NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
571543 |
2miu   |
19694 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2miu
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 190
_TA_constraint_stats_list.Viol_count 944
_TA_constraint_stats_list.Viol_total 40008.93
_TA_constraint_stats_list.Viol_max 15.57
_TA_constraint_stats_list.Viol_rms 1.69
_TA_constraint_stats_list.Viol_average_all_restraints 0.53
_TA_constraint_stats_list.Viol_average_violations_only 2.12
_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 THR N 1 2 THR CA 1 2 THR C -140.00 -40.00 -75.81 -99.58 -54.94 . . 0 "[ . 1 . 2]"
2 . 1 2 THR N 1 2 THR CA 1 2 THR C 1 3 GLU N -54.00 46.00 -44.38 -44.07 -48.78 0.31 11 0 "[ . 1 . 2]"
3 . 1 2 THR C 1 3 GLU N 1 3 GLU CA 1 3 GLU C -173.00 47.00 -67.24 -74.87 -81.50 . . 0 "[ . 1 . 2]"
4 . 1 3 GLU N 1 3 GLU CA 1 3 GLU C 1 4 ARG N 85.00 -175.00 177.12 -175.17 -179.36 0.30 2 0 "[ . 1 . 2]"
5 . 1 3 GLU C 1 4 ARG N 1 4 ARG CA 1 4 ARG C -149.00 -49.00 -97.04 -97.03 -97.79 . . 0 "[ . 1 . 2]"
6 . 1 4 ARG N 1 4 ARG CA 1 4 ARG C 1 5 PHE N 116.00 156.00 142.28 139.96 139.92 . . 0 "[ . 1 . 2]"
7 . 1 4 ARG C 1 5 PHE N 1 5 PHE CA 1 5 PHE C -127.00 -87.00 -117.33 -124.28 -109.41 . . 0 "[ . 1 . 2]"
8 . 1 5 PHE N 1 5 PHE CA 1 5 PHE C 1 6 ASP N 67.00 167.00 65.69 65.58 65.52 1.79 7 0 "[ . 1 . 2]"
9 . 1 5 PHE C 1 6 ASP N 1 6 ASP CA 1 6 ASP C -144.00 -104.00 -135.55 -137.84 -134.21 . . 0 "[ . 1 . 2]"
10 . 1 6 ASP N 1 6 ASP CA 1 6 ASP C 1 7 CYS N 115.00 175.00 149.86 151.31 151.05 . . 0 "[ . 1 . 2]"
11 . 1 6 ASP C 1 7 CYS N 1 7 CYS CA 1 7 CYS C -100.00 -60.00 -60.22 -62.71 -59.19 0.81 6 0 "[ . 1 . 2]"
12 . 1 7 CYS N 1 7 CYS CA 1 7 CYS C 1 8 HIS N 103.00 143.00 103.18 103.12 102.99 0.47 17 0 "[ . 1 . 2]"
13 . 1 7 CYS C 1 8 HIS N 1 8 HIS CA 1 8 HIS C -78.00 -38.00 -46.60 -46.32 -46.60 . . 0 "[ . 1 . 2]"
14 . 1 8 HIS N 1 8 HIS CA 1 8 HIS C 1 9 HIS N -53.00 -13.00 -20.84 -22.30 -18.65 . . 0 "[ . 1 . 2]"
15 . 1 8 HIS C 1 9 HIS N 1 9 HIS CA 1 9 HIS C -104.00 -44.00 -89.76 -92.70 -86.43 . . 0 "[ . 1 . 2]"
16 . 1 9 HIS N 1 9 HIS CA 1 9 HIS C 1 10 CYS N -66.00 -6.00 -64.53 -66.19 -62.85 0.19 17 0 "[ . 1 . 2]"
17 . 1 9 HIS C 1 10 CYS N 1 10 CYS CA 1 10 CYS C -103.00 -63.00 -81.52 -81.12 -82.39 . . 0 "[ . 1 . 2]"
18 . 1 10 CYS N 1 10 CYS CA 1 10 CYS C 1 11 ASN N -47.00 -7.00 -9.64 -6.46 -6.53 0.65 7 0 "[ . 1 . 2]"
19 . 1 10 CYS C 1 11 ASN N 1 11 ASN CA 1 11 ASN C 37.00 77.00 58.33 53.75 78.39 1.39 15 0 "[ . 1 . 2]"
20 . 1 11 ASN N 1 11 ASN CA 1 11 ASN C 1 12 GLU N 15.00 75.00 20.54 21.85 20.60 . . 0 "[ . 1 . 2]"
21 . 1 11 ASN C 1 12 GLU N 1 12 GLU CA 1 12 GLU C -145.00 -45.00 -95.65 -102.70 -91.88 . . 0 "[ . 1 . 2]"
22 . 1 12 GLU N 1 12 GLU CA 1 12 GLU C 1 13 SER N 40.00 140.00 134.92 134.15 133.75 . . 0 "[ . 1 . 2]"
23 . 1 12 GLU C 1 13 SER N 1 13 SER CA 1 13 SER C -145.00 -45.00 -47.66 -49.24 -46.16 . . 0 "[ . 1 . 2]"
24 . 1 13 SER N 1 13 SER CA 1 13 SER C 1 14 LEU N 86.00 -174.00 134.63 133.85 135.39 . . 0 "[ . 1 . 2]"
25 . 1 13 SER C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -119.00 -59.00 -56.51 -56.52 -56.62 2.92 19 0 "[ . 1 . 2]"
26 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 PHE N 110.00 170.00 132.61 132.14 131.58 . . 0 "[ . 1 . 2]"
27 . 1 14 LEU C 1 15 PHE N 1 15 PHE CA 1 15 PHE C -77.00 -37.00 -82.21 -82.21 -82.30 5.72 6 18 "[*****+***** *-*****2]"
28 . 1 15 PHE N 1 15 PHE CA 1 15 PHE C 1 16 GLY N 112.00 152.00 98.69 98.56 99.09 13.44 2 20 [*+***-**************]
29 . 1 15 PHE C 1 16 GLY N 1 16 GLY CA 1 16 GLY C 61.00 101.00 45.80 45.73 45.69 15.57 13 20 [****-*******+*******]
30 . 1 16 GLY N 1 16 GLY CA 1 16 GLY C 1 17 LYS N -32.00 28.00 9.37 6.50 11.60 . . 0 "[ . 1 . 2]"
31 . 1 16 GLY C 1 17 LYS N 1 17 LYS CA 1 17 LYS C -134.00 -74.00 -134.30 -134.78 -133.95 0.78 6 0 "[ . 1 . 2]"
32 . 1 17 LYS N 1 17 LYS CA 1 17 LYS C 1 18 LYS N 118.00 158.00 159.23 159.16 159.05 2.78 5 0 "[ . 1 . 2]"
33 . 1 17 LYS C 1 18 LYS N 1 18 LYS CA 1 18 LYS C -112.00 -52.00 -51.98 -57.54 -50.40 1.60 5 0 "[ . 1 . 2]"
34 . 1 18 LYS N 1 18 LYS CA 1 18 LYS C 1 19 TYR N 108.00 168.00 170.85 170.71 170.55 4.47 3 0 "[ . 1 . 2]"
35 . 1 18 LYS C 1 19 TYR N 1 19 TYR CA 1 19 TYR C -179.00 -119.00 -144.33 -144.83 -144.96 . . 0 "[ . 1 . 2]"
36 . 1 19 TYR N 1 19 TYR CA 1 19 TYR C 1 20 ILE N 127.00 -173.00 160.45 161.26 160.85 . . 0 "[ . 1 . 2]"
37 . 1 19 TYR C 1 20 ILE N 1 20 ILE CA 1 20 ILE C -157.00 -97.00 -110.16 -111.90 -108.60 . . 0 "[ . 1 . 2]"
38 . 1 20 ILE N 1 20 ILE CA 1 20 ILE C 1 21 LEU N 103.00 163.00 139.29 135.85 141.46 . . 0 "[ . 1 . 2]"
39 . 1 20 ILE C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -142.00 -82.00 -90.98 -85.74 -86.85 . . 0 "[ . 1 . 2]"
40 . 1 21 LEU N 1 21 LEU CA 1 21 LEU C 1 22 ARG N 100.00 160.00 111.63 108.95 106.81 . . 0 "[ . 1 . 2]"
41 . 1 21 LEU C 1 22 ARG N 1 22 ARG CA 1 22 ARG C -170.00 -110.00 -110.29 -106.85 -108.11 3.70 4 0 "[ . 1 . 2]"
42 . 1 22 ARG N 1 22 ARG CA 1 22 ARG C 1 23 GLU N 108.00 148.00 138.92 136.77 141.24 . . 0 "[ . 1 . 2]"
43 . 1 22 ARG C 1 23 GLU N 1 23 GLU CA 1 23 GLU C 33.00 73.00 51.07 50.38 53.28 . . 0 "[ . 1 . 2]"
44 . 1 23 GLU N 1 23 GLU CA 1 23 GLU C 1 24 GLU N 25.00 65.00 35.48 31.81 45.29 . . 0 "[ . 1 . 2]"
45 . 1 23 GLU C 1 24 GLU N 1 24 GLU CA 1 24 GLU C 36.00 76.00 60.27 57.83 46.00 . . 0 "[ . 1 . 2]"
46 . 1 24 GLU N 1 24 GLU CA 1 24 GLU C 1 25 SER N 15.00 55.00 37.27 32.75 41.77 . . 0 "[ . 1 . 2]"
47 . 1 24 GLU C 1 25 SER N 1 25 SER CA 1 25 SER C -148.00 -48.00 -148.75 -149.03 -148.22 1.03 16 0 "[ . 1 . 2]"
48 . 1 25 SER N 1 25 SER CA 1 25 SER C 1 26 PRO N 103.00 163.00 139.44 137.33 141.61 . . 0 "[ . 1 . 2]"
49 . 1 25 SER C 1 26 PRO N 1 26 PRO CA 1 26 PRO C -102.00 -42.00 -63.04 -61.69 -62.03 . . 0 "[ . 1 . 2]"
50 . 1 26 PRO N 1 26 PRO CA 1 26 PRO C 1 27 TYR N 123.00 -177.00 126.33 125.20 127.87 . . 0 "[ . 1 . 2]"
51 . 1 26 PRO C 1 27 TYR N 1 27 TYR CA 1 27 TYR C -166.00 -66.00 -121.03 -122.32 -119.41 . . 0 "[ . 1 . 2]"
52 . 1 27 TYR N 1 27 TYR CA 1 27 TYR C 1 28 CYS N 128.00 168.00 142.72 141.14 145.95 . . 0 "[ . 1 . 2]"
53 . 1 27 TYR C 1 28 CYS N 1 28 CYS CA 1 28 CYS C -142.00 -42.00 -66.02 -67.08 -67.70 . . 0 "[ . 1 . 2]"
54 . 1 28 CYS N 1 28 CYS CA 1 28 CYS C 1 29 VAL N 149.00 -171.00 149.05 148.49 149.85 0.51 5 0 "[ . 1 . 2]"
55 . 1 28 CYS C 1 29 VAL N 1 29 VAL CA 1 29 VAL C -79.00 -39.00 -43.23 -43.33 -43.64 . . 0 "[ . 1 . 2]"
56 . 1 29 VAL N 1 29 VAL CA 1 29 VAL C 1 30 VAL N -62.00 -22.00 -53.52 -54.42 -54.57 . . 0 "[ . 1 . 2]"
57 . 1 29 VAL C 1 30 VAL N 1 30 VAL CA 1 30 VAL C -87.00 -47.00 -46.71 -47.73 -45.31 1.69 3 0 "[ . 1 . 2]"
58 . 1 30 VAL N 1 30 VAL CA 1 30 VAL C 1 31 CYS N -65.00 -5.00 -53.36 -54.51 -51.72 . . 0 "[ . 1 . 2]"
59 . 1 30 VAL C 1 31 CYS N 1 31 CYS CA 1 31 CYS C -84.00 -44.00 -46.56 -47.84 -45.25 . . 0 "[ . 1 . 2]"
60 . 1 31 CYS N 1 31 CYS CA 1 31 CYS C 1 32 PHE N -63.00 -23.00 -64.96 -65.91 -64.35 2.91 2 0 "[ . 1 . 2]"
61 . 1 31 CYS C 1 32 PHE N 1 32 PHE CA 1 32 PHE C -79.00 -39.00 -45.23 -47.08 -43.58 . . 0 "[ . 1 . 2]"
62 . 1 32 PHE N 1 32 PHE CA 1 32 PHE C 1 33 GLU N -65.00 -25.00 -46.11 -45.57 -46.00 . . 0 "[ . 1 . 2]"
63 . 1 32 PHE C 1 33 GLU N 1 33 GLU CA 1 33 GLU C -84.00 -44.00 -71.08 -72.67 -69.06 . . 0 "[ . 1 . 2]"
64 . 1 33 GLU N 1 33 GLU CA 1 33 GLU C 1 34 THR N -63.00 -23.00 -63.96 -64.25 -64.32 1.67 8 0 "[ . 1 . 2]"
65 . 1 33 GLU C 1 34 THR N 1 34 THR CA 1 34 THR C -86.00 -46.00 -50.34 -52.00 -48.29 . . 0 "[ . 1 . 2]"
66 . 1 34 THR N 1 34 THR CA 1 34 THR C 1 35 LEU N -60.00 -20.00 -44.28 -44.95 -43.54 . . 0 "[ . 1 . 2]"
67 . 1 34 THR C 1 35 LEU N 1 35 LEU CA 1 35 LEU C -100.00 -40.00 -56.61 -57.29 -57.66 . . 0 "[ . 1 . 2]"
68 . 1 35 LEU N 1 35 LEU CA 1 35 LEU C 1 36 PHE N -56.00 -16.00 -57.48 -57.52 -57.58 1.85 19 0 "[ . 1 . 2]"
69 . 1 35 LEU C 1 36 PHE N 1 36 PHE CA 1 36 PHE C -119.00 -79.00 -97.78 -98.50 -98.85 . . 0 "[ . 1 . 2]"
70 . 1 36 PHE N 1 36 PHE CA 1 36 PHE C 1 37 ALA N -39.00 21.00 -1.69 -3.09 0.68 . . 0 "[ . 1 . 2]"
71 . 1 36 PHE C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -102.00 -42.00 -60.25 -59.92 -60.41 . . 0 "[ . 1 . 2]"
72 . 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 ASN N 115.00 175.00 157.75 157.99 157.09 . . 0 "[ . 1 . 2]"
73 . 1 37 ALA C 1 38 ASN N 1 38 ASN CA 1 38 ASN C -110.00 -50.00 -88.17 -89.87 -91.87 . . 0 "[ . 1 . 2]"
74 . 1 38 ASN N 1 38 ASN CA 1 38 ASN C 1 39 THR N 113.00 153.00 154.40 153.60 154.95 1.95 20 0 "[ . 1 . 2]"
75 . 1 38 ASN C 1 39 THR N 1 39 THR CA 1 39 THR C -153.00 -53.00 -92.45 -95.58 -90.77 . . 0 "[ . 1 . 2]"
76 . 1 39 THR N 1 39 THR CA 1 39 THR C 1 40 CYS N 92.00 152.00 136.22 133.29 139.08 . . 0 "[ . 1 . 2]"
77 . 1 39 THR C 1 40 CYS N 1 40 CYS CA 1 40 CYS C -158.00 -18.00 -88.36 -89.84 -90.62 . . 0 "[ . 1 . 2]"
78 . 1 40 CYS N 1 40 CYS CA 1 40 CYS C 1 41 GLU N 94.00 154.00 103.26 101.56 106.75 . . 0 "[ . 1 . 2]"
79 . 1 40 CYS C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -77.00 -37.00 -44.98 -49.53 -43.35 . . 0 "[ . 1 . 2]"
80 . 1 41 GLU N 1 41 GLU CA 1 41 GLU C 1 42 GLU N -57.00 3.00 -18.68 -19.59 -17.61 . . 0 "[ . 1 . 2]"
81 . 1 41 GLU C 1 42 GLU N 1 42 GLU CA 1 42 GLU C -102.00 -42.00 -88.66 -87.21 -87.80 . . 0 "[ . 1 . 2]"
82 . 1 42 GLU N 1 42 GLU CA 1 42 GLU C 1 43 CYS N -62.00 -2.00 -58.18 -62.04 -50.81 0.04 18 0 "[ . 1 . 2]"
83 . 1 42 GLU C 1 43 CYS N 1 43 CYS CA 1 43 CYS C -135.00 -75.00 -78.49 -77.69 -79.87 0.18 5 0 "[ . 1 . 2]"
84 . 1 43 CYS N 1 43 CYS CA 1 43 CYS C 1 44 GLY N -42.00 18.00 -42.35 -42.28 -42.38 1.03 19 0 "[ . 1 . 2]"
85 . 1 43 CYS C 1 44 GLY N 1 44 GLY CA 1 44 GLY C 59.00 119.00 93.93 88.58 95.87 . . 0 "[ . 1 . 2]"
86 . 1 44 GLY N 1 44 GLY CA 1 44 GLY C 1 45 LYS N -20.00 40.00 -8.21 -10.16 -6.43 . . 0 "[ . 1 . 2]"
87 . 1 44 GLY C 1 45 LYS N 1 45 LYS CA 1 45 LYS C -152.00 -52.00 -92.40 -94.98 -87.52 . . 0 "[ . 1 . 2]"
88 . 1 45 LYS N 1 45 LYS CA 1 45 LYS C 1 46 PRO N 100.00 160.00 150.51 152.62 152.09 . . 0 "[ . 1 . 2]"
89 . 1 45 LYS C 1 46 PRO N 1 46 PRO CA 1 46 PRO C -92.00 -52.00 -56.84 -60.75 -52.60 . . 0 "[ . 1 . 2]"
90 . 1 46 PRO N 1 46 PRO CA 1 46 PRO C 1 47 ILE N 120.00 180.00 142.98 147.15 144.29 . . 0 "[ . 1 . 2]"
91 . 1 46 PRO C 1 47 ILE N 1 47 ILE CA 1 47 ILE C -132.00 -72.00 -97.46 -103.47 -94.11 . . 0 "[ . 1 . 2]"
92 . 1 47 ILE N 1 47 ILE CA 1 47 ILE C 1 48 GLY N 85.00 145.00 104.88 102.32 108.01 . . 0 "[ . 1 . 2]"
93 . 1 47 ILE C 1 48 GLY N 1 48 GLY CA 1 48 GLY C 166.00 -14.00 -68.66 -67.73 -69.59 . . 0 "[ . 1 . 2]"
94 . 1 48 GLY N 1 48 GLY CA 1 48 GLY C 1 49 CYS N 117.00 -143.00 155.23 131.80 175.00 . . 0 "[ . 1 . 2]"
95 . 1 48 GLY C 1 49 CYS N 1 49 CYS CA 1 49 CYS C -89.00 -29.00 -69.76 -60.74 -62.91 . . 0 "[ . 1 . 2]"
96 . 1 49 CYS N 1 49 CYS CA 1 49 CYS C 1 50 ASP N -64.00 -4.00 -16.78 -29.85 -6.51 . . 0 "[ . 1 . 2]"
97 . 1 49 CYS C 1 50 ASP N 1 50 ASP CA 1 50 ASP C -129.00 -69.00 -73.63 -69.26 -71.81 0.17 15 0 "[ . 1 . 2]"
98 . 1 50 ASP N 1 50 ASP CA 1 50 ASP C 1 51 CYS N -28.00 32.00 16.99 -16.95 31.21 . . 0 "[ . 1 . 2]"
99 . 1 50 ASP C 1 51 CYS N 1 51 CYS CA 1 51 CYS C -163.00 -103.00 -142.73 -104.80 -142.03 0.19 2 0 "[ . 1 . 2]"
100 . 1 51 CYS N 1 51 CYS CA 1 51 CYS C 1 52 LYS N 122.00 -178.00 171.88 147.45 -177.71 0.29 11 0 "[ . 1 . 2]"
101 . 1 51 CYS C 1 52 LYS N 1 52 LYS CA 1 52 LYS C -124.00 -64.00 -76.21 -66.93 -71.04 . . 0 "[ . 1 . 2]"
102 . 1 52 LYS N 1 52 LYS CA 1 52 LYS C 1 53 ASP N 97.00 157.00 100.82 99.04 96.81 0.93 19 0 "[ . 1 . 2]"
103 . 1 52 LYS C 1 53 ASP N 1 53 ASP CA 1 53 ASP C -157.00 -57.00 -90.83 -107.84 -69.58 . . 0 "[ . 1 . 2]"
104 . 1 53 ASP N 1 53 ASP CA 1 53 ASP C 1 54 LEU N 91.00 151.00 103.06 90.67 122.05 0.33 17 0 "[ . 1 . 2]"
105 . 1 53 ASP C 1 54 LEU N 1 54 LEU CA 1 54 LEU C -116.00 -56.00 -77.07 -96.99 -64.11 . . 0 "[ . 1 . 2]"
106 . 1 54 LEU N 1 54 LEU CA 1 54 LEU C 1 55 SER N 111.00 171.00 124.79 121.31 127.31 . . 0 "[ . 1 . 2]"
107 . 1 54 LEU C 1 55 SER N 1 55 SER CA 1 55 SER C -162.00 -102.00 -113.12 -107.77 -111.10 . . 0 "[ . 1 . 2]"
108 . 1 55 SER N 1 55 SER CA 1 55 SER C 1 56 TYR N 124.00 -176.00 125.72 124.81 123.84 0.60 16 0 "[ . 1 . 2]"
109 . 1 55 SER C 1 56 TYR N 1 56 TYR CA 1 56 TYR C -163.00 -23.00 -148.92 -146.44 -146.76 . . 0 "[ . 1 . 2]"
110 . 1 56 TYR N 1 56 TYR CA 1 56 TYR C 1 57 LYS N 107.00 167.00 130.90 118.94 142.71 . . 0 "[ . 1 . 2]"
111 . 1 56 TYR C 1 57 LYS N 1 57 LYS CA 1 57 LYS C 31.00 71.00 51.05 44.39 57.79 . . 0 "[ . 1 . 2]"
112 . 1 57 LYS N 1 57 LYS CA 1 57 LYS C 1 58 ASP N 26.00 66.00 57.05 46.88 65.91 . . 0 "[ . 1 . 2]"
113 . 1 57 LYS C 1 58 ASP N 1 58 ASP CA 1 58 ASP C 47.00 87.00 52.33 48.71 46.97 0.03 1 0 "[ . 1 . 2]"
114 . 1 58 ASP N 1 58 ASP CA 1 58 ASP C 1 59 ARG N 15.00 75.00 12.66 12.01 11.93 3.33 20 0 "[ . 1 . 2]"
115 . 1 58 ASP C 1 59 ARG N 1 59 ARG CA 1 59 ARG C -171.00 -71.00 -111.00 -111.32 -111.49 . . 0 "[ . 1 . 2]"
116 . 1 59 ARG N 1 59 ARG CA 1 59 ARG C 1 60 HIS N 126.00 166.00 166.88 167.10 167.03 1.14 19 0 "[ . 1 . 2]"
117 . 1 59 ARG C 1 60 HIS N 1 60 HIS CA 1 60 HIS C -180.00 -80.00 -124.08 -126.27 -126.57 . . 0 "[ . 1 . 2]"
118 . 1 60 HIS N 1 60 HIS CA 1 60 HIS C 1 61 TRP N 125.00 -175.00 150.68 148.01 152.39 . . 0 "[ . 1 . 2]"
119 . 1 60 HIS C 1 61 TRP N 1 61 TRP CA 1 61 TRP C -159.00 -99.00 -159.34 -159.31 -159.38 0.77 6 0 "[ . 1 . 2]"
120 . 1 61 TRP N 1 61 TRP CA 1 61 TRP C 1 62 HIS N 128.00 -172.00 148.24 147.82 147.55 . . 0 "[ . 1 . 2]"
121 . 1 61 TRP C 1 62 HIS N 1 62 HIS CA 1 62 HIS C -104.00 -44.00 -73.11 -76.99 -71.39 . . 0 "[ . 1 . 2]"
122 . 1 62 HIS N 1 62 HIS CA 1 62 HIS C 1 63 GLU N 114.00 174.00 128.59 127.04 126.12 . . 0 "[ . 1 . 2]"
123 . 1 62 HIS C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -79.00 -39.00 -42.42 -42.00 -42.49 . . 0 "[ . 1 . 2]"
124 . 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 ALA N -69.00 -9.00 -24.91 -27.76 -20.77 . . 0 "[ . 1 . 2]"
125 . 1 63 GLU C 1 64 ALA N 1 64 ALA CA 1 64 ALA C -89.00 -49.00 -91.11 -90.96 -91.24 2.88 19 0 "[ . 1 . 2]"
126 . 1 64 ALA N 1 64 ALA CA 1 64 ALA C 1 65 CYS N -50.00 10.00 -21.49 -21.96 -22.45 . . 0 "[ . 1 . 2]"
127 . 1 64 ALA C 1 65 CYS N 1 65 CYS CA 1 65 CYS C -120.00 -80.00 -80.15 -81.41 -79.64 0.36 7 0 "[ . 1 . 2]"
128 . 1 65 CYS N 1 65 CYS CA 1 65 CYS C 1 66 PHE N -37.00 23.00 -30.30 -31.96 -28.68 . . 0 "[ . 1 . 2]"
129 . 1 65 CYS C 1 66 PHE N 1 66 PHE CA 1 66 PHE C -134.00 -74.00 -72.51 -72.70 -72.83 2.30 8 0 "[ . 1 . 2]"
130 . 1 66 PHE N 1 66 PHE CA 1 66 PHE C 1 67 HIS N 91.00 151.00 102.69 100.04 104.20 . . 0 "[ . 1 . 2]"
131 . 1 66 PHE C 1 67 HIS N 1 67 HIS CA 1 67 HIS C -152.00 -92.00 -152.90 -152.96 -153.03 1.27 4 0 "[ . 1 . 2]"
132 . 1 67 HIS N 1 67 HIS CA 1 67 HIS C 1 68 CYS N 114.00 174.00 174.00 174.28 174.27 0.68 18 0 "[ . 1 . 2]"
133 . 1 67 HIS C 1 68 CYS N 1 68 CYS CA 1 68 CYS C -102.00 -42.00 -82.58 -83.86 -84.22 . . 0 "[ . 1 . 2]"
134 . 1 68 CYS N 1 68 CYS CA 1 68 CYS C 1 69 SER N 103.00 143.00 144.15 143.74 144.47 1.47 12 0 "[ . 1 . 2]"
135 . 1 68 CYS C 1 69 SER N 1 69 SER CA 1 69 SER C -81.00 -41.00 -71.90 -72.42 -72.65 . . 0 "[ . 1 . 2]"
136 . 1 69 SER N 1 69 SER CA 1 69 SER C 1 70 GLN N -53.00 7.00 -23.39 -22.48 -22.93 . . 0 "[ . 1 . 2]"
137 . 1 69 SER C 1 70 GLN N 1 70 GLN CA 1 70 GLN C -98.00 -38.00 -99.45 -99.73 -99.18 1.73 8 0 "[ . 1 . 2]"
138 . 1 70 GLN N 1 70 GLN CA 1 70 GLN C 1 71 CYS N -47.00 -7.00 -48.72 -48.97 -48.31 1.97 5 0 "[ . 1 . 2]"
139 . 1 70 GLN C 1 71 CYS N 1 71 CYS CA 1 71 CYS C -116.00 -56.00 -91.26 -93.22 -88.38 . . 0 "[ . 1 . 2]"
140 . 1 71 CYS N 1 71 CYS CA 1 71 CYS C 1 72 ARG N -46.00 14.00 -4.70 -5.42 -6.06 . . 0 "[ . 1 . 2]"
141 . 1 71 CYS C 1 72 ARG N 1 72 ARG CA 1 72 ARG C 37.00 77.00 47.69 39.70 57.35 . . 0 "[ . 1 . 2]"
142 . 1 72 ARG N 1 72 ARG CA 1 72 ARG C 1 73 ASN N 18.00 58.00 17.13 16.81 16.79 1.45 4 0 "[ . 1 . 2]"
143 . 1 72 ARG C 1 73 ASN N 1 73 ASN CA 1 73 ASN C -115.00 -55.00 -68.18 -67.12 -67.56 . . 0 "[ . 1 . 2]"
144 . 1 73 ASN N 1 73 ASN CA 1 73 ASN C 1 74 SER N 114.00 174.00 151.72 149.49 153.44 . . 0 "[ . 1 . 2]"
145 . 1 73 ASN C 1 74 SER N 1 74 SER CA 1 74 SER C -109.00 -49.00 -86.29 -86.16 -86.76 . . 0 "[ . 1 . 2]"
146 . 1 74 SER N 1 74 SER CA 1 74 SER C 1 75 LEU N 100.00 -160.00 98.14 97.73 97.59 2.64 8 0 "[ . 1 . 2]"
147 . 1 74 SER C 1 75 LEU N 1 75 LEU CA 1 75 LEU C -124.00 -64.00 -82.37 -84.58 -80.61 . . 0 "[ . 1 . 2]"
148 . 1 75 LEU N 1 75 LEU CA 1 75 LEU C 1 76 VAL N 120.00 180.00 114.90 114.56 115.42 5.44 2 15 "[*+ *** **- ***** **]"
149 . 1 75 LEU C 1 76 VAL N 1 76 VAL CA 1 76 VAL C -136.00 -36.00 -139.99 -140.49 -139.13 4.49 20 0 "[ . 1 . 2]"
150 . 1 76 VAL N 1 76 VAL CA 1 76 VAL C 1 77 ASP N 115.00 155.00 130.32 130.88 130.25 . . 0 "[ . 1 . 2]"
151 . 1 76 VAL C 1 77 ASP N 1 77 ASP CA 1 77 ASP C 41.00 81.00 51.47 48.33 52.62 . . 0 "[ . 1 . 2]"
152 . 1 77 ASP N 1 77 ASP CA 1 77 ASP C 1 78 LYS N 14.00 54.00 13.48 13.74 13.53 0.83 3 0 "[ . 1 . 2]"
153 . 1 77 ASP C 1 78 LYS N 1 78 LYS CA 1 78 LYS C -115.00 -75.00 -111.00 -112.81 -107.12 . . 0 "[ . 1 . 2]"
154 . 1 78 LYS N 1 78 LYS CA 1 78 LYS C 1 79 PRO N 94.00 154.00 155.72 155.77 155.72 2.09 20 0 "[ . 1 . 2]"
155 . 1 78 LYS C 1 79 PRO N 1 79 PRO CA 1 79 PRO C -99.00 -39.00 -62.26 -60.99 -61.18 . . 0 "[ . 1 . 2]"
156 . 1 79 PRO N 1 79 PRO CA 1 79 PRO C 1 80 PHE N 120.00 180.00 136.25 135.16 137.46 . . 0 "[ . 1 . 2]"
157 . 1 79 PRO C 1 80 PHE N 1 80 PHE CA 1 80 PHE C -151.00 -91.00 -151.20 -151.79 -149.43 0.79 2 0 "[ . 1 . 2]"
158 . 1 80 PHE N 1 80 PHE CA 1 80 PHE C 1 81 ALA N 131.00 -169.00 150.97 151.93 151.46 . . 0 "[ . 1 . 2]"
159 . 1 80 PHE C 1 81 ALA N 1 81 ALA CA 1 81 ALA C -155.00 -95.00 -94.54 -95.12 -94.27 0.73 7 0 "[ . 1 . 2]"
160 . 1 81 ALA N 1 81 ALA CA 1 81 ALA C 1 82 ALA N 106.00 166.00 115.32 114.34 116.02 . . 0 "[ . 1 . 2]"
161 . 1 81 ALA C 1 82 ALA N 1 82 ALA CA 1 82 ALA C -143.00 -83.00 -80.17 -80.44 -79.86 3.14 18 0 "[ . 1 . 2]"
162 . 1 82 ALA N 1 82 ALA CA 1 82 ALA C 1 83 LYS N 97.00 157.00 106.16 105.06 107.48 . . 0 "[ . 1 . 2]"
163 . 1 82 ALA C 1 83 LYS N 1 83 LYS CA 1 83 LYS C -153.00 -93.00 -91.47 -91.79 -91.14 1.86 5 0 "[ . 1 . 2]"
164 . 1 83 LYS N 1 83 LYS CA 1 83 LYS C 1 84 GLU N 98.00 158.00 161.63 161.19 162.09 4.09 16 0 "[ . 1 . 2]"
165 . 1 83 LYS C 1 84 GLU N 1 84 GLU CA 1 84 GLU C -81.00 -41.00 -36.92 -37.17 -36.70 4.30 16 0 "[ . 1 . 2]"
166 . 1 84 GLU N 1 84 GLU CA 1 84 GLU C 1 85 ASP N -60.00 0.00 -57.56 -58.94 -56.65 . . 0 "[ . 1 . 2]"
167 . 1 84 GLU C 1 85 ASP N 1 85 ASP CA 1 85 ASP C -123.00 -63.00 -123.97 -123.65 -123.80 1.13 8 0 "[ . 1 . 2]"
168 . 1 85 ASP N 1 85 ASP CA 1 85 ASP C 1 86 GLN N -38.00 22.00 2.74 4.12 3.47 . . 0 "[ . 1 . 2]"
169 . 1 85 ASP C 1 86 GLN N 1 86 GLN CA 1 86 GLN C -127.00 -87.00 -128.35 -128.45 -128.52 1.70 9 0 "[ . 1 . 2]"
170 . 1 86 GLN N 1 86 GLN CA 1 86 GLN C 1 87 LEU N 128.00 168.00 170.64 170.84 170.78 3.09 20 0 "[ . 1 . 2]"
171 . 1 86 GLN C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -155.00 -55.00 -128.85 -130.78 -127.39 . . 0 "[ . 1 . 2]"
172 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 LEU N 106.00 166.00 135.11 133.98 136.24 . . 0 "[ . 1 . 2]"
173 . 1 87 LEU C 1 88 LEU N 1 88 LEU CA 1 88 LEU C -148.00 -88.00 -133.98 -135.10 -132.52 . . 0 "[ . 1 . 2]"
174 . 1 88 LEU N 1 88 LEU CA 1 88 LEU C 1 89 CYS N 113.00 173.00 167.45 167.57 167.45 . . 0 "[ . 1 . 2]"
175 . 1 88 LEU C 1 89 CYS N 1 89 CYS CA 1 89 CYS C -148.00 -88.00 -85.40 -85.30 -85.39 2.95 10 0 "[ . 1 . 2]"
176 . 1 89 CYS N 1 89 CYS CA 1 89 CYS C 1 90 THR N 132.00 -168.00 138.81 137.72 139.80 . . 0 "[ . 1 . 2]"
177 . 1 89 CYS C 1 90 THR N 1 90 THR CA 1 90 THR C -96.00 -36.00 -47.21 -46.91 -47.05 . . 0 "[ . 1 . 2]"
178 . 1 90 THR N 1 90 THR CA 1 90 THR C 1 91 ASP N -64.00 -4.00 -15.64 -16.61 -14.47 . . 0 "[ . 1 . 2]"
179 . 1 90 THR C 1 91 ASP N 1 91 ASP CA 1 91 ASP C -87.00 -47.00 -83.73 -83.79 -83.94 . . 0 "[ . 1 . 2]"
180 . 1 91 ASP N 1 91 ASP CA 1 91 ASP C 1 92 CYS N -58.00 -18.00 -47.07 -46.01 -46.28 . . 0 "[ . 1 . 2]"
181 . 1 91 ASP C 1 92 CYS N 1 92 CYS CA 1 92 CYS C -84.00 -44.00 -74.52 -75.14 -75.16 . . 0 "[ . 1 . 2]"
182 . 1 92 CYS N 1 92 CYS CA 1 92 CYS C 1 93 TYR N -66.00 -26.00 -40.10 -40.45 -41.06 . . 0 "[ . 1 . 2]"
183 . 1 92 CYS C 1 93 TYR N 1 93 TYR CA 1 93 TYR C -91.00 -51.00 -58.57 -57.85 -57.89 . . 0 "[ . 1 . 2]"
184 . 1 93 TYR N 1 93 TYR CA 1 93 TYR C 1 94 SER N -56.00 4.00 -49.41 -49.10 -49.29 . . 0 "[ . 1 . 2]"
185 . 1 93 TYR C 1 94 SER N 1 94 SER CA 1 94 SER C -85.00 -45.00 -62.69 -67.12 -52.03 . . 0 "[ . 1 . 2]"
186 . 1 94 SER N 1 94 SER CA 1 94 SER C 1 95 ASN N -68.00 -8.00 -19.82 -32.31 -16.26 . . 0 "[ . 1 . 2]"
187 . 1 94 SER C 1 95 ASN N 1 95 ASN CA 1 95 ASN C -110.00 -50.00 -74.51 -75.20 -76.12 . . 0 "[ . 1 . 2]"
188 . 1 95 ASN N 1 95 ASN CA 1 95 ASN C 1 96 GLU N -76.00 24.00 -32.26 -37.79 -22.01 . . 0 "[ . 1 . 2]"
189 . 1 95 ASN C 1 96 GLU N 1 96 GLU CA 1 96 GLU C -121.00 -61.00 -102.28 -120.26 -89.34 . . 0 "[ . 1 . 2]"
190 . 1 96 GLU N 1 96 GLU CA 1 96 GLU C 1 97 TYR N -39.00 1.00 -38.15 -39.31 -39.34 1.81 3 0 "[ . 1 . 2]"
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