NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
429078 |
2in2   |
5659 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2in2
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 198
_TA_constraint_stats_list.Viol_count 56
_TA_constraint_stats_list.Viol_total 640.22
_TA_constraint_stats_list.Viol_max 3.90
_TA_constraint_stats_list.Viol_rms 0.11
_TA_constraint_stats_list.Viol_average_all_restraints 0.01
_TA_constraint_stats_list.Viol_average_violations_only 0.57
_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 2 PRO C 1 3 ASN N 1 3 ASN CA 1 3 ASN C -120.00 -40.00 -67.07 -65.21 -66.92 . . 0 "[ . 1 . 2]"
2 . 1 3 ASN N 1 3 ASN CA 1 3 ASN C 1 4 THR N -80.00 0.00 -39.46 -38.83 -39.29 . . 0 "[ . 1 . 2]"
3 . 1 3 ASN C 1 4 THR N 1 4 THR CA 1 4 THR C -100.00 -20.00 -65.66 -72.72 -59.25 . . 0 "[ . 1 . 2]"
4 . 1 4 THR N 1 4 THR CA 1 4 THR C 1 5 GLU N -80.00 0.00 -41.77 -41.82 -43.68 . . 0 "[ . 1 . 2]"
5 . 1 6 PHE C 1 7 ALA N 1 7 ALA CA 1 7 ALA C -100.00 -20.00 -60.23 -66.07 -54.33 . . 0 "[ . 1 . 2]"
6 . 1 7 ALA N 1 7 ALA CA 1 7 ALA C 1 8 LEU N -80.00 0.00 -42.43 -50.23 -34.39 . . 0 "[ . 1 . 2]"
7 . 1 7 ALA C 1 8 LEU N 1 8 LEU CA 1 8 LEU C -100.00 -20.00 -64.36 -66.79 -68.50 . . 0 "[ . 1 . 2]"
8 . 1 8 LEU N 1 8 LEU CA 1 8 LEU C 1 9 SER N -80.00 0.00 -40.64 -52.02 -32.76 . . 0 "[ . 1 . 2]"
9 . 1 8 LEU C 1 9 SER N 1 9 SER CA 1 9 SER C -110.00 -30.00 -71.31 -82.84 -62.75 . . 0 "[ . 1 . 2]"
10 . 1 9 SER N 1 9 SER CA 1 9 SER C 1 10 LEU N -80.00 0.00 -39.30 -53.57 -31.03 . . 0 "[ . 1 . 2]"
11 . 1 9 SER C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -100.00 -20.00 -65.91 -61.71 -65.14 . . 0 "[ . 1 . 2]"
12 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 LEU N -80.00 0.00 -42.17 -59.07 -31.14 . . 0 "[ . 1 . 2]"
13 . 1 10 LEU C 1 11 LEU N 1 11 LEU CA 1 11 LEU C -100.00 -20.00 -52.82 -52.68 -53.10 . . 0 "[ . 1 . 2]"
14 . 1 11 LEU N 1 11 LEU CA 1 11 LEU C 1 12 ARG N -80.00 0.00 -53.77 -52.89 -54.17 . . 0 "[ . 1 . 2]"
15 . 1 11 LEU C 1 12 ARG N 1 12 ARG CA 1 12 ARG C -110.00 -30.00 -75.31 -87.73 -56.34 . . 0 "[ . 1 . 2]"
16 . 1 12 ARG N 1 12 ARG CA 1 12 ARG C 1 13 LYS N -65.00 15.00 -1.52 -22.79 15.03 0.03 7 0 "[ . 1 . 2]"
17 . 1 12 ARG C 1 13 LYS N 1 13 LYS CA 1 13 LYS C -137.00 -57.00 -120.84 -137.56 -90.23 0.56 18 0 "[ . 1 . 2]"
18 . 1 13 LYS N 1 13 LYS CA 1 13 LYS C 1 14 ASN N -85.00 -5.00 -52.36 -51.66 -53.57 . . 0 "[ . 1 . 2]"
19 . 1 14 ASN C 1 15 ILE N 1 15 ILE CA 1 15 ILE C -121.00 -41.00 -100.60 -115.89 -87.35 . . 0 "[ . 1 . 2]"
20 . 1 16 MET C 1 17 THR N 1 17 THR CA 1 17 THR C -125.00 -45.00 -84.96 -103.11 -63.60 . . 0 "[ . 1 . 2]"
21 . 1 17 THR C 1 18 ILE N 1 18 ILE CA 1 18 ILE C -140.00 -60.00 -109.21 -111.02 -112.61 . . 0 "[ . 1 . 2]"
22 . 1 19 THR C 1 20 THR N 1 20 THR CA 1 20 THR C -130.00 -50.00 -94.81 -91.99 -93.87 . . 0 "[ . 1 . 2]"
23 . 1 20 THR N 1 20 THR CA 1 20 THR C 1 21 SER N 130.00 -150.00 -164.60 -167.23 -168.68 0.12 7 0 "[ . 1 . 2]"
24 . 1 21 SER C 1 22 LYS N 1 22 LYS CA 1 22 LYS C -140.00 -60.00 -101.28 -129.56 -75.59 . . 0 "[ . 1 . 2]"
25 . 1 22 LYS N 1 22 LYS CA 1 22 LYS C 1 23 GLY N -60.00 20.00 -31.88 -60.66 9.63 0.66 7 0 "[ . 1 . 2]"
26 . 1 29 GLY C 1 30 ILE N 1 30 ILE CA 1 30 ILE C -119.00 -39.00 -90.63 -71.77 -77.46 . . 0 "[ . 1 . 2]"
27 . 1 30 ILE N 1 30 ILE CA 1 30 ILE C 1 31 HIS N -90.00 -10.00 -51.89 -53.03 -53.94 . . 0 "[ . 1 . 2]"
28 . 1 30 ILE C 1 31 HIS N 1 31 HIS CA 1 31 HIS C 145.00 -135.00 -164.57 -179.58 -146.14 . . 0 "[ . 1 . 2]"
29 . 1 31 HIS N 1 31 HIS CA 1 31 HIS C 1 32 ASP N 110.00 -170.00 143.69 110.17 167.94 . . 0 "[ . 1 . 2]"
30 . 1 31 HIS C 1 32 ASP N 1 32 ASP CA 1 32 ASP C 20.00 100.00 56.95 60.32 59.37 . . 0 "[ . 1 . 2]"
31 . 1 32 ASP N 1 32 ASP CA 1 32 ASP C 1 33 ARG N -150.00 -30.00 -92.85 -86.28 -89.24 . . 0 "[ . 1 . 2]"
32 . 1 33 ARG C 1 34 VAL N 1 34 VAL CA 1 34 VAL C -117.00 -37.00 -88.75 -100.97 -77.82 . . 0 "[ . 1 . 2]"
33 . 1 34 VAL N 1 34 VAL CA 1 34 VAL C 1 35 CYS N 80.00 160.00 114.58 106.38 123.43 . . 0 "[ . 1 . 2]"
34 . 1 38 PRO C 1 39 THR N 1 39 THR CA 1 39 THR C -109.00 -29.00 -68.69 -71.16 -74.41 . . 0 "[ . 1 . 2]"
35 . 1 39 THR N 1 39 THR CA 1 39 THR C 1 40 HIS N -75.00 5.00 -37.23 -48.19 -48.51 . . 0 "[ . 1 . 2]"
36 . 1 39 THR C 1 40 HIS N 1 40 HIS CA 1 40 HIS C -100.00 -20.00 -69.63 -66.75 -66.89 . . 0 "[ . 1 . 2]"
37 . 1 40 HIS N 1 40 HIS CA 1 40 HIS C 1 41 ALA N -55.00 25.00 -4.53 -5.08 -7.13 . . 0 "[ . 1 . 2]"
38 . 1 40 HIS C 1 41 ALA N 1 41 ALA CA 1 41 ALA C -116.00 -36.00 -76.92 -90.40 -69.94 . . 0 "[ . 1 . 2]"
39 . 1 41 ALA N 1 41 ALA CA 1 41 ALA C 1 42 GLN N -65.00 15.00 -23.09 -32.70 -13.17 . . 0 "[ . 1 . 2]"
40 . 1 44 GLY C 1 45 ASP N 1 45 ASP CA 1 45 ASP C -114.00 -34.00 -83.68 -96.11 -67.10 . . 0 "[ . 1 . 2]"
41 . 1 45 ASP N 1 45 ASP CA 1 45 ASP C 1 46 ASP N -70.00 10.00 -23.71 -59.77 10.03 0.03 6 0 "[ . 1 . 2]"
42 . 1 46 ASP C 1 47 VAL N 1 47 VAL CA 1 47 VAL C -160.00 -80.00 -129.52 -120.15 -124.65 . . 0 "[ . 1 . 2]"
43 . 1 47 VAL C 1 48 LEU N 1 48 LEU CA 1 48 LEU C -160.00 -80.00 -99.35 -79.93 -84.74 0.07 2 0 "[ . 1 . 2]"
44 . 1 48 LEU C 1 49 VAL N 1 49 VAL CA 1 49 VAL C -140.00 -60.00 -93.47 -94.29 -95.20 . . 0 "[ . 1 . 2]"
45 . 1 49 VAL C 1 50 ASN N 1 50 ASN CA 1 50 ASN C 20.00 100.00 64.00 62.36 61.78 . . 0 "[ . 1 . 2]"
46 . 1 50 ASN N 1 50 ASN CA 1 50 ASN C 1 51 GLY N -10.00 70.00 13.59 -10.42 62.33 0.42 11 0 "[ . 1 . 2]"
47 . 1 51 GLY C 1 52 GLN N 1 52 GLN CA 1 52 GLN C -128.00 -48.00 -80.40 -82.77 -84.63 . . 0 "[ . 1 . 2]"
48 . 1 52 GLN N 1 52 GLN CA 1 52 GLN C 1 53 LYS N 85.00 165.00 120.19 106.73 134.45 . . 0 "[ . 1 . 2]"
49 . 1 52 GLN C 1 53 LYS N 1 53 LYS CA 1 53 LYS C -98.00 -18.00 -76.20 -90.91 -65.31 . . 0 "[ . 1 . 2]"
50 . 1 53 LYS N 1 53 LYS CA 1 53 LYS C 1 54 ILE N 90.00 170.00 120.59 96.60 146.89 . . 0 "[ . 1 . 2]"
51 . 1 53 LYS C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -180.00 -100.00 -125.95 -122.35 -126.05 . . 0 "[ . 1 . 2]"
52 . 1 56 VAL C 1 57 LYS N 1 57 LYS CA 1 57 LYS C -136.00 -56.00 -79.95 -79.31 -79.68 . . 0 "[ . 1 . 2]"
53 . 1 57 LYS N 1 57 LYS CA 1 57 LYS C 1 58 ASP N -80.00 0.00 -61.04 -48.86 -52.25 . . 0 "[ . 1 . 2]"
54 . 1 59 LYS C 1 60 TYR N 1 60 TYR CA 1 60 TYR C -125.00 -45.00 -98.94 -97.08 -106.58 0.37 18 0 "[ . 1 . 2]"
55 . 1 60 TYR N 1 60 TYR CA 1 60 TYR C 1 61 LYS N 90.00 170.00 112.30 123.18 117.63 . . 0 "[ . 1 . 2]"
56 . 1 60 TYR C 1 61 LYS N 1 61 LYS CA 1 61 LYS C -118.00 -38.00 -79.89 -97.87 -70.70 . . 0 "[ . 1 . 2]"
57 . 1 61 LYS N 1 61 LYS CA 1 61 LYS C 1 62 LEU N 90.00 170.00 113.80 111.19 107.72 . . 0 "[ . 1 . 2]"
58 . 1 63 VAL C 1 64 ASP N 1 64 ASP CA 1 64 ASP C -100.00 -20.00 -73.87 -79.26 -79.87 . . 0 "[ . 1 . 2]"
59 . 1 64 ASP N 1 64 ASP CA 1 64 ASP C 1 65 PRO N 95.00 175.00 141.28 141.26 140.66 . . 0 "[ . 1 . 2]"
60 . 1 65 PRO C 1 66 GLU N 1 66 GLU CA 1 66 GLU C -141.00 -61.00 -86.69 -78.88 -81.63 . . 0 "[ . 1 . 2]"
61 . 1 66 GLU N 1 66 GLU CA 1 66 GLU C 1 67 ASN N -40.00 40.00 9.49 -4.07 22.06 . . 0 "[ . 1 . 2]"
62 . 1 66 GLU C 1 67 ASN N 1 67 ASN CA 1 67 ASN C 20.00 100.00 71.90 77.37 75.87 . . 0 "[ . 1 . 2]"
63 . 1 67 ASN N 1 67 ASN CA 1 67 ASN C 1 68 ILE N -10.00 70.00 32.64 6.45 70.29 0.29 14 0 "[ . 1 . 2]"
64 . 1 68 ILE C 1 69 ASN N 1 69 ASN CA 1 69 ASN C -122.00 -2.00 -78.98 -78.07 -79.99 . . 0 "[ . 1 . 2]"
65 . 1 69 ASN N 1 69 ASN CA 1 69 ASN C 1 70 LEU N 100.00 180.00 143.21 126.92 126.19 . . 0 "[ . 1 . 2]"
66 . 1 69 ASN C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -160.00 -80.00 -109.91 -94.57 -97.25 . . 0 "[ . 1 . 2]"
67 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 GLU N -60.00 20.00 -10.09 -13.22 -15.36 . . 0 "[ . 1 . 2]"
68 . 1 70 LEU C 1 71 GLU N 1 71 GLU CA 1 71 GLU C 20.00 100.00 66.93 65.44 63.72 . . 0 "[ . 1 . 2]"
69 . 1 71 GLU N 1 71 GLU CA 1 71 GLU C 1 72 LEU N -20.00 60.00 11.54 -21.68 31.25 1.68 17 0 "[ . 1 . 2]"
70 . 1 73 THR C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -131.00 -51.00 -93.11 -105.98 -79.52 . . 0 "[ . 1 . 2]"
71 . 1 74 VAL C 1 75 LEU N 1 75 LEU CA 1 75 LEU C -144.00 -64.00 -100.51 -113.53 -139.38 . . 0 "[ . 1 . 2]"
72 . 1 75 LEU C 1 76 THR N 1 76 THR CA 1 76 THR C -134.00 -54.00 -94.12 -87.60 -90.66 . . 0 "[ . 1 . 2]"
73 . 1 76 THR C 1 77 LEU N 1 77 LEU CA 1 77 LEU C -118.00 -38.00 -81.93 -93.82 -70.79 . . 0 "[ . 1 . 2]"
74 . 1 77 LEU C 1 78 ASP N 1 78 ASP CA 1 78 ASP C -107.00 -27.00 -82.03 -77.26 -79.91 . . 0 "[ . 1 . 2]"
75 . 1 78 ASP N 1 78 ASP CA 1 78 ASP C 1 79 ARG N 50.00 130.00 86.55 73.87 130.13 0.13 14 0 "[ . 1 . 2]"
76 . 1 78 ASP C 1 79 ARG N 1 79 ARG CA 1 79 ARG C -180.00 -60.00 -117.64 -106.55 -114.78 0.46 14 0 "[ . 1 . 2]"
77 . 1 79 ARG N 1 79 ARG CA 1 79 ARG C 1 80 ASN N 95.00 175.00 129.98 94.89 175.25 0.25 16 0 "[ . 1 . 2]"
78 . 1 80 ASN C 1 81 GLU N 1 81 GLU CA 1 81 GLU C -106.00 -26.00 -82.74 -100.94 -65.72 . . 0 "[ . 1 . 2]"
79 . 1 81 GLU N 1 81 GLU CA 1 81 GLU C 1 82 LYS N 80.00 160.00 119.15 87.84 160.09 0.09 5 0 "[ . 1 . 2]"
80 . 1 81 GLU C 1 82 LYS N 1 82 LYS CA 1 82 LYS C -120.00 -40.00 -91.10 -79.10 -89.02 . . 0 "[ . 1 . 2]"
81 . 1 82 LYS N 1 82 LYS CA 1 82 LYS C 1 83 PHE N 100.00 180.00 138.29 102.86 173.18 . . 0 "[ . 1 . 2]"
82 . 1 82 LYS C 1 83 PHE N 1 83 PHE CA 1 83 PHE C -121.00 -21.00 -83.05 -62.67 -70.21 0.68 12 0 "[ . 1 . 2]"
83 . 1 83 PHE N 1 83 PHE CA 1 83 PHE C 1 84 ARG N 100.00 180.00 156.03 138.68 179.64 . . 0 "[ . 1 . 2]"
84 . 1 83 PHE C 1 84 ARG N 1 84 ARG CA 1 84 ARG C -100.00 -20.00 -67.23 -85.92 -49.70 . . 0 "[ . 1 . 2]"
85 . 1 84 ARG N 1 84 ARG CA 1 84 ARG C 1 85 ASP N 100.00 180.00 134.72 137.57 134.54 . . 0 "[ . 1 . 2]"
86 . 1 84 ARG C 1 85 ASP N 1 85 ASP CA 1 85 ASP C -100.00 -20.00 -73.36 -84.62 -61.47 . . 0 "[ . 1 . 2]"
87 . 1 85 ASP C 1 86 ILE N 1 86 ILE CA 1 86 ILE C -130.00 -50.00 -93.09 -91.20 -92.44 . . 0 "[ . 1 . 2]"
88 . 1 86 ILE N 1 86 ILE CA 1 86 ILE C 1 87 ARG N -20.00 60.00 19.42 9.37 28.53 . . 0 "[ . 1 . 2]"
89 . 1 86 ILE C 1 87 ARG N 1 87 ARG CA 1 87 ARG C -88.00 -8.00 -66.98 -71.44 -73.20 . . 0 "[ . 1 . 2]"
90 . 1 87 ARG N 1 87 ARG CA 1 87 ARG C 1 88 GLY N -70.00 10.00 -31.57 -32.98 -34.98 . . 0 "[ . 1 . 2]"
91 . 1 88 GLY C 1 89 PHE N 1 89 PHE CA 1 89 PHE C -127.00 -47.00 -96.42 -96.74 -97.76 . . 0 "[ . 1 . 2]"
92 . 1 89 PHE N 1 89 PHE CA 1 89 PHE C 1 90 ILE N -60.00 20.00 -5.86 -14.11 5.74 . . 0 "[ . 1 . 2]"
93 . 1 89 PHE C 1 90 ILE N 1 90 ILE CA 1 90 ILE C -100.00 -20.00 -68.08 -73.22 -74.81 . . 0 "[ . 1 . 2]"
94 . 1 90 ILE N 1 90 ILE CA 1 90 ILE C 1 91 SER N 80.00 160.00 124.57 109.67 135.72 . . 0 "[ . 1 . 2]"
95 . 1 91 SER C 1 92 GLU N 1 92 GLU CA 1 92 GLU C -160.00 -40.00 -82.10 -84.47 -86.84 . . 0 "[ . 1 . 2]"
96 . 1 92 GLU N 1 92 GLU CA 1 92 GLU C 1 93 ASP N -90.00 30.00 -9.05 -29.77 5.46 . . 0 "[ . 1 . 2]"
97 . 1 93 ASP C 1 94 LEU N 1 94 LEU CA 1 94 LEU C -144.00 -24.00 -112.80 -141.50 -99.98 . . 0 "[ . 1 . 2]"
98 . 1 94 LEU N 1 94 LEU CA 1 94 LEU C 1 95 GLU N -100.00 -20.00 -55.95 -57.36 -60.56 . . 0 "[ . 1 . 2]"
99 . 1 94 LEU C 1 95 GLU N 1 95 GLU CA 1 95 GLU C -120.00 0.00 -62.13 -74.96 -42.02 . . 0 "[ . 1 . 2]"
100 . 1 95 GLU N 1 95 GLU CA 1 95 GLU C 1 96 GLY N 90.00 170.00 127.93 103.02 152.67 . . 0 "[ . 1 . 2]"
101 . 1 96 GLY C 1 97 VAL N 1 97 VAL CA 1 97 VAL C -137.00 -17.00 -98.81 -94.37 -95.65 0.20 11 0 "[ . 1 . 2]"
102 . 1 97 VAL N 1 97 VAL CA 1 97 VAL C 1 98 ASP N 100.00 180.00 146.73 155.78 150.37 . . 0 "[ . 1 . 2]"
103 . 1 97 VAL C 1 98 ASP N 1 98 ASP CA 1 98 ASP C -110.00 -30.00 -82.53 -75.31 -77.46 . . 0 "[ . 1 . 2]"
104 . 1 98 ASP N 1 98 ASP CA 1 98 ASP C 1 99 ALA N 100.00 180.00 130.57 143.67 129.24 . . 0 "[ . 1 . 2]"
105 . 1 98 ASP C 1 99 ALA N 1 99 ALA CA 1 99 ALA C -160.00 -80.00 -119.25 -159.05 -79.90 0.10 5 0 "[ . 1 . 2]"
106 . 1 99 ALA N 1 99 ALA CA 1 99 ALA C 1 100 THR N 110.00 -170.00 159.86 152.22 151.51 . . 0 "[ . 1 . 2]"
107 . 1 99 ALA C 1 100 THR N 1 100 THR CA 1 100 THR C -160.00 -80.00 -123.96 -143.96 -111.27 . . 0 "[ . 1 . 2]"
108 . 1 100 THR N 1 100 THR CA 1 100 THR C 1 101 LEU N 80.00 160.00 135.61 123.96 148.47 . . 0 "[ . 1 . 2]"
109 . 1 100 THR C 1 101 LEU N 1 101 LEU CA 1 101 LEU C -120.00 -40.00 -101.35 -112.65 -90.91 . . 0 "[ . 1 . 2]"
110 . 1 101 LEU N 1 101 LEU CA 1 101 LEU C 1 102 VAL N 80.00 160.00 119.72 115.83 111.45 . . 0 "[ . 1 . 2]"
111 . 1 101 LEU C 1 102 VAL N 1 102 VAL CA 1 102 VAL C -140.00 -60.00 -108.22 -100.96 -103.93 . . 0 "[ . 1 . 2]"
112 . 1 102 VAL N 1 102 VAL CA 1 102 VAL C 1 103 VAL N 80.00 160.00 111.66 111.32 109.24 . . 0 "[ . 1 . 2]"
113 . 1 102 VAL C 1 103 VAL N 1 103 VAL CA 1 103 VAL C -160.00 -80.00 -108.37 -110.05 -111.59 0.16 11 0 "[ . 1 . 2]"
114 . 1 103 VAL N 1 103 VAL CA 1 103 VAL C 1 104 HIS N 95.00 175.00 134.94 108.18 151.91 . . 0 "[ . 1 . 2]"
115 . 1 104 HIS C 1 105 SER N 1 105 SER CA 1 105 SER C -180.00 -60.00 -135.44 -175.49 -93.99 . . 0 "[ . 1 . 2]"
116 . 1 105 SER N 1 105 SER CA 1 105 SER C 1 106 ASN N 110.00 -130.00 -175.39 -165.81 -169.74 3.54 13 0 "[ . 1 . 2]"
117 . 1 105 SER C 1 106 ASN N 1 106 ASN CA 1 106 ASN C -100.00 -20.00 -78.82 -103.90 -56.51 3.90 13 0 "[ . 1 . 2]"
118 . 1 106 ASN N 1 106 ASN CA 1 106 ASN C 1 107 ASN N -80.00 0.00 -38.75 -74.59 -11.34 . . 0 "[ . 1 . 2]"
119 . 1 106 ASN C 1 107 ASN N 1 107 ASN CA 1 107 ASN C -100.00 -20.00 -77.18 -73.68 -77.39 0.11 13 0 "[ . 1 . 2]"
120 . 1 107 ASN N 1 107 ASN CA 1 107 ASN C 1 108 PHE N -100.00 -20.00 -41.92 -51.92 -60.07 . . 0 "[ . 1 . 2]"
121 . 1 108 PHE C 1 109 THR N 1 109 THR CA 1 109 THR C -160.00 -80.00 -94.93 -148.81 -79.96 0.04 3 0 "[ . 1 . 2]"
122 . 1 109 THR N 1 109 THR CA 1 109 THR C 1 110 ASN N 85.00 165.00 117.63 107.83 101.11 . . 0 "[ . 1 . 2]"
123 . 1 110 ASN C 1 111 THR N 1 111 THR CA 1 111 THR C -156.00 -76.00 -98.64 -131.26 -75.93 0.07 14 0 "[ . 1 . 2]"
124 . 1 111 THR N 1 111 THR CA 1 111 THR C 1 112 ILE N 70.00 150.00 103.59 115.88 109.44 . . 0 "[ . 1 . 2]"
125 . 1 111 THR C 1 112 ILE N 1 112 ILE CA 1 112 ILE C -130.00 -50.00 -99.16 -90.09 -95.19 . . 0 "[ . 1 . 2]"
126 . 1 112 ILE N 1 112 ILE CA 1 112 ILE C 1 113 LEU N 70.00 150.00 102.08 108.67 105.93 . . 0 "[ . 1 . 2]"
127 . 1 112 ILE C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -160.00 -80.00 -117.85 -110.34 -112.72 . . 0 "[ . 1 . 2]"
128 . 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 GLU N 80.00 160.00 118.19 103.83 137.17 . . 0 "[ . 1 . 2]"
129 . 1 113 LEU C 1 114 GLU N 1 114 GLU CA 1 114 GLU C -131.00 -51.00 -74.02 -71.38 -73.52 . . 0 "[ . 1 . 2]"
130 . 1 114 GLU N 1 114 GLU CA 1 114 GLU C 1 115 VAL N 90.00 170.00 128.41 130.03 124.90 . . 0 "[ . 1 . 2]"
131 . 1 118 VAL C 1 119 THR N 1 119 THR CA 1 119 THR C 142.00 -98.00 -132.81 -147.99 -110.16 . . 0 "[ . 1 . 2]"
132 . 1 119 THR N 1 119 THR CA 1 119 THR C 1 120 MET N 105.00 -175.00 163.13 169.61 167.03 . . 0 "[ . 1 . 2]"
133 . 1 122 GLY C 1 123 LEU N 1 123 LEU CA 1 123 LEU C -160.00 -80.00 -122.11 -96.14 -105.74 . . 0 "[ . 1 . 2]"
134 . 1 123 LEU N 1 123 LEU CA 1 123 LEU C 1 124 ILE N 95.00 175.00 128.21 114.78 112.19 . . 0 "[ . 1 . 2]"
135 . 1 123 LEU C 1 124 ILE N 1 124 ILE CA 1 124 ILE C 144.00 -96.00 -135.29 176.00 -104.67 . . 0 "[ . 1 . 2]"
136 . 1 124 ILE N 1 124 ILE CA 1 124 ILE C 1 125 ASN N 100.00 180.00 146.05 166.58 163.00 . . 0 "[ . 1 . 2]"
137 . 1 125 ASN C 1 126 LEU N 1 126 LEU CA 1 126 LEU C -160.00 -80.00 -113.71 -117.07 -121.06 1.08 5 0 "[ . 1 . 2]"
138 . 1 126 LEU N 1 126 LEU CA 1 126 LEU C 1 127 SER N 80.00 160.00 112.70 105.84 99.86 . . 0 "[ . 1 . 2]"
139 . 1 126 LEU C 1 127 SER N 1 127 SER CA 1 127 SER C 20.00 100.00 56.44 63.43 61.90 . . 0 "[ . 1 . 2]"
140 . 1 127 SER N 1 127 SER CA 1 127 SER C 1 128 SER N 0.00 80.00 51.18 30.61 77.03 . . 0 "[ . 1 . 2]"
141 . 1 127 SER C 1 128 SER N 1 128 SER CA 1 128 SER C 20.00 100.00 65.84 60.53 80.81 . . 0 "[ . 1 . 2]"
142 . 1 128 SER N 1 128 SER CA 1 128 SER C 1 129 THR N -20.00 60.00 11.67 -3.78 -12.69 0.59 5 0 "[ . 1 . 2]"
143 . 1 130 PRO C 1 131 THR N 1 131 THR CA 1 131 THR C -157.00 -77.00 -114.30 -131.06 -88.77 . . 0 "[ . 1 . 2]"
144 . 1 131 THR N 1 131 THR CA 1 131 THR C 1 132 ASN N 92.00 172.00 127.76 102.76 143.02 . . 0 "[ . 1 . 2]"
145 . 1 132 ASN C 1 133 ARG N 1 133 ARG CA 1 133 ARG C 20.00 100.00 66.80 55.73 75.98 . . 0 "[ . 1 . 2]"
146 . 1 133 ARG N 1 133 ARG CA 1 133 ARG C 1 134 MET N 0.00 80.00 43.86 23.80 80.35 0.35 5 0 "[ . 1 . 2]"
147 . 1 133 ARG C 1 134 MET N 1 134 MET CA 1 134 MET C -160.00 -80.00 -95.96 -89.14 -94.23 0.63 7 0 "[ . 1 . 2]"
148 . 1 134 MET N 1 134 MET CA 1 134 MET C 1 135 ILE N 110.00 -170.00 144.23 118.42 169.75 . . 0 "[ . 1 . 2]"
149 . 1 134 MET C 1 135 ILE N 1 135 ILE CA 1 135 ILE C -130.00 -50.00 -109.38 -96.88 -98.91 0.11 18 0 "[ . 1 . 2]"
150 . 1 135 ILE N 1 135 ILE CA 1 135 ILE C 1 136 ARG N 100.00 180.00 140.85 134.03 130.07 . . 0 "[ . 1 . 2]"
151 . 1 136 ARG C 1 137 TYR N 1 137 TYR CA 1 137 TYR C 168.00 -112.00 -141.59 -152.95 -120.62 . . 0 "[ . 1 . 2]"
152 . 1 137 TYR N 1 137 TYR CA 1 137 TYR C 1 138 ASP N 95.00 175.00 142.21 135.86 134.62 . . 0 "[ . 1 . 2]"
153 . 1 138 ASP C 1 139 TYR N 1 139 TYR CA 1 139 TYR C 168.00 -112.00 -164.74 -176.09 -144.52 . . 0 "[ . 1 . 2]"
154 . 1 139 TYR N 1 139 TYR CA 1 139 TYR C 1 140 ALA N 90.00 170.00 134.19 132.85 127.74 . . 0 "[ . 1 . 2]"
155 . 1 140 ALA C 1 141 THR N 1 141 THR CA 1 141 THR C -140.00 20.00 -95.59 -81.20 -87.96 0.03 6 0 "[ . 1 . 2]"
156 . 1 141 THR N 1 141 THR CA 1 141 THR C 1 142 LYS N 110.00 -170.00 154.54 128.61 177.61 . . 0 "[ . 1 . 2]"
157 . 1 142 LYS C 1 143 THR N 1 143 THR CA 1 143 THR C -126.00 -46.00 -73.84 -115.13 -45.76 0.24 1 0 "[ . 1 . 2]"
158 . 1 143 THR N 1 143 THR CA 1 143 THR C 1 144 GLY N 115.00 -165.00 139.75 114.90 169.62 0.10 19 0 "[ . 1 . 2]"
159 . 1 144 GLY C 1 145 GLN N 1 145 GLN CA 1 145 GLN C -140.00 -60.00 -92.82 -75.37 -82.94 . . 0 "[ . 1 . 2]"
160 . 1 145 GLN N 1 145 GLN CA 1 145 GLN C 1 146 CYS N -30.00 50.00 23.93 50.70 42.86 2.03 2 0 "[ . 1 . 2]"
161 . 1 145 GLN C 1 146 CYS N 1 146 CYS CA 1 146 CYS C -114.00 -34.00 -68.39 -89.51 -58.11 . . 0 "[ . 1 . 2]"
162 . 1 146 CYS N 1 146 CYS CA 1 146 CYS C 1 147 GLY N 95.00 175.00 131.80 146.67 141.64 . . 0 "[ . 1 . 2]"
163 . 1 148 GLY C 1 149 VAL N 1 149 VAL CA 1 149 VAL C -129.00 -49.00 -79.36 -93.59 -70.21 . . 0 "[ . 1 . 2]"
164 . 1 149 VAL N 1 149 VAL CA 1 149 VAL C 1 150 LEU N 80.00 160.00 117.08 109.20 108.17 . . 0 "[ . 1 . 2]"
165 . 1 149 VAL C 1 150 LEU N 1 150 LEU CA 1 150 LEU C -114.00 -34.00 -90.73 -96.96 -84.53 . . 0 "[ . 1 . 2]"
166 . 1 150 LEU N 1 150 LEU CA 1 150 LEU C 1 151 CYS N 70.00 150.00 104.82 98.71 108.87 . . 0 "[ . 1 . 2]"
167 . 1 152 ALA C 1 153 THR N 1 153 THR CA 1 153 THR C -100.00 -20.00 -62.41 -71.75 -54.71 . . 0 "[ . 1 . 2]"
168 . 1 153 THR N 1 153 THR CA 1 153 THR C 1 154 GLY N 70.00 150.00 100.66 79.51 108.46 . . 0 "[ . 1 . 2]"
169 . 1 154 GLY C 1 155 LYS N 1 155 LYS CA 1 155 LYS C -160.00 -80.00 -138.39 -145.27 -128.91 . . 0 "[ . 1 . 2]"
170 . 1 156 ILE C 1 157 PHE N 1 157 PHE CA 1 157 PHE C -141.00 -61.00 -98.21 -105.23 -90.53 . . 0 "[ . 1 . 2]"
171 . 1 157 PHE N 1 157 PHE CA 1 157 PHE C 1 158 GLY N -80.00 0.00 -37.84 -49.98 -22.17 . . 0 "[ . 1 . 2]"
172 . 1 163 GLY C 1 164 ASN N 1 164 ASN CA 1 164 ASN C -160.00 -80.00 -125.59 -134.23 -142.58 . . 0 "[ . 1 . 2]"
173 . 1 164 ASN N 1 164 ASN CA 1 164 ASN C 1 165 GLY N 80.00 160.00 109.11 81.75 145.83 . . 0 "[ . 1 . 2]"
174 . 1 165 GLY C 1 166 ARG N 1 166 ARG CA 1 166 ARG C -126.00 -46.00 -101.76 -120.27 -84.79 . . 0 "[ . 1 . 2]"
175 . 1 166 ARG N 1 166 ARG CA 1 166 ARG C 1 167 GLN N -50.00 30.00 2.50 -13.94 21.50 . . 0 "[ . 1 . 2]"
176 . 1 166 ARG C 1 167 GLN N 1 167 GLN CA 1 167 GLN C 160.00 -40.00 -110.19 -124.52 -85.07 . . 0 "[ . 1 . 2]"
177 . 1 167 GLN N 1 167 GLN CA 1 167 GLN C 1 168 GLY N 60.00 180.00 116.01 110.12 106.24 . . 0 "[ . 1 . 2]"
178 . 1 169 PHE C 1 170 SER N 1 170 SER CA 1 170 SER C -160.00 -80.00 -125.63 -115.83 -117.60 . . 0 "[ . 1 . 2]"
179 . 1 170 SER N 1 170 SER CA 1 170 SER C 1 171 ALA N 105.00 -175.00 157.06 153.31 151.09 . . 0 "[ . 1 . 2]"
180 . 1 173 LEU C 1 174 LYS N 1 174 LYS CA 1 174 LYS C -162.00 -42.00 -73.06 -67.69 -72.34 1.51 13 0 "[ . 1 . 2]"
181 . 1 174 LYS C 1 175 LYS N 1 175 LYS CA 1 175 LYS C -100.00 -20.00 -64.02 -57.36 -59.70 . . 0 "[ . 1 . 2]"
182 . 1 175 LYS N 1 175 LYS CA 1 175 LYS C 1 176 GLN N -70.00 10.00 -21.48 -25.71 -26.61 . . 0 "[ . 1 . 2]"
183 . 1 175 LYS C 1 176 GLN N 1 176 GLN CA 1 176 GLN C -100.00 -20.00 -61.35 -75.16 -48.18 . . 0 "[ . 1 . 2]"
184 . 1 176 GLN N 1 176 GLN CA 1 176 GLN C 1 177 TYR N -70.00 10.00 -22.84 -33.42 -37.11 . . 0 "[ . 1 . 2]"
185 . 1 176 GLN C 1 177 TYR N 1 177 TYR CA 1 177 TYR C -108.00 -28.00 -83.28 -75.33 -75.86 . . 0 "[ . 1 . 2]"
186 . 1 177 TYR N 1 177 TYR CA 1 177 TYR C 1 178 PHE N -70.00 10.00 -19.25 -33.62 -8.04 . . 0 "[ . 1 . 2]"
187 . 1 177 TYR C 1 178 PHE N 1 178 PHE CA 1 178 PHE C -138.00 -58.00 -106.86 -102.17 -104.06 . . 0 "[ . 1 . 2]"
188 . 1 178 PHE N 1 178 PHE CA 1 178 PHE C 1 179 VAL N -30.00 50.00 10.83 10.93 8.79 0.37 6 0 "[ . 1 . 2]"
189 . 1 178 PHE C 1 179 VAL N 1 179 VAL CA 1 179 VAL C -119.00 -39.00 -91.60 -119.90 -57.10 0.90 10 0 "[ . 1 . 2]"
190 . 1 179 VAL N 1 179 VAL CA 1 179 VAL C 1 180 GLU N 100.00 180.00 138.51 126.59 117.94 0.19 3 0 "[ . 1 . 2]"
191 . 1 179 VAL C 1 180 GLU N 1 180 GLU CA 1 180 GLU C -111.00 -31.00 -75.93 -93.86 -56.75 . . 0 "[ . 1 . 2]"
192 . 1 180 GLU N 1 180 GLU CA 1 180 GLU C 1 181 LYS N -80.00 0.00 -37.56 -48.13 -54.54 . . 0 "[ . 1 . 2]"
193 . 1 180 GLU C 1 181 LYS N 1 181 LYS CA 1 181 LYS C -120.00 -40.00 -101.41 -110.79 -117.79 1.67 1 0 "[ . 1 . 2]"
194 . 1 181 LYS N 1 181 LYS CA 1 181 LYS C 1 182 GLN N 80.00 160.00 116.46 79.88 146.56 0.12 8 0 "[ . 1 . 2]"
195 . 1 181 LYS C 1 182 GLN N 1 182 GLN CA 1 182 GLN C -180.00 -60.00 -111.42 -90.21 -92.34 . . 0 "[ . 1 . 2]"
196 . 1 40 HIS N 1 40 HIS CA 1 40 HIS CB 1 40 HIS CG 20.00 100.00 64.67 55.49 73.99 . . 0 "[ . 1 . 2]"
197 . 1 71 GLU N 1 71 GLU CA 1 71 GLU CB 1 71 GLU CG 140.00 -140.00 -171.15 -171.72 -172.61 . . 0 "[ . 1 . 2]"
198 . 1 71 GLU CA 1 71 GLU CB 1 71 GLU CG 1 71 GLU CD 20.00 100.00 58.63 55.30 53.89 . . 0 "[ . 1 . 2]"
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