NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
622303 |
5h3m   |
36026 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_5h3m
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 173
_TA_constraint_stats_list.Viol_count 483
_TA_constraint_stats_list.Viol_total 5703.24
_TA_constraint_stats_list.Viol_max 2.92
_TA_constraint_stats_list.Viol_rms 0.33
_TA_constraint_stats_list.Viol_average_all_restraints 0.08
_TA_constraint_stats_list.Viol_average_violations_only 0.59
_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 3 PRO C 1 4 GLU N 1 4 GLU CA 1 4 GLU C -83.00 -43.00 -65.86 -71.64 -79.56 0.12 7 0 "[ . 1 . 2]"
2 . 1 4 GLU N 1 4 GLU CA 1 4 GLU C 1 5 PHE N -57.00 -13.00 -33.38 -49.57 -51.43 0.14 8 0 "[ . 1 . 2]"
3 . 1 4 GLU C 1 5 PHE N 1 5 PHE CA 1 5 PHE C -92.00 -38.00 -54.33 -72.79 -41.62 . . 0 "[ . 1 . 2]"
4 . 1 5 PHE N 1 5 PHE CA 1 5 PHE C 1 6 LEU N -63.00 -23.00 -31.93 -36.14 -37.32 0.20 20 0 "[ . 1 . 2]"
5 . 1 5 PHE C 1 6 LEU N 1 6 LEU CA 1 6 LEU C -113.00 -29.00 -73.98 -80.82 -82.41 . . 0 "[ . 1 . 2]"
6 . 1 6 LEU N 1 6 LEU CA 1 6 LEU C 1 7 LYS N -68.00 -8.00 -26.17 -36.72 -8.43 . . 0 "[ . 1 . 2]"
7 . 1 6 LEU C 1 7 LYS N 1 7 LYS CA 1 7 LYS C -125.00 -65.00 -92.36 -125.16 -64.80 0.20 12 0 "[ . 1 . 2]"
8 . 1 7 LYS N 1 7 LYS CA 1 7 LYS C 1 8 ALA N -61.00 39.00 -38.70 -32.81 -41.42 0.37 19 0 "[ . 1 . 2]"
9 . 1 8 ALA C 1 9 GLY N 1 9 GLY CA 1 9 GLY C 27.00 127.00 64.81 41.68 106.74 . . 0 "[ . 1 . 2]"
10 . 1 9 GLY N 1 9 GLY CA 1 9 GLY C 1 10 LYS N -43.00 57.00 43.87 17.00 57.21 0.21 8 0 "[ . 1 . 2]"
11 . 1 9 GLY C 1 10 LYS N 1 10 LYS CA 1 10 LYS C -142.00 -42.00 -69.64 -142.16 -41.66 0.34 6 0 "[ . 1 . 2]"
12 . 1 10 LYS N 1 10 LYS CA 1 10 LYS C 1 11 GLU N -69.00 3.00 -17.89 -33.72 2.63 . . 0 "[ . 1 . 2]"
13 . 1 13 GLY C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -155.00 -55.00 -125.29 -140.30 -110.86 . . 0 "[ . 1 . 2]"
14 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 GLN N 103.00 179.00 139.65 141.81 133.65 . . 0 "[ . 1 . 2]"
15 . 1 14 LEU C 1 15 GLN N 1 15 GLN CA 1 15 GLN C -152.00 -52.00 -130.21 -145.03 -96.63 . . 0 "[ . 1 . 2]"
16 . 1 15 GLN N 1 15 GLN CA 1 15 GLN C 1 16 ILE N 95.00 167.00 149.76 138.90 163.96 . . 0 "[ . 1 . 2]"
17 . 1 15 GLN C 1 16 ILE N 1 16 ILE CA 1 16 ILE C -156.00 -90.00 -124.21 -124.56 -124.96 . . 0 "[ . 1 . 2]"
18 . 1 16 ILE N 1 16 ILE CA 1 16 ILE C 1 17 TRP N 113.00 153.00 137.21 113.21 152.26 . . 0 "[ . 1 . 2]"
19 . 1 16 ILE C 1 17 TRP N 1 17 TRP CA 1 17 TRP C -155.00 -89.00 -143.55 -143.37 -144.89 0.08 6 0 "[ . 1 . 2]"
20 . 1 17 TRP N 1 17 TRP CA 1 17 TRP C 1 18 ARG N 111.00 171.00 117.13 110.58 147.65 0.42 14 0 "[ . 1 . 2]"
21 . 1 17 TRP C 1 18 ARG N 1 18 ARG CA 1 18 ARG C -165.00 -65.00 -84.24 -95.24 -106.64 . . 0 "[ . 1 . 2]"
22 . 1 18 ARG N 1 18 ARG CA 1 18 ARG C 1 19 VAL N 106.00 146.00 139.20 135.85 131.44 0.43 18 0 "[ . 1 . 2]"
23 . 1 18 ARG C 1 19 VAL N 1 19 VAL CA 1 19 VAL C -136.00 -70.00 -90.40 -114.11 -69.80 0.20 6 0 "[ . 1 . 2]"
24 . 1 19 VAL N 1 19 VAL CA 1 19 VAL C 1 20 GLU N 102.00 142.00 143.37 142.65 144.17 2.17 6 0 "[ . 1 . 2]"
25 . 1 19 VAL C 1 20 GLU N 1 20 GLU CA 1 20 GLU C -159.00 -59.00 -149.54 -138.28 -142.90 0.62 14 0 "[ . 1 . 2]"
26 . 1 20 GLU N 1 20 GLU CA 1 20 GLU C 1 21 LYS N 76.00 176.00 103.84 109.60 103.86 . . 0 "[ . 1 . 2]"
27 . 1 22 PHE C 1 23 ASP N 1 23 ASP CA 1 23 ASP C -127.00 -27.00 -118.86 -127.99 -95.74 0.99 15 0 "[ . 1 . 2]"
28 . 1 24 LEU N 1 24 LEU CA 1 24 LEU C 1 25 VAL N 123.00 167.00 135.85 141.57 138.83 0.19 1 0 "[ . 1 . 2]"
29 . 1 24 LEU C 1 25 VAL N 1 25 VAL CA 1 25 VAL C -154.00 -54.00 -145.08 -154.39 -132.48 0.39 13 0 "[ . 1 . 2]"
30 . 1 25 VAL N 1 25 VAL CA 1 25 VAL C 1 26 PRO N 77.00 177.00 119.56 121.16 118.29 . . 0 "[ . 1 . 2]"
31 . 1 28 PRO C 1 29 THR N 1 29 THR CA 1 29 THR C -86.00 -38.00 -59.58 -60.00 -61.17 . . 0 "[ . 1 . 2]"
32 . 1 29 THR N 1 29 THR CA 1 29 THR C 1 30 ASN N -54.00 -10.00 -27.13 -22.81 -23.71 . . 0 "[ . 1 . 2]"
33 . 1 29 THR C 1 30 ASN N 1 30 ASN CA 1 30 ASN C -82.00 -42.00 -53.90 -82.29 -42.30 0.29 2 0 "[ . 1 . 2]"
34 . 1 30 ASN N 1 30 ASN CA 1 30 ASN C 1 31 LEU N -60.00 -20.00 -40.80 -34.89 -38.84 0.27 9 0 "[ . 1 . 2]"
35 . 1 30 ASN C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -136.00 -36.00 -96.55 -136.25 -76.85 0.25 15 0 "[ . 1 . 2]"
36 . 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 TYR N -55.00 13.00 -42.79 12.70 -53.13 0.73 7 0 "[ . 1 . 2]"
37 . 1 32 TYR C 1 33 GLY N 1 33 GLY CA 1 33 GLY C 57.00 123.00 111.96 56.38 123.88 0.88 18 0 "[ . 1 . 2]"
38 . 1 35 PHE N 1 35 PHE CA 1 35 PHE C 1 36 PHE N 120.00 168.00 147.75 150.44 143.03 0.49 11 0 "[ . 1 . 2]"
39 . 1 35 PHE C 1 36 PHE N 1 36 PHE CA 1 36 PHE C -165.00 -65.00 -86.90 -92.14 -96.33 . . 0 "[ . 1 . 2]"
40 . 1 36 PHE N 1 36 PHE CA 1 36 PHE C 1 37 THR N 103.00 171.00 118.59 122.27 114.45 0.22 9 0 "[ . 1 . 2]"
41 . 1 38 GLY N 1 38 GLY CA 1 38 GLY C 1 39 ASP N -73.00 27.00 -10.28 -22.90 -28.38 . . 0 "[ . 1 . 2]"
42 . 1 39 ASP C 1 40 ALA N 1 40 ALA CA 1 40 ALA C -166.00 -112.00 -137.10 -147.44 -111.93 0.07 4 0 "[ . 1 . 2]"
43 . 1 40 ALA N 1 40 ALA CA 1 40 ALA C 1 41 TYR N 141.00 -179.00 142.11 142.72 141.98 0.89 18 0 "[ . 1 . 2]"
44 . 1 40 ALA C 1 41 TYR N 1 41 TYR CA 1 41 TYR C -172.00 -76.00 -121.49 -131.06 -112.30 . . 0 "[ . 1 . 2]"
45 . 1 41 TYR N 1 41 TYR CA 1 41 TYR C 1 42 VAL N 122.00 170.00 130.79 121.70 164.18 0.30 2 0 "[ . 1 . 2]"
46 . 1 41 TYR C 1 42 VAL N 1 42 VAL CA 1 42 VAL C -148.00 -94.00 -105.50 -115.80 -121.23 0.32 8 0 "[ . 1 . 2]"
47 . 1 42 VAL N 1 42 VAL CA 1 42 VAL C 1 43 ILE N 101.00 145.00 127.20 135.70 133.57 . . 0 "[ . 1 . 2]"
48 . 1 42 VAL C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -152.00 -74.00 -124.98 -129.74 -132.89 . . 0 "[ . 1 . 2]"
49 . 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 LEU N 105.00 145.00 145.08 139.87 146.42 1.42 10 0 "[ . 1 . 2]"
50 . 1 43 ILE C 1 44 LEU N 1 44 LEU CA 1 44 LEU C -160.00 -64.00 -125.98 -118.74 -121.84 . . 0 "[ . 1 . 2]"
51 . 1 44 LEU N 1 44 LEU CA 1 44 LEU C 1 45 LYS N 88.00 -172.00 140.87 118.58 172.43 . . 0 "[ . 1 . 2]"
52 . 1 44 LEU C 1 45 LYS N 1 45 LYS CA 1 45 LYS C -176.00 -76.00 -127.42 -130.84 -137.31 . . 0 "[ . 1 . 2]"
53 . 1 45 LYS N 1 45 LYS CA 1 45 LYS C 1 46 THR N 95.00 155.00 94.21 94.58 94.31 1.79 13 0 "[ . 1 . 2]"
54 . 1 45 LYS C 1 46 THR N 1 46 THR CA 1 46 THR C -164.00 -64.00 -80.67 -80.35 -81.20 . . 0 "[ . 1 . 2]"
55 . 1 46 THR N 1 46 THR CA 1 46 THR C 1 47 VAL N 99.00 163.00 108.20 98.63 126.88 0.37 9 0 "[ . 1 . 2]"
56 . 1 46 THR C 1 47 VAL N 1 47 VAL CA 1 47 VAL C -151.00 -85.00 -96.91 -107.02 -85.22 . . 0 "[ . 1 . 2]"
57 . 1 47 VAL N 1 47 VAL CA 1 47 VAL C 1 48 GLN N 102.00 162.00 164.62 164.79 164.76 2.92 15 0 "[ . 1 . 2]"
58 . 1 47 VAL C 1 48 GLN N 1 48 GLN CA 1 48 GLN C -153.00 -53.00 -108.11 -111.46 -116.29 . . 0 "[ . 1 . 2]"
59 . 1 48 GLN N 1 48 GLN CA 1 48 GLN C 1 49 LEU N 101.00 157.00 125.12 101.56 158.00 1.00 16 0 "[ . 1 . 2]"
60 . 1 49 LEU C 1 50 ARG N 1 50 ARG CA 1 50 ARG C -140.00 -40.00 -116.50 -140.31 -42.84 0.31 10 0 "[ . 1 . 2]"
61 . 1 50 ARG N 1 50 ARG CA 1 50 ARG C 1 51 ASN N -63.00 25.00 -44.67 -63.31 -63.33 0.38 17 0 "[ . 1 . 2]"
62 . 1 55 GLN C 1 56 TYR N 1 56 TYR CA 1 56 TYR C -168.00 -72.00 -85.37 -100.89 -71.75 0.25 6 0 "[ . 1 . 2]"
63 . 1 56 TYR N 1 56 TYR CA 1 56 TYR C 1 57 ASP N 110.00 -178.00 119.29 108.73 131.82 1.27 6 0 "[ . 1 . 2]"
64 . 1 56 TYR C 1 57 ASP N 1 57 ASP CA 1 57 ASP C -167.00 -71.00 -90.53 -100.13 -103.00 . . 0 "[ . 1 . 2]"
65 . 1 57 ASP N 1 57 ASP CA 1 57 ASP C 1 58 LEU N 100.00 164.00 124.92 103.00 148.66 . . 0 "[ . 1 . 2]"
66 . 1 57 ASP C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -147.00 -75.00 -97.92 -130.18 -81.76 . . 0 "[ . 1 . 2]"
67 . 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 HIS N 103.00 143.00 123.28 102.54 143.82 0.82 19 0 "[ . 1 . 2]"
68 . 1 58 LEU C 1 59 HIS N 1 59 HIS CA 1 59 HIS C -157.00 -73.00 -136.04 -116.90 -122.24 . . 0 "[ . 1 . 2]"
69 . 1 59 HIS N 1 59 HIS CA 1 59 HIS C 1 60 TYR N 109.00 173.00 113.86 108.12 133.78 0.88 20 0 "[ . 1 . 2]"
70 . 1 59 HIS C 1 60 TYR N 1 60 TYR CA 1 60 TYR C -168.00 -84.00 -100.37 -108.71 -88.44 . . 0 "[ . 1 . 2]"
71 . 1 60 TYR N 1 60 TYR CA 1 60 TYR C 1 61 TRP N 107.00 175.00 122.07 112.15 140.33 . . 0 "[ . 1 . 2]"
72 . 1 60 TYR C 1 61 TRP N 1 61 TRP CA 1 61 TRP C -170.00 -86.00 -95.54 -108.85 -85.36 0.64 8 0 "[ . 1 . 2]"
73 . 1 61 TRP N 1 61 TRP CA 1 61 TRP C 1 62 LEU N 96.00 168.00 126.71 134.62 132.39 . . 0 "[ . 1 . 2]"
74 . 1 61 TRP C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -152.00 -52.00 -127.82 -137.39 -116.10 . . 0 "[ . 1 . 2]"
75 . 1 62 LEU N 1 62 LEU CA 1 62 LEU C 1 63 GLY N 106.00 178.00 112.23 114.35 111.87 0.44 4 0 "[ . 1 . 2]"
76 . 1 63 GLY C 1 64 ASN N 1 64 ASN CA 1 64 ASN C 22.00 88.00 62.82 49.73 70.30 . . 0 "[ . 1 . 2]"
77 . 1 64 ASN N 1 64 ASN CA 1 64 ASN C 1 65 GLU N 2.00 62.00 2.49 2.00 1.91 0.78 10 0 "[ . 1 . 2]"
78 . 1 64 ASN C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -144.00 -66.00 -107.68 -103.46 -104.88 . . 0 "[ . 1 . 2]"
79 . 1 65 GLU N 1 65 GLU CA 1 65 GLU C 1 66 CYS N -44.00 36.00 8.82 2.38 15.05 . . 0 "[ . 1 . 2]"
80 . 1 65 GLU C 1 66 CYS N 1 66 CYS CA 1 66 CYS C -143.00 -43.00 -101.89 -99.91 -100.72 . . 0 "[ . 1 . 2]"
81 . 1 66 CYS N 1 66 CYS CA 1 66 CYS C 1 67 SER N 106.00 146.00 137.58 144.03 141.03 0.21 19 0 "[ . 1 . 2]"
82 . 1 66 CYS C 1 67 SER N 1 67 SER CA 1 67 SER C -102.00 -42.00 -60.32 -85.90 -42.23 . . 0 "[ . 1 . 2]"
83 . 1 67 SER N 1 67 SER CA 1 67 SER C 1 68 GLN N 107.00 175.00 148.49 123.47 170.40 . . 0 "[ . 1 . 2]"
84 . 1 67 SER C 1 68 GLN N 1 68 GLN CA 1 68 GLN C -81.00 -39.00 -64.71 -50.69 -62.68 . . 0 "[ . 1 . 2]"
85 . 1 68 GLN N 1 68 GLN CA 1 68 GLN C 1 69 ASP N -61.00 -9.00 -15.99 -24.77 -25.78 0.30 17 0 "[ . 1 . 2]"
86 . 1 68 GLN C 1 69 ASP N 1 69 ASP CA 1 69 ASP C -88.00 -46.00 -67.81 -57.62 -58.81 . . 0 "[ . 1 . 2]"
87 . 1 69 ASP N 1 69 ASP CA 1 69 ASP C 1 70 GLU N -58.00 -18.00 -44.92 -58.31 -32.07 0.31 12 0 "[ . 1 . 2]"
88 . 1 69 ASP C 1 70 GLU N 1 70 GLU CA 1 70 GLU C -86.90 -46.90 -87.32 -87.85 -86.86 0.95 12 0 "[ . 1 . 2]"
89 . 1 70 GLU N 1 70 GLU CA 1 70 GLU C 1 71 SER N -60.50 -20.50 -37.73 -45.74 -28.03 . . 0 "[ . 1 . 2]"
90 . 1 70 GLU C 1 71 SER N 1 71 SER CA 1 71 SER C -84.80 -44.80 -60.17 -70.40 -51.71 . . 0 "[ . 1 . 2]"
91 . 1 71 SER N 1 71 SER CA 1 71 SER C 1 72 GLY N -60.40 -20.40 -56.26 -60.61 -49.76 0.21 12 0 "[ . 1 . 2]"
92 . 1 71 SER C 1 72 GLY N 1 72 GLY CA 1 72 GLY C -84.30 -44.30 -55.91 -52.79 -54.30 . . 0 "[ . 1 . 2]"
93 . 1 72 GLY N 1 72 GLY CA 1 72 GLY C 1 73 ALA N -60.10 -20.10 -46.85 -40.18 -40.50 . . 0 "[ . 1 . 2]"
94 . 1 72 GLY C 1 73 ALA N 1 73 ALA CA 1 73 ALA C -85.80 -45.80 -49.43 -58.07 -45.29 0.51 14 0 "[ . 1 . 2]"
95 . 1 73 ALA N 1 73 ALA CA 1 73 ALA C 1 74 ALA N -59.50 -19.50 -45.59 -56.89 -35.14 . . 0 "[ . 1 . 2]"
96 . 1 73 ALA C 1 74 ALA N 1 74 ALA CA 1 74 ALA C -83.30 -43.30 -61.30 -53.93 -59.91 . . 0 "[ . 1 . 2]"
97 . 1 74 ALA N 1 74 ALA CA 1 74 ALA C 1 75 ALA N -59.90 -19.90 -44.96 -47.69 -49.85 . . 0 "[ . 1 . 2]"
98 . 1 74 ALA C 1 75 ALA N 1 75 ALA CA 1 75 ALA C -82.80 -42.80 -65.18 -72.59 -57.41 . . 0 "[ . 1 . 2]"
99 . 1 75 ALA N 1 75 ALA CA 1 75 ALA C 1 76 ILE N -60.50 -20.50 -25.89 -23.43 -24.22 0.67 20 0 "[ . 1 . 2]"
100 . 1 75 ALA C 1 76 ILE N 1 76 ILE CA 1 76 ILE C -84.50 -44.50 -80.64 -81.07 -81.33 0.01 16 0 "[ . 1 . 2]"
101 . 1 76 ILE N 1 76 ILE CA 1 76 ILE C 1 77 PHE N -61.80 -21.80 -51.41 -54.00 -55.84 . . 0 "[ . 1 . 2]"
102 . 1 76 ILE C 1 77 PHE N 1 77 PHE CA 1 77 PHE C -83.50 -43.50 -63.23 -68.78 -57.51 . . 0 "[ . 1 . 2]"
103 . 1 77 PHE N 1 77 PHE CA 1 77 PHE C 1 78 THR N -59.50 -19.50 -35.63 -36.58 -38.69 . . 0 "[ . 1 . 2]"
104 . 1 77 PHE C 1 78 THR N 1 78 THR CA 1 78 THR C -86.40 -46.40 -74.96 -81.35 -67.15 . . 0 "[ . 1 . 2]"
105 . 1 78 THR N 1 78 THR CA 1 78 THR C 1 79 VAL N -60.70 -20.70 -44.24 -50.59 -36.55 . . 0 "[ . 1 . 2]"
106 . 1 78 THR C 1 79 VAL N 1 79 VAL CA 1 79 VAL C -81.60 -41.60 -67.86 -76.09 -61.27 . . 0 "[ . 1 . 2]"
107 . 1 79 VAL N 1 79 VAL CA 1 79 VAL C 1 80 GLN N -64.90 -24.90 -49.84 -54.99 -55.34 0.21 7 0 "[ . 1 . 2]"
108 . 1 79 VAL C 1 80 GLN N 1 80 GLN CA 1 80 GLN C -86.30 -43.70 -62.42 -71.56 -43.36 0.34 7 0 "[ . 1 . 2]"
109 . 1 80 GLN N 1 80 GLN CA 1 80 GLN C 1 81 LEU N -59.20 -19.20 -58.52 -59.62 -59.70 0.65 15 0 "[ . 1 . 2]"
110 . 1 80 GLN C 1 81 LEU N 1 81 LEU CA 1 81 LEU C -81.30 -41.30 -54.20 -62.33 -50.24 . . 0 "[ . 1 . 2]"
111 . 1 81 LEU N 1 81 LEU CA 1 81 LEU C 1 82 ASP N -61.30 -21.30 -47.06 -51.89 -37.05 . . 0 "[ . 1 . 2]"
112 . 1 81 LEU C 1 82 ASP N 1 82 ASP CA 1 82 ASP C -79.90 -39.90 -46.65 -52.01 -43.76 . . 0 "[ . 1 . 2]"
113 . 1 82 ASP N 1 82 ASP CA 1 82 ASP C 1 83 ASP N -61.50 -18.30 -47.34 -48.69 -49.10 . . 0 "[ . 1 . 2]"
114 . 1 82 ASP C 1 83 ASP N 1 83 ASP CA 1 83 ASP C -92.00 -45.20 -59.94 -59.28 -60.11 . . 0 "[ . 1 . 2]"
115 . 1 83 ASP N 1 83 ASP CA 1 83 ASP C 1 84 TYR N -54.60 -14.60 -30.97 -36.77 -24.44 . . 0 "[ . 1 . 2]"
116 . 1 83 ASP C 1 84 TYR N 1 84 TYR CA 1 84 TYR C -85.10 -45.10 -74.06 -79.24 -65.39 . . 0 "[ . 1 . 2]"
117 . 1 84 TYR N 1 84 TYR CA 1 84 TYR C 1 85 LEU N -63.80 -23.80 -24.01 -22.43 -22.92 1.37 2 0 "[ . 1 . 2]"
118 . 1 84 TYR C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -83.80 -43.80 -81.93 -82.38 -82.89 0.94 7 0 "[ . 1 . 2]"
119 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 ASN N -62.80 -22.80 -54.20 -62.01 -46.04 . . 0 "[ . 1 . 2]"
120 . 1 85 LEU C 1 86 ASN N 1 86 ASN CA 1 86 ASN C -121.00 -55.00 -122.15 -123.04 -121.62 2.04 5 0 "[ . 1 . 2]"
121 . 1 86 ASN N 1 86 ASN CA 1 86 ASN C 1 87 GLY N -42.00 14.00 -39.94 -43.41 13.46 1.41 5 0 "[ . 1 . 2]"
122 . 1 89 ALA C 1 90 VAL N 1 90 VAL CA 1 90 VAL C -152.00 -52.00 -97.47 -99.71 -102.46 . . 0 "[ . 1 . 2]"
123 . 1 90 VAL N 1 90 VAL CA 1 90 VAL C 1 91 GLN N 110.00 150.00 146.92 133.31 150.61 0.61 1 0 "[ . 1 . 2]"
124 . 1 90 VAL C 1 91 GLN N 1 91 GLN CA 1 91 GLN C -153.00 -53.00 -115.11 -110.90 -113.62 . . 0 "[ . 1 . 2]"
125 . 1 91 GLN N 1 91 GLN CA 1 91 GLN C 1 92 HIS N 100.00 -176.00 133.38 110.70 158.01 . . 0 "[ . 1 . 2]"
126 . 1 91 GLN C 1 92 HIS N 1 92 HIS CA 1 92 HIS C -160.20 -60.20 -134.64 -110.23 -120.79 . . 0 "[ . 1 . 2]"
127 . 1 92 HIS N 1 92 HIS CA 1 92 HIS C 1 93 ARG N 109.90 159.70 131.83 111.86 160.24 0.54 8 0 "[ . 1 . 2]"
128 . 1 92 HIS C 1 93 ARG N 1 93 ARG CA 1 93 ARG C -157.00 -57.00 -112.23 -121.75 -103.29 . . 0 "[ . 1 . 2]"
129 . 1 93 ARG N 1 93 ARG CA 1 93 ARG C 1 94 GLU N 110.00 150.00 127.40 124.56 122.17 . . 0 "[ . 1 . 2]"
130 . 1 94 GLU C 1 95 VAL N 1 95 VAL CA 1 95 VAL C -152.00 -52.00 -84.57 -112.55 -68.30 . . 0 "[ . 1 . 2]"
131 . 1 100 SER C 1 101 ALA N 1 101 ALA CA 1 101 ALA C -84.00 -44.00 -67.76 -73.73 -76.19 . . 0 "[ . 1 . 2]"
132 . 1 101 ALA N 1 101 ALA CA 1 101 ALA C 1 102 THR N -61.20 -21.20 -34.58 -37.72 -42.86 0.13 8 0 "[ . 1 . 2]"
133 . 1 101 ALA C 1 102 THR N 1 102 THR CA 1 102 THR C -85.20 -45.20 -62.88 -71.77 -48.91 . . 0 "[ . 1 . 2]"
134 . 1 102 THR N 1 102 THR CA 1 102 THR C 1 103 PHE N -62.80 -22.80 -53.67 -62.93 -37.00 0.13 5 0 "[ . 1 . 2]"
135 . 1 102 THR C 1 103 PHE N 1 103 PHE CA 1 103 PHE C -84.50 -44.50 -59.05 -62.00 -62.88 . . 0 "[ . 1 . 2]"
136 . 1 103 PHE N 1 103 PHE CA 1 103 PHE C 1 104 LEU N -66.10 -26.10 -43.56 -46.61 -48.81 . . 0 "[ . 1 . 2]"
137 . 1 106 TYR N 1 106 TYR CA 1 106 TYR C 1 107 PHE N -66.30 -5.90 -42.45 -59.71 -14.34 . . 0 "[ . 1 . 2]"
138 . 1 107 PHE C 1 108 LYS N 1 108 LYS CA 1 108 LYS C -105.90 -13.70 -88.62 -103.99 -60.48 . . 0 "[ . 1 . 2]"
139 . 1 108 LYS N 1 108 LYS CA 1 108 LYS C 1 109 SER N -63.60 -13.00 -35.70 -40.78 -58.70 0.51 18 0 "[ . 1 . 2]"
140 . 1 108 LYS C 1 109 SER N 1 109 SER CA 1 109 SER C -105.60 -54.00 -86.67 -96.60 -98.82 0.73 18 0 "[ . 1 . 2]"
141 . 1 109 SER N 1 109 SER CA 1 109 SER C 1 110 GLY N -40.40 22.40 0.41 -36.10 11.96 . . 0 "[ . 1 . 2]"
142 . 1 112 LYS C 1 113 TYR N 1 113 TYR CA 1 113 TYR C -154.00 -82.00 -86.45 -111.65 -81.43 0.57 9 0 "[ . 1 . 2]"
143 . 1 113 TYR N 1 113 TYR CA 1 113 TYR C 1 114 LYS N 108.00 164.00 108.06 108.02 107.99 0.35 9 0 "[ . 1 . 2]"
144 . 1 113 TYR C 1 114 LYS N 1 114 LYS CA 1 114 LYS C -166.00 -66.00 -111.22 -119.41 -124.66 . . 0 "[ . 1 . 2]"
145 . 1 114 LYS N 1 114 LYS CA 1 114 LYS C 1 115 LYS N 109.00 169.00 119.92 113.01 109.03 0.46 13 0 "[ . 1 . 2]"
146 . 1 114 LYS C 1 115 LYS N 1 115 LYS CA 1 115 LYS C -154.00 -54.00 -64.15 -83.40 -53.80 0.20 11 0 "[ . 1 . 2]"
147 . 1 115 LYS N 1 115 LYS CA 1 115 LYS C 1 116 GLY N 110.00 170.00 131.56 132.92 130.96 0.01 13 0 "[ . 1 . 2]"
148 . 1 117 GLY C 1 118 VAL N 1 118 VAL CA 1 118 VAL C -124.00 -24.00 -75.40 -64.12 -81.71 0.17 12 0 "[ . 1 . 2]"
149 . 1 118 VAL N 1 118 VAL CA 1 118 VAL C 1 119 ALA N -65.00 23.00 -30.20 -34.57 -53.48 0.20 1 0 "[ . 1 . 2]"
150 . 1 118 VAL C 1 119 ALA N 1 119 ALA CA 1 119 ALA C -86.00 -46.00 -65.80 -68.92 -76.20 . . 0 "[ . 1 . 2]"
151 . 1 119 ALA N 1 119 ALA CA 1 119 ALA C 1 120 SER N -62.00 -22.00 -27.27 -35.10 -21.87 0.13 5 0 "[ . 1 . 2]"
152 . 1 119 ALA C 1 120 SER N 1 120 SER CA 1 120 SER C -111.00 -27.00 -83.09 -84.24 -86.28 0.11 14 0 "[ . 1 . 2]"
153 . 1 120 SER N 1 120 SER CA 1 120 SER C 1 121 GLY N -72.00 4.00 6.14 6.13 6.12 2.33 4 0 "[ . 1 . 2]"
154 . 1 120 SER C 1 121 GLY N 1 121 GLY CA 1 121 GLY C -82.00 -42.00 -68.54 -66.70 -69.84 0.13 7 0 "[ . 1 . 2]"
155 . 1 121 GLY N 1 121 GLY CA 1 121 GLY C 1 122 PHE N -60.00 -20.00 -32.06 -59.52 -19.89 0.11 17 0 "[ . 1 . 2]"
156 . 1 121 GLY C 1 122 PHE N 1 122 PHE CA 1 122 PHE C -86.00 -46.00 -65.83 -69.40 -72.91 . . 0 "[ . 1 . 2]"
157 . 1 122 PHE N 1 122 PHE CA 1 122 PHE C 1 123 LYS N -58.00 -18.00 -26.19 -32.77 -36.05 0.06 19 0 "[ . 1 . 2]"
158 . 1 122 PHE C 1 123 LYS N 1 123 LYS CA 1 123 LYS C -115.00 -25.00 -66.62 -74.09 -76.48 . . 0 "[ . 1 . 2]"
159 . 1 123 LYS N 1 123 LYS CA 1 123 LYS C 1 124 HIS N -68.00 4.00 -23.74 -53.28 4.19 0.19 3 0 "[ . 1 . 2]"
160 . 1 124 HIS C 1 125 VAL N 1 125 VAL CA 1 125 VAL C -146.00 -68.00 -98.82 -106.48 -122.36 0.02 4 0 "[ . 1 . 2]"
161 . 1 125 VAL N 1 125 VAL CA 1 125 VAL C 1 126 VAL N 107.00 147.00 133.85 111.03 147.12 0.12 10 0 "[ . 1 . 2]"
162 . 1 125 VAL C 1 126 VAL N 1 126 VAL CA 1 126 VAL C -157.00 -57.00 -117.51 -100.64 -110.67 0.08 13 0 "[ . 1 . 2]"
163 . 1 126 VAL N 1 126 VAL CA 1 126 VAL C 1 127 PRO N 72.00 168.00 95.22 110.95 98.58 0.14 9 0 "[ . 1 . 2]"
164 . 1 126 VAL C 1 127 PRO N 1 127 PRO CA 1 127 PRO C -79.00 -39.00 -54.03 -46.89 -48.45 0.09 16 0 "[ . 1 . 2]"
165 . 1 127 PRO N 1 127 PRO CA 1 127 PRO C 1 128 ASN N 126.00 166.00 142.47 142.72 135.92 0.22 18 0 "[ . 1 . 2]"
166 . 1 128 ASN C 1 129 GLU N 1 129 GLU CA 1 129 GLU C -88.00 -48.00 -74.69 -88.07 -50.75 0.07 16 0 "[ . 1 . 2]"
167 . 1 129 GLU N 1 129 GLU CA 1 129 GLU C 1 130 VAL N -57.00 -17.00 -21.63 -17.11 -17.20 . . 0 "[ . 1 . 2]"
168 . 1 129 GLU C 1 130 VAL N 1 130 VAL CA 1 130 VAL C -87.00 -47.00 -53.62 -49.13 -50.55 0.13 7 0 "[ . 1 . 2]"
169 . 1 130 VAL N 1 130 VAL CA 1 130 VAL C 1 131 VAL N -61.00 -17.00 -29.91 -17.80 -19.08 0.09 12 0 "[ . 1 . 2]"
170 . 1 130 VAL C 1 131 VAL N 1 131 VAL CA 1 131 VAL C -87.00 -47.00 -60.78 -76.81 -46.95 0.05 16 0 "[ . 1 . 2]"
171 . 1 131 VAL N 1 131 VAL CA 1 131 VAL C 1 132 VAL N -61.00 -17.00 -41.27 -37.88 -39.57 . . 0 "[ . 1 . 2]"
172 . 1 131 VAL C 1 132 VAL N 1 132 VAL CA 1 132 VAL C -87.00 -47.00 -67.57 -74.12 -51.72 . . 0 "[ . 1 . 2]"
173 . 1 132 VAL N 1 132 VAL CA 1 132 VAL C 1 133 GLN N -62.00 -14.00 -28.78 -28.15 -28.47 . . 0 "[ . 1 . 2]"
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