 0 "[ . 1 . 2]"
57 . 1 45 LYS N 1 45 LYS CA 1 45 LYS C 1 46 VAL N -47.90 -32.90 -31.88 -38.76 -29.88 3.02 1 0 "[ . 1 . 2]"
58 . 1 45 LYS C 1 46 VAL N 1 46 VAL CA 1 46 VAL C -71.10 -57.30 -69.27 -70.97 -71.92 2.04 4 0 "[ . 1 . 2]"
59 . 1 46 VAL N 1 46 VAL CA 1 46 VAL C 1 47 GLN N -52.80 -36.00 -42.11 -53.60 -34.92 1.08 1 0 "[ . 1 . 2]"
60 . 1 46 VAL C 1 47 GLN N 1 47 GLN CA 1 47 GLN C -66.50 -50.30 -60.42 -67.08 -49.78 0.58 18 0 "[ . 1 . 2]"
61 . 1 47 GLN N 1 47 GLN CA 1 47 GLN C 1 48 SER N -50.00 -35.00 -40.19 -46.75 -35.60 . . 0 "[ . 1 . 2]"
62 . 1 47 GLN C 1 48 SER N 1 48 SER CA 1 48 SER C -71.60 -53.60 -61.47 -60.50 -61.41 0.07 12 0 "[ . 1 . 2]"
63 . 1 48 SER N 1 48 SER CA 1 48 SER C 1 49 LEU N -46.60 -37.80 -39.03 -39.63 -40.81 0.41 18 0 "[ . 1 . 2]"
64 . 1 48 SER C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -84.70 -47.50 -73.95 -77.58 -63.79 . . 0 "[ . 1 . 2]"
65 . 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 VAL N -52.70 -27.10 -46.76 -50.47 -41.96 . . 0 "[ . 1 . 2]"
66 . 1 49 LEU C 1 50 VAL N 1 50 VAL CA 1 50 VAL C -73.10 -57.90 -55.32 -55.50 -55.67 3.53 11 0 "[ . 1 . 2]"
67 . 1 50 VAL N 1 50 VAL CA 1 50 VAL C 1 51 ASP N -54.90 -30.70 -32.19 -36.53 -28.70 2.00 6 0 "[ . 1 . 2]"
68 . 1 50 VAL C 1 51 ASP N 1 51 ASP CA 1 51 ASP C -74.90 -49.30 -76.32 -77.27 -75.16 2.37 9 0 "[ . 1 . 2]"
69 . 1 51 ASP N 1 51 ASP CA 1 51 ASP C 1 52 THR N -56.10 -20.70 -36.39 -41.80 -32.22 . . 0 "[ . 1 . 2]"
70 . 1 51 ASP C 1 52 THR N 1 52 THR CA 1 52 THR C -79.10 -54.30 -65.95 -64.64 -64.99 . . 0 "[ . 1 . 2]"
71 . 1 52 THR N 1 52 THR CA 1 52 THR C 1 53 ILE N -51.30 -30.10 -50.59 -51.82 -45.54 0.52 17 0 "[ . 1 . 2]"
72 . 1 52 THR C 1 53 ILE N 1 53 ILE CA 1 53 ILE C -69.30 -58.10 -58.80 -58.56 -60.17 2.25 18 0 "[ . 1 . 2]"
73 . 1 53 ILE N 1 53 ILE CA 1 53 ILE C 1 54 ARG N -59.20 -35.20 -40.56 -41.82 -36.34 . . 0 "[ . 1 . 2]"
74 . 1 53 ILE C 1 54 ARG N 1 54 ARG CA 1 54 ARG C -76.80 -48.60 -76.92 -77.04 -77.13 2.06 10 0 "[ . 1 . 2]"
75 . 1 54 ARG N 1 54 ARG CA 1 54 ARG C 1 55 GLU N -57.30 -19.70 -31.95 -41.56 -23.13 . . 0 "[ . 1 . 2]"
76 . 1 54 ARG C 1 55 GLU N 1 55 GLU CA 1 55 GLU C -98.80 -50.00 -88.46 -90.43 -91.43 . . 0 "[ . 1 . 2]"
77 . 1 55 GLU N 1 55 GLU CA 1 55 GLU C 1 56 ASP N -73.60 7.20 -35.51 -37.09 -37.62 . . 0 "[ . 1 . 2]"
78 . 1 57 PRO C 1 58 ASP N 1 58 ASP CA 1 58 ASP C -92.20 -36.00 -88.06 -88.13 -88.73 1.92 6 0 "[ . 1 . 2]"
79 . 1 58 ASP N 1 58 ASP CA 1 58 ASP C 1 59 SER N -84.90 20.10 -28.09 -46.23 3.41 . . 0 "[ . 1 . 2]"
80 . 1 59 SER C 1 60 VAL N 1 60 VAL CA 1 60 VAL C -154.80 -53.40 -122.23 -119.52 -120.49 . . 0 "[ . 1 . 2]"
81 . 1 60 VAL N 1 60 VAL CA 1 60 VAL C 1 61 PRO N 65.40 176.60 107.22 106.68 104.71 . . 0 "[ . 1 . 2]"
82 . 1 60 VAL C 1 61 PRO N 1 61 PRO CA 1 61 PRO C -79.10 -50.90 -74.16 -79.84 -51.56 0.74 16 0 "[ . 1 . 2]"
83 . 1 61 PRO N 1 61 PRO CA 1 61 PRO C 1 62 PRO N 126.50 169.70 161.70 156.19 163.07 . . 0 "[ . 1 . 2]"
84 . 1 63 ILE C 1 64 ASP N 1 64 ASP CA 1 64 ASP C -113.30 -58.70 -88.93 -91.72 -84.56 . . 0 "[ . 1 . 2]"
85 . 1 64 ASP N 1 64 ASP CA 1 64 ASP C 1 65 VAL N 95.90 159.10 134.79 134.07 132.93 . . 0 "[ . 1 . 2]"
86 . 1 64 ASP C 1 65 VAL N 1 65 VAL CA 1 65 VAL C -135.40 -113.20 -137.69 -140.04 -132.75 4.64 14 0 "[ . 1 . 2]"
87 . 1 65 VAL N 1 65 VAL CA 1 65 VAL C 1 66 LEU N 118.30 146.30 138.73 135.21 141.92 . . 0 "[ . 1 . 2]"
88 . 1 65 VAL C 1 66 LEU N 1 66 LEU CA 1 66 LEU C -139.30 -85.90 -87.38 -87.43 -88.47 0.73 3 0 "[ . 1 . 2]"
89 . 1 66 LEU N 1 66 LEU CA 1 66 LEU C 1 67 TRP N 94.30 146.50 133.41 124.46 142.46 . . 0 "[ . 1 . 2]"
90 . 1 66 LEU C 1 67 TRP N 1 67 TRP CA 1 67 TRP C -131.20 -82.60 -111.39 -122.13 -102.27 . . 0 "[ . 1 . 2]"
91 . 1 67 TRP N 1 67 TRP CA 1 67 TRP C 1 68 ILE N 105.20 140.00 110.51 109.63 108.47 2.23 16 0 "[ . 1 . 2]"
92 . 1 67 TRP C 1 68 ILE N 1 68 ILE CA 1 68 ILE C -161.10 -92.90 -128.00 -133.69 -119.21 . . 0 "[ . 1 . 2]"
93 . 1 68 ILE N 1 68 ILE CA 1 68 ILE C 1 69 LYS N 103.80 160.20 145.59 147.73 146.32 . . 0 "[ . 1 . 2]"
94 . 1 68 ILE C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -147.00 -79.00 -107.19 -108.12 -108.42 . . 0 "[ . 1 . 2]"
95 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 GLY N 121.20 154.40 156.93 158.36 157.60 3.96 2 0 "[ . 1 . 2]"
96 . 1 70 GLY C 1 71 ALA N 1 71 ALA CA 1 71 ALA C -72.10 -49.30 -69.20 -71.63 -67.18 . . 0 "[ . 1 . 2]"
97 . 1 70 GLY C 1 71 ALA N 1 71 ALA CA 1 71 ALA C -124.00 -68.00 -69.20 -71.63 -67.18 0.82 10 0 "[ . 1 . 2]"
98 . 1 71 ALA N 1 71 ALA CA 1 71 ALA C 1 72 GLN N -47.20 -8.40 -7.08 -12.84 -4.56 3.84 10 0 "[ . 1 . 2]"
99 . 1 71 ALA N 1 71 ALA CA 1 71 ALA C 1 72 GLN N -18.00 34.00 -7.08 -12.84 -4.56 . . 0 "[ . 1 . 2]"
100 . 1 74 GLY C 1 75 ASP N 1 75 ASP CA 1 75 ASP C -172.00 -44.00 -77.52 -76.11 -76.49 . . 0 "[ . 1 . 2]"
101 . 1 75 ASP N 1 75 ASP CA 1 75 ASP C 1 76 TYR N 104.00 -172.00 134.12 130.92 136.40 . . 0 "[ . 1 . 2]"
102 . 1 75 ASP C 1 76 TYR N 1 76 TYR CA 1 76 TYR C -145.20 -86.00 -128.70 -129.97 -131.82 . . 0 "[ . 1 . 2]"
103 . 1 76 TYR N 1 76 TYR CA 1 76 TYR C 1 77 PHE N 101.30 165.30 128.77 122.76 149.29 . . 0 "[ . 1 . 2]"
104 . 1 76 TYR C 1 77 PHE N 1 77 PHE CA 1 77 PHE C -142.80 -78.20 -103.96 -103.54 -104.28 . . 0 "[ . 1 . 2]"
105 . 1 77 PHE N 1 77 PHE CA 1 77 PHE C 1 78 TYR N 106.50 147.70 119.64 115.51 123.00 . . 0 "[ . 1 . 2]"
106 . 1 77 PHE C 1 78 TYR N 1 78 TYR CA 1 78 TYR C 179.00 -86.20 -107.34 -105.81 -106.60 . . 0 "[ . 1 . 2]"
107 . 1 78 TYR N 1 78 TYR CA 1 78 TYR C 1 79 SER N 125.30 -172.50 133.34 126.39 142.52 . . 0 "[ . 1 . 2]"
108 . 1 78 TYR C 1 79 SER N 1 79 SER CA 1 79 SER C -170.80 -49.60 -123.60 -124.46 -125.60 . . 0 "[ . 1 . 2]"
109 . 1 79 SER N 1 79 SER CA 1 79 SER C 1 80 PHE N 110.80 160.20 131.18 134.01 133.33 . . 0 "[ . 1 . 2]"
110 . 1 79 SER C 1 80 PHE N 1 80 PHE CA 1 80 PHE C -160.40 -36.80 -131.46 -133.82 -134.49 . . 0 "[ . 1 . 2]"
111 . 1 80 PHE N 1 80 PHE CA 1 80 PHE C 1 81 GLY N 100.60 -172.80 89.23 86.03 91.28 14.57 18 20 [******-**********+**]
112 . 1 82 GLY C 1 83 CYS N 1 83 CYS CA 1 83 CYS C -74.50 -50.70 -54.42 -51.23 -52.20 1.26 19 0 "[ . 1 . 2]"
113 . 1 83 CYS N 1 83 CYS CA 1 83 CYS C 1 84 HIS N -56.40 -25.60 -52.21 -52.87 -54.79 0.65 13 0 "[ . 1 . 2]"
114 . 1 83 CYS C 1 84 HIS N 1 84 HIS CA 1 84 HIS C -78.70 -55.10 -61.74 -76.03 -54.84 0.26 16 0 "[ . 1 . 2]"
115 . 1 84 HIS N 1 84 HIS CA 1 84 HIS C 1 85 ARG N -55.10 -19.90 -43.01 -55.08 -30.63 . . 0 "[ . 1 . 2]"
116 . 1 84 HIS C 1 85 ARG N 1 85 ARG CA 1 85 ARG C -71.70 -53.90 -62.40 -60.05 -63.92 0.42 20 0 "[ . 1 . 2]"
117 . 1 85 ARG N 1 85 ARG CA 1 85 ARG C 1 86 TYR N -52.20 -32.40 -30.31 -30.92 -31.10 4.34 2 0 "[ . 1 . 2]"
118 . 1 85 ARG C 1 86 TYR N 1 86 TYR CA 1 86 TYR C -73.60 -53.40 -67.86 -72.26 -65.05 . . 0 "[ . 1 . 2]"
119 . 1 86 TYR N 1 86 TYR CA 1 86 TYR C 1 87 ALA N -64.10 -24.50 -42.99 -45.49 -39.79 . . 0 "[ . 1 . 2]"
120 . 1 86 TYR C 1 87 ALA N 1 87 ALA CA 1 87 ALA C -74.50 -58.70 -59.33 -61.08 -57.79 0.91 9 0 "[ . 1 . 2]"
121 . 1 87 ALA N 1 87 ALA CA 1 87 ALA C 1 88 ALA N -48.20 -18.00 -44.44 -41.31 -42.77 0.11 4 0 "[ . 1 . 2]"
122 . 1 87 ALA C 1 88 ALA N 1 88 ALA CA 1 88 ALA C -83.60 -55.60 -60.03 -65.57 -55.11 0.49 4 0 "[ . 1 . 2]"
123 . 1 88 ALA N 1 88 ALA CA 1 88 ALA C 1 89 TYR N -53.10 -24.30 -45.71 -49.24 -40.73 . . 0 "[ . 1 . 2]"
124 . 1 88 ALA C 1 89 TYR N 1 89 TYR CA 1 89 TYR C -78.80 -46.80 -68.11 -65.39 -66.12 . . 0 "[ . 1 . 2]"
125 . 1 89 TYR N 1 89 TYR CA 1 89 TYR C 1 90 GLN N -53.00 -34.60 -41.58 -44.26 -35.58 . . 0 "[ . 1 . 2]"
126 . 1 89 TYR C 1 90 GLN N 1 90 GLN CA 1 90 GLN C -70.60 -55.40 -64.08 -62.63 -64.42 0.09 6 0 "[ . 1 . 2]"
127 . 1 90 GLN N 1 90 GLN CA 1 90 GLN C 1 91 GLN N -52.00 -18.00 -41.74 -52.01 -31.10 0.01 17 0 "[ . 1 . 2]"
128 . 1 90 GLN C 1 91 GLN N 1 91 GLN CA 1 91 GLN C -75.70 -53.10 -63.49 -62.73 -67.13 . . 0 "[ . 1 . 2]"
129 . 1 91 GLN N 1 91 GLN CA 1 91 GLN C 1 92 LEU N -55.60 -9.40 -40.52 -46.12 -31.67 . . 0 "[ . 1 . 2]"
130 . 1 91 GLN C 1 92 LEU N 1 92 LEU CA 1 92 LEU C -114.10 -62.70 -73.46 -73.53 -74.04 . . 0 "[ . 1 . 2]"
131 . 1 92 LEU N 1 92 LEU CA 1 92 LEU C 1 93 GLN N -31.30 30.70 10.24 11.78 11.34 . . 0 "[ . 1 . 2]"
132 . 1 92 LEU C 1 93 GLN N 1 93 GLN CA 1 93 GLN C 45.00 73.00 45.88 41.77 50.80 3.23 15 0 "[ . 1 . 2]"
133 . 1 93 GLN N 1 93 GLN CA 1 93 GLN C 1 94 ARG N 20.00 60.00 38.12 45.65 43.17 0.31 7 0 "[ . 1 . 2]"
134 . 1 95 GLU C 1 96 THR N 1 96 THR CA 1 96 THR C -155.80 -79.60 -133.90 -135.52 -132.10 . . 0 "[ . 1 . 2]"
135 . 1 96 THR N 1 96 THR CA 1 96 THR C 1 97 ILE N 139.30 174.50 177.39 177.18 177.05 3.38 4 0 "[ . 1 . 2]"
136 . 1 96 THR C 1 97 ILE N 1 97 ILE CA 1 97 ILE C -155.80 -79.60 -139.17 -140.32 -137.35 . . 0 "[ . 1 . 2]"
137 . 1 97 ILE N 1 97 ILE CA 1 97 ILE C 1 98 PRO N 139.30 174.50 141.30 140.95 140.64 . . 0 "[ . 1 . 2]"
138 . 1 97 ILE C 1 98 PRO N 1 98 PRO CA 1 98 PRO C -130.00 -46.00 -68.74 -67.47 -67.82 . . 0 "[ . 1 . 2]"
139 . 1 98 PRO N 1 98 PRO CA 1 98 PRO C 1 99 ALA N 97.00 157.00 130.96 119.75 135.85 . . 0 "[ . 1 . 2]"
140 . 1 98 PRO C 1 99 ALA N 1 99 ALA CA 1 99 ALA C -154.20 -88.20 -151.24 -155.03 -135.37 0.83 14 0 "[ . 1 . 2]"
141 . 1 99 ALA N 1 99 ALA CA 1 99 ALA C 1 100 LYS N 108.40 167.40 133.90 132.27 129.45 . . 0 "[ . 1 . 2]"
142 . 1 99 ALA C 1 100 LYS N 1 100 LYS CA 1 100 LYS C -126.50 -63.10 -77.34 -81.78 -70.90 . . 0 "[ . 1 . 2]"
143 . 1 100 LYS N 1 100 LYS CA 1 100 LYS C 1 101 LEU N 105.50 152.10 116.43 110.29 123.94 . . 0 "[ . 1 . 2]"
144 . 1 100 LYS C 1 101 LEU N 1 101 LEU CA 1 101 LEU C -123.40 -68.40 -78.50 -84.95 -87.86 . . 0 "[ . 1 . 2]"
145 . 1 101 LEU N 1 101 LEU CA 1 101 LEU C 1 102 VAL N 102.10 151.90 136.78 137.28 136.46 . . 0 "[ . 1 . 2]"
146 . 1 101 LEU C 1 102 VAL N 1 102 VAL CA 1 102 VAL C -142.30 -75.30 -134.25 -138.15 -126.16 . . 0 "[ . 1 . 2]"
147 . 1 102 VAL N 1 102 VAL CA 1 102 VAL C 1 103 GLN N 103.20 156.60 106.84 101.64 116.27 1.56 3 0 "[ . 1 . 2]"
148 . 1 103 GLN C 1 104 SER N 1 104 SER CA 1 104 SER C -177.00 -57.00 -137.53 -136.13 -138.15 . . 0 "[ . 1 . 2]"
149 . 1 104 SER N 1 104 SER CA 1 104 SER C 1 105 THR N 81.00 -179.00 -179.14 178.31 -177.77 1.23 3 0 "[ . 1 . 2]"
150 . 1 104 SER C 1 105 THR N 1 105 THR CA 1 105 THR C -133.00 -61.00 -125.38 -122.61 -126.72 . . 0 "[ . 1 . 2]"
151 . 1 105 THR N 1 105 THR CA 1 105 THR C 1 106 LEU N 161.00 -175.00 161.02 160.62 160.52 2.00 3 0 "[ . 1 . 2]"
152 . 1 105 THR C 1 106 LEU N 1 106 LEU CA 1 106 LEU C -64.20 -51.80 -55.38 -57.28 -53.32 . . 0 "[ . 1 . 2]"
153 . 1 106 LEU N 1 106 LEU CA 1 106 LEU C 1 107 SER N -54.10 -20.90 -33.32 -40.50 -23.11 . . 0 "[ . 1 . 2]"
154 . 1 106 LEU C 1 107 SER N 1 107 SER CA 1 107 SER C -77.70 -54.30 -56.38 -55.92 -58.39 1.04 16 0 "[ . 1 . 2]"
155 . 1 107 SER N 1 107 SER CA 1 107 SER C 1 108 ASP N -49.30 -28.70 -45.35 -49.47 -38.06 0.17 4 0 "[ . 1 . 2]"
156 . 1 107 SER C 1 108 ASP N 1 108 ASP CA 1 108 ASP C -78.20 -56.00 -56.40 -55.43 -55.86 1.05 6 0 "[ . 1 . 2]"
157 . 1 108 ASP N 1 108 ASP CA 1 108 ASP C 1 109 LEU N -52.50 -29.50 -42.70 -46.93 -37.20 . . 0 "[ . 1 . 2]"
158 . 1 108 ASP C 1 109 LEU N 1 109 LEU CA 1 109 LEU C -81.60 -52.60 -62.36 -60.19 -61.82 . . 0 "[ . 1 . 2]"
159 . 1 109 LEU N 1 109 LEU CA 1 109 LEU C 1 110 ARG N -76.30 6.90 -35.86 -39.55 -31.77 . . 0 "[ . 1 . 2]"
160 . 1 109 LEU C 1 110 ARG N 1 110 ARG CA 1 110 ARG C -80.10 -56.70 -59.71 -59.09 -61.31 0.40 13 0 "[ . 1 . 2]"
161 . 1 110 ARG N 1 110 ARG CA 1 110 ARG C 1 111 VAL N -53.70 -27.50 -35.65 -40.93 -26.80 0.70 14 0 "[ . 1 . 2]"
162 . 1 110 ARG C 1 111 VAL N 1 111 VAL CA 1 111 VAL C -81.00 -53.00 -59.17 -67.60 -53.44 . . 0 "[ . 1 . 2]"
163 . 1 111 VAL N 1 111 VAL CA 1 111 VAL C 1 112 TYR N -55.00 -31.00 -34.41 -34.55 -34.71 . . 0 "[ . 1 . 2]"
164 . 1 111 VAL C 1 112 TYR N 1 112 TYR CA 1 112 TYR C -89.00 -45.00 -90.36 -90.95 -89.54 1.95 14 0 "[ . 1 . 2]"
165 . 1 112 TYR N 1 112 TYR CA 1 112 TYR C 1 113 LEU N -47.00 -19.00 -48.21 -48.87 -47.17 1.87 2 0 "[ . 1 . 2]"
166 . 1 116 SER C 1 117 THR N 1 117 THR CA 1 117 THR C -105.00 -45.00 -75.92 -77.91 -78.31 . . 0 "[ . 1 . 2]"
167 . 1 117 THR N 1 117 THR CA 1 117 THR C 1 118 PRO N 105.00 157.00 118.67 116.69 121.73 . . 0 "[ . 1 . 2]"
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