NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
615161 |
5x5s   |
36061 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_5x5s
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 176
_TA_constraint_stats_list.Viol_count 356
_TA_constraint_stats_list.Viol_total 1647.87
_TA_constraint_stats_list.Viol_max 2.45
_TA_constraint_stats_list.Viol_rms 0.26
_TA_constraint_stats_list.Viol_average_all_restraints 0.09
_TA_constraint_stats_list.Viol_average_violations_only 0.46
_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 8 THR C 1 9 LYS N 1 9 LYS CA 1 9 LYS C -115.64 -51.90 -92.31 -81.64 -85.66 0.14 3 0 "[ . 1]"
2 . 1 9 LYS N 1 9 LYS CA 1 9 LYS C 1 10 VAL N 110.45 140.09 120.82 109.78 137.72 0.67 8 0 "[ . 1]"
3 . 1 10 VAL C 1 11 ALA N 1 11 ALA CA 1 11 ALA C -84.54 -57.31 -73.38 -70.91 -71.36 0.36 3 0 "[ . 1]"
4 . 1 11 ALA N 1 11 ALA CA 1 11 ALA C 1 12 THR N 114.50 145.02 124.96 113.53 143.06 0.97 5 0 "[ . 1]"
5 . 1 11 ALA C 1 12 THR N 1 12 THR CA 1 12 THR C -115.74 -74.46 -95.53 -83.78 -91.76 . . 0 "[ . 1]"
6 . 1 12 THR N 1 12 THR CA 1 12 THR C 1 13 VAL N 118.37 139.98 128.99 137.96 137.11 0.58 5 0 "[ . 1]"
7 . 1 19 LEU C 1 20 ILE N 1 20 ILE CA 1 20 ILE C -140.16 -73.61 -114.73 -104.90 -120.23 0.06 10 0 "[ . 1]"
8 . 1 20 ILE N 1 20 ILE CA 1 20 ILE C 1 21 GLY N 125.46 165.16 139.87 147.29 141.33 . . 0 "[ . 1]"
9 . 1 21 GLY C 1 22 GLU N 1 22 GLU CA 1 22 GLU C -157.51 -100.24 -127.57 -151.76 -100.84 . . 0 "[ . 1]"
10 . 1 22 GLU N 1 22 GLU CA 1 22 GLU C 1 23 GLY N 138.13 160.43 141.18 138.35 148.41 . . 0 "[ . 1]"
11 . 1 23 GLY C 1 24 PHE N 1 24 PHE CA 1 24 PHE C -68.00 -48.45 -62.11 -65.42 -68.07 0.10 1 0 "[ . 1]"
12 . 1 24 PHE N 1 24 PHE CA 1 24 PHE C 1 25 MET N -49.87 -35.04 -37.96 -50.00 -34.21 0.84 3 0 "[ . 1]"
13 . 1 24 PHE C 1 25 MET N 1 25 MET CA 1 25 MET C -84.19 -56.04 -64.42 -82.19 -55.89 0.15 9 0 "[ . 1]"
14 . 1 25 MET N 1 25 MET CA 1 25 MET C 1 26 ALA N -29.80 -3.52 -25.56 -30.48 -13.36 0.68 9 0 "[ . 1]"
15 . 1 25 MET C 1 26 ALA N 1 26 ALA CA 1 26 ALA C -120.81 -67.47 -84.18 -68.75 -70.11 . . 0 "[ . 1]"
16 . 1 26 ALA N 1 26 ALA CA 1 26 ALA C 1 27 GLN N -31.32 11.40 -0.28 -31.27 11.51 0.12 10 0 "[ . 1]"
17 . 1 26 ALA C 1 27 GLN N 1 27 GLN CA 1 27 GLN C -116.78 -80.87 -90.02 -107.04 -80.13 0.74 8 0 "[ . 1]"
18 . 1 27 GLN N 1 27 GLN CA 1 27 GLN C 1 28 CYS N -30.21 17.38 -12.58 -30.67 14.45 0.47 5 0 "[ . 1]"
19 . 1 29 ASP C 1 30 ASN N 1 30 ASN CA 1 30 ASN C -96.85 -36.85 -83.31 -72.29 -75.49 0.61 9 0 "[ . 1]"
20 . 1 30 ASN N 1 30 ASN CA 1 30 ASN C 1 31 PRO N 114.39 174.39 131.24 113.13 154.00 1.26 7 0 "[ . 1]"
21 . 1 31 PRO C 1 32 THR N 1 32 THR CA 1 32 THR C -116.25 -56.25 -109.42 -117.64 -99.19 1.38 7 0 "[ . 1]"
22 . 1 32 THR N 1 32 THR CA 1 32 THR C 1 33 ILE N 97.85 157.85 110.45 117.02 97.83 1.13 7 0 "[ . 1]"
23 . 1 32 THR C 1 33 ILE N 1 33 ILE CA 1 33 ILE C -149.40 -89.40 -122.21 -148.75 -92.83 . . 0 "[ . 1]"
24 . 1 33 ILE N 1 33 ILE CA 1 33 ILE C 1 34 GLU N 104.61 164.61 144.47 102.16 164.65 2.45 6 0 "[ . 1]"
25 . 1 33 ILE C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -144.95 -24.95 -82.83 -56.76 -60.08 2.15 7 0 "[ . 1]"
26 . 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 GLY N 108.62 168.62 107.28 106.42 108.05 2.20 7 0 "[ . 1]"
27 . 1 38 PRO C 1 39 ILE N 1 39 ILE CA 1 39 ILE C -115.72 -69.85 -79.88 -104.97 -69.47 0.38 1 0 "[ . 1]"
28 . 1 39 ILE N 1 39 ILE CA 1 39 ILE C 1 40 GLY N 153.59 167.69 155.61 158.12 154.82 0.47 3 0 "[ . 1]"
29 . 1 39 ILE C 1 40 GLY N 1 40 GLY CA 1 40 GLY C 50.74 77.99 69.33 74.65 62.33 0.55 10 0 "[ . 1]"
30 . 1 40 GLY N 1 40 GLY CA 1 40 GLY C 1 41 LYS N 15.16 50.80 24.82 14.25 51.15 0.91 3 0 "[ . 1]"
31 . 1 40 GLY C 1 41 LYS N 1 41 LYS CA 1 41 LYS C -130.29 -82.82 -118.08 -131.00 -82.83 0.71 9 0 "[ . 1]"
32 . 1 41 LYS N 1 41 LYS CA 1 41 LYS C 1 42 THR N 132.57 162.46 134.52 131.48 157.92 1.08 2 0 "[ . 1]"
33 . 1 41 LYS C 1 42 THR N 1 42 THR CA 1 42 THR C -114.80 -54.79 -110.30 -116.17 -54.47 1.37 2 0 "[ . 1]"
34 . 1 42 THR N 1 42 THR CA 1 42 THR C 1 43 LEU N 102.04 162.04 138.97 120.79 147.92 . . 0 "[ . 1]"
35 . 1 42 THR C 1 43 LEU N 1 43 LEU CA 1 43 LEU C -147.16 -87.16 -109.63 -109.87 -112.24 0.09 9 0 "[ . 1]"
36 . 1 43 LEU N 1 43 LEU CA 1 43 LEU C 1 44 TYR N 122.83 -177.17 139.30 146.39 138.36 0.16 3 0 "[ . 1]"
37 . 1 43 LEU C 1 44 TYR N 1 44 TYR CA 1 44 TYR C 165.29 -75.67 -112.51 -110.51 -125.16 . . 0 "[ . 1]"
38 . 1 44 TYR N 1 44 TYR CA 1 44 TYR C 1 45 VAL N 118.95 178.95 122.00 130.82 121.78 0.59 5 0 "[ . 1]"
39 . 1 44 TYR C 1 45 VAL N 1 45 VAL CA 1 45 VAL C -115.18 -85.18 -109.51 -115.46 -97.14 0.28 9 0 "[ . 1]"
40 . 1 45 VAL N 1 45 VAL CA 1 45 VAL C 1 46 VAL N 106.37 136.37 130.90 115.81 136.46 0.09 1 0 "[ . 1]"
41 . 1 45 VAL C 1 46 VAL N 1 46 VAL CA 1 46 VAL C -152.93 -122.93 -130.86 -122.78 -126.51 0.54 5 0 "[ . 1]"
42 . 1 46 VAL N 1 46 VAL CA 1 46 VAL C 1 47 GLY N 120.73 -179.27 147.59 156.50 128.03 1.07 4 0 "[ . 1]"
43 . 1 53 SER C 1 54 TRP N 1 54 TRP CA 1 54 TRP C 32.31 92.31 58.02 62.10 58.13 . . 0 "[ . 1]"
44 . 1 54 TRP N 1 54 TRP CA 1 54 TRP C 1 55 LYS N 2.10 62.10 54.86 60.87 48.13 0.54 9 0 "[ . 1]"
45 . 1 54 TRP C 1 55 LYS N 1 55 LYS CA 1 55 LYS C -155.41 -95.41 -104.20 -95.62 -97.02 0.72 5 0 "[ . 1]"
46 . 1 55 LYS N 1 55 LYS CA 1 55 LYS C 1 56 GLN N 116.37 176.37 126.34 116.10 139.00 0.27 4 0 "[ . 1]"
47 . 1 56 GLN C 1 57 LYS N 1 57 LYS CA 1 57 LYS C -149.15 -29.15 -78.10 -123.98 -60.80 . . 0 "[ . 1]"
48 . 1 57 LYS N 1 57 LYS CA 1 57 LYS C 1 58 PRO N 111.79 171.79 133.43 116.23 162.30 . . 0 "[ . 1]"
49 . 1 57 LYS C 1 58 PRO N 1 58 PRO CA 1 58 PRO C -67.99 -37.99 -58.47 -55.09 -60.67 . . 0 "[ . 1]"
50 . 1 58 PRO N 1 58 PRO CA 1 58 PRO C 1 59 HIS N -52.02 -22.02 -34.39 -51.69 -26.50 . . 0 "[ . 1]"
51 . 1 58 PRO C 1 59 HIS N 1 59 HIS CA 1 59 HIS C -85.30 -55.30 -64.27 -83.16 -57.04 . . 0 "[ . 1]"
52 . 1 59 HIS N 1 59 HIS CA 1 59 HIS C 1 60 ARG N -27.40 2.60 -18.93 -15.05 -24.29 0.86 4 0 "[ . 1]"
53 . 1 59 HIS C 1 60 ARG N 1 60 ARG CA 1 60 ARG C -130.48 -70.47 -124.09 -122.77 -125.42 0.50 4 0 "[ . 1]"
54 . 1 60 ARG N 1 60 ARG CA 1 60 ARG C 1 61 ALA N -22.93 37.07 15.49 -23.12 22.86 0.19 7 0 "[ . 1]"
55 . 1 62 TYR C 1 63 ARG N 1 63 ARG CA 1 63 ARG C -119.70 -84.27 -109.22 -101.96 -105.55 0.37 5 0 "[ . 1]"
56 . 1 63 ARG N 1 63 ARG CA 1 63 ARG C 1 64 TYR N 114.97 164.70 124.48 140.38 135.41 0.53 7 0 "[ . 1]"
57 . 1 63 ARG C 1 64 TYR N 1 64 TYR CA 1 64 TYR C -101.13 -51.40 -77.46 -86.43 -91.68 0.16 7 0 "[ . 1]"
58 . 1 64 TYR N 1 64 TYR CA 1 64 TYR C 1 65 VAL N 118.83 139.06 118.63 118.13 120.04 0.69 6 0 "[ . 1]"
59 . 1 67 GLU C 1 68 ASN N 1 68 ASN CA 1 68 ASN C 62.77 78.77 62.00 61.41 62.60 1.37 2 0 "[ . 1]"
60 . 1 68 ASN N 1 68 ASN CA 1 68 ASN C 1 69 THR N -2.32 24.64 22.57 24.95 23.21 0.55 2 0 "[ . 1]"
61 . 1 68 ASN C 1 69 THR N 1 69 THR CA 1 69 THR C -120.02 -72.24 -108.47 -111.58 -112.80 . . 0 "[ . 1]"
62 . 1 69 THR N 1 69 THR CA 1 69 THR C 1 70 TYR N 130.07 155.00 154.86 155.82 155.31 1.17 2 0 "[ . 1]"
63 . 1 69 THR C 1 70 TYR N 1 70 TYR CA 1 70 TYR C -132.52 -104.43 -122.04 -118.15 -120.71 . . 0 "[ . 1]"
64 . 1 70 TYR N 1 70 TYR CA 1 70 TYR C 1 71 GLN N 134.17 158.37 138.28 133.56 148.82 0.61 10 0 "[ . 1]"
65 . 1 70 TYR C 1 71 GLN N 1 71 GLN CA 1 71 GLN C -149.32 -119.32 -139.65 -149.63 -126.56 0.30 3 0 "[ . 1]"
66 . 1 71 GLN N 1 71 GLN CA 1 71 GLN C 1 72 ALA N 129.90 159.90 141.82 148.69 140.20 0.40 7 0 "[ . 1]"
67 . 1 71 GLN C 1 72 ALA N 1 72 ALA CA 1 72 ALA C -150.10 -90.10 -150.32 -150.67 -148.70 0.57 4 0 "[ . 1]"
68 . 1 72 ALA N 1 72 ALA CA 1 72 ALA C 1 73 VAL N 101.78 131.78 125.25 120.24 111.78 0.35 8 0 "[ . 1]"
69 . 1 72 ALA C 1 73 VAL N 1 73 VAL CA 1 73 VAL C -112.34 -74.47 -79.37 -89.27 -74.57 . . 0 "[ . 1]"
70 . 1 73 VAL N 1 73 VAL CA 1 73 VAL C 1 74 VAL N 123.11 136.68 130.43 130.43 129.26 . . 0 "[ . 1]"
71 . 1 73 VAL C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -130.62 -109.42 -128.99 -130.52 -130.69 0.16 1 0 "[ . 1]"
72 . 1 74 VAL N 1 74 VAL CA 1 74 VAL C 1 75 ASP N 127.57 148.41 141.33 145.56 143.88 . . 0 "[ . 1]"
73 . 1 74 VAL C 1 75 ASP N 1 75 ASP CA 1 75 ASP C -116.52 -56.52 -105.12 -116.47 -81.53 . . 0 "[ . 1]"
74 . 1 75 ASP N 1 75 ASP CA 1 75 ASP C 1 76 GLU N 97.80 157.80 124.51 122.31 120.37 . . 0 "[ . 1]"
75 . 1 75 ASP C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -138.38 -78.38 -128.90 -132.26 -137.52 0.19 4 0 "[ . 1]"
76 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 LYS N 106.32 166.32 162.89 143.56 166.91 0.59 1 0 "[ . 1]"
77 . 1 80 ALA C 1 81 PHE N 1 81 PHE CA 1 81 PHE C -142.60 -112.21 -139.78 -141.27 -142.03 0.27 9 0 "[ . 1]"
78 . 1 81 PHE N 1 81 PHE CA 1 81 PHE C 1 82 ARG N 135.63 156.95 144.08 146.51 139.04 . . 0 "[ . 1]"
79 . 1 81 PHE C 1 82 ARG N 1 82 ARG CA 1 82 ARG C -158.93 -98.93 -114.36 -159.35 -103.29 0.41 4 0 "[ . 1]"
80 . 1 82 ARG N 1 82 ARG CA 1 82 ARG C 1 83 MET N 121.25 -178.75 143.70 127.64 156.36 . . 0 "[ . 1]"
81 . 1 82 ARG C 1 83 MET N 1 83 MET CA 1 83 MET C -153.04 -84.82 -147.27 -147.99 -149.14 1.54 10 0 "[ . 1]"
82 . 1 83 MET N 1 83 MET CA 1 83 MET C 1 84 GLN N 122.45 -177.55 162.37 174.00 164.96 . . 0 "[ . 1]"
83 . 1 83 MET C 1 84 GLN N 1 84 GLN CA 1 84 GLN C 148.56 -85.02 -147.37 -168.29 -111.97 . . 0 "[ . 1]"
84 . 1 84 GLN N 1 84 GLN CA 1 84 GLN C 1 85 TYR N 130.79 -169.21 146.72 140.70 156.73 . . 0 "[ . 1]"
85 . 1 84 GLN C 1 85 TYR N 1 85 TYR CA 1 85 TYR C -127.34 -97.34 -109.42 -99.09 -113.39 0.88 9 0 "[ . 1]"
86 . 1 85 TYR N 1 85 TYR CA 1 85 TYR C 1 86 ALA N 99.72 159.72 145.32 141.19 132.85 0.37 9 0 "[ . 1]"
87 . 1 85 TYR C 1 86 ALA N 1 86 ALA CA 1 86 ALA C -167.01 -107.01 -153.72 -162.91 -163.76 . . 0 "[ . 1]"
88 . 1 86 ALA N 1 86 ALA CA 1 86 ALA C 1 87 SER N 122.37 -177.63 130.50 122.41 153.62 . . 0 "[ . 1]"
89 . 1 86 ALA C 1 87 SER N 1 87 SER CA 1 87 SER C -108.71 -48.72 -77.31 -74.60 -82.40 . . 0 "[ . 1]"
90 . 1 87 SER N 1 87 SER CA 1 87 SER C 1 88 LYS N 125.33 -174.67 166.49 147.39 -178.03 . . 0 "[ . 1]"
91 . 1 87 SER C 1 88 LYS N 1 88 LYS CA 1 88 LYS C -88.94 -28.94 -74.40 -69.97 -76.92 . . 0 "[ . 1]"
92 . 1 88 LYS N 1 88 LYS CA 1 88 LYS C 1 89 ASP N -59.29 0.71 -32.92 -50.20 -9.58 . . 0 "[ . 1]"
93 . 1 88 LYS C 1 89 ASP N 1 89 ASP CA 1 89 ASP C -127.28 -67.28 -94.13 -96.76 -97.10 . . 0 "[ . 1]"
94 . 1 89 ASP N 1 89 ASP CA 1 89 ASP C 1 90 TRP N -11.98 48.01 35.06 28.26 46.48 . . 0 "[ . 1]"
95 . 1 89 ASP C 1 90 TRP N 1 90 TRP CA 1 90 TRP C 31.78 91.79 52.51 51.47 50.28 . . 0 "[ . 1]"
96 . 1 90 TRP N 1 90 TRP CA 1 90 TRP C 1 91 SER N 3.73 63.73 36.36 40.81 40.60 . . 0 "[ . 1]"
97 . 1 90 TRP C 1 91 SER N 1 91 SER CA 1 91 SER C -145.74 -85.74 -88.88 -85.75 -86.05 0.25 3 0 "[ . 1]"
98 . 1 91 SER N 1 91 SER CA 1 91 SER C 1 92 PRO N 118.42 178.42 164.38 117.56 178.71 0.86 8 0 "[ . 1]"
99 . 1 92 PRO C 1 93 GLN N 1 93 GLN CA 1 93 GLN C -165.11 -105.11 -122.58 -106.74 -111.68 0.34 7 0 "[ . 1]"
100 . 1 93 GLN N 1 93 GLN CA 1 93 GLN C 1 94 PHE N 124.95 -175.05 173.59 -174.76 -175.01 0.51 8 0 "[ . 1]"
101 . 1 93 GLN C 1 94 PHE N 1 94 PHE CA 1 94 PHE C -141.00 -123.61 -128.04 -123.40 -125.63 0.92 9 0 "[ . 1]"
102 . 1 94 PHE N 1 94 PHE CA 1 94 PHE C 1 95 THR N 120.04 135.75 124.85 119.80 133.65 0.24 3 0 "[ . 1]"
103 . 1 94 PHE C 1 95 THR N 1 95 THR CA 1 95 THR C -168.76 -108.76 -147.69 -132.19 -136.38 . . 0 "[ . 1]"
104 . 1 95 THR N 1 95 THR CA 1 95 THR C 1 96 ALA N 111.82 171.82 125.40 122.78 112.81 0.11 5 0 "[ . 1]"
105 . 1 101 LEU C 1 102 THR N 1 102 THR CA 1 102 THR C -135.40 -75.40 -122.77 -124.38 -128.43 0.10 8 0 "[ . 1]"
106 . 1 102 THR N 1 102 THR CA 1 102 THR C 1 103 PRO N 92.53 152.53 147.02 153.23 152.93 0.70 2 0 "[ . 1]"
107 . 1 102 THR C 1 103 PRO N 1 103 PRO CA 1 103 PRO C -88.78 -28.78 -46.93 -44.60 -46.52 . . 0 "[ . 1]"
108 . 1 103 PRO N 1 103 PRO CA 1 103 PRO C 1 104 GLY N 110.87 170.87 117.33 110.92 110.70 0.21 1 0 "[ . 1]"
109 . 1 103 PRO C 1 104 GLY N 1 104 GLY CA 1 104 GLY C 47.67 107.67 78.22 60.17 86.81 . . 0 "[ . 1]"
110 . 1 104 GLY N 1 104 GLY CA 1 104 GLY C 1 105 LYS N -25.61 34.39 33.77 26.20 34.77 0.38 6 0 "[ . 1]"
111 . 1 104 GLY C 1 105 LYS N 1 105 LYS CA 1 105 LYS C -131.87 -71.87 -128.97 -124.89 -126.45 0.19 7 0 "[ . 1]"
112 . 1 105 LYS N 1 105 LYS CA 1 105 LYS C 1 106 THR N 103.29 163.29 149.48 150.73 150.16 . . 0 "[ . 1]"
113 . 1 105 LYS C 1 106 THR N 1 106 THR CA 1 106 THR C -122.76 -62.76 -78.48 -75.11 -77.98 . . 0 "[ . 1]"
114 . 1 106 THR N 1 106 THR CA 1 106 THR C 1 107 ALA N 97.93 157.93 142.91 137.27 145.58 . . 0 "[ . 1]"
115 . 1 106 THR C 1 107 ALA N 1 107 ALA CA 1 107 ALA C -163.88 -103.88 -117.86 -111.47 -119.65 . . 0 "[ . 1]"
116 . 1 107 ALA N 1 107 ALA CA 1 107 ALA C 1 108 SER N 124.24 -175.76 144.43 132.99 150.28 . . 0 "[ . 1]"
117 . 1 107 ALA C 1 108 SER N 1 108 SER CA 1 108 SER C -128.71 -68.71 -80.52 -96.19 -68.86 . . 0 "[ . 1]"
118 . 1 108 SER N 1 108 SER CA 1 108 SER C 1 109 LEU N 90.83 150.83 134.47 138.12 134.25 . . 0 "[ . 1]"
119 . 1 115 GLY C 1 116 GLN N 1 116 GLN CA 1 116 GLN C -110.99 -50.99 -100.17 -111.05 -50.93 0.06 10 0 "[ . 1]"
120 . 1 116 GLN N 1 116 GLN CA 1 116 GLN C 1 117 ASP N 111.78 171.78 129.94 143.77 140.34 0.07 9 0 "[ . 1]"
121 . 1 116 GLN C 1 117 ASP N 1 117 ASP CA 1 117 ASP C -130.92 -64.66 -69.32 -83.45 -64.09 0.57 10 0 "[ . 1]"
122 . 1 117 ASP N 1 117 ASP CA 1 117 ASP C 1 118 THR N 122.85 151.66 137.62 122.44 151.11 0.41 10 0 "[ . 1]"
123 . 1 117 ASP C 1 118 THR N 1 118 THR CA 1 118 THR C -132.32 -65.80 -84.05 -65.67 -76.10 0.13 2 0 "[ . 1]"
124 . 1 118 THR N 1 118 THR CA 1 118 THR C 1 119 ALA N 114.42 141.16 118.87 113.96 141.37 0.46 9 0 "[ . 1]"
125 . 1 118 THR C 1 119 ALA N 1 119 ALA CA 1 119 ALA C -136.78 -88.83 -99.99 -89.35 -94.88 0.27 10 0 "[ . 1]"
126 . 1 119 ALA N 1 119 ALA CA 1 119 ALA C 1 120 VAL N 123.20 147.82 132.74 123.51 144.96 . . 0 "[ . 1]"
127 . 1 119 ALA C 1 120 VAL N 1 120 VAL CA 1 120 VAL C -145.73 -116.95 -119.16 -117.27 -117.55 0.40 8 0 "[ . 1]"
128 . 1 120 VAL N 1 120 VAL CA 1 120 VAL C 1 121 THR N 125.31 149.98 129.15 124.77 138.76 0.54 7 0 "[ . 1]"
129 . 1 120 VAL C 1 121 THR N 1 121 THR CA 1 121 THR C -128.37 -68.37 -89.20 -89.62 -91.66 . . 0 "[ . 1]"
130 . 1 121 THR N 1 121 THR CA 1 121 THR C 1 122 LEU N 93.41 153.41 99.37 112.37 100.72 0.67 9 0 "[ . 1]"
131 . 1 121 THR C 1 122 LEU N 1 122 LEU CA 1 122 LEU C -130.63 -70.63 -127.18 -127.28 -130.80 1.28 3 0 "[ . 1]"
132 . 1 122 LEU N 1 122 LEU CA 1 122 LEU C 1 123 PRO N 101.19 161.20 107.86 107.31 105.62 0.90 3 0 "[ . 1]"
133 . 1 122 LEU C 1 123 PRO N 1 123 PRO CA 1 123 PRO C -99.32 -39.32 -77.99 -85.21 -68.91 . . 0 "[ . 1]"
134 . 1 123 PRO N 1 123 PRO CA 1 123 PRO C 1 124 GLU N -52.26 7.74 7.64 8.90 8.62 1.20 2 0 "[ . 1]"
135 . 1 123 PRO C 1 124 GLU N 1 124 GLU CA 1 124 GLU C -166.18 -106.18 -138.04 -166.99 -110.33 0.81 7 0 "[ . 1]"
136 . 1 124 GLU N 1 124 GLU CA 1 124 GLU C 1 125 ALA N 116.30 176.30 140.54 141.76 133.10 . . 0 "[ . 1]"
137 . 1 124 GLU C 1 125 ALA N 1 125 ALA CA 1 125 ALA C -128.01 -68.01 -82.45 -79.94 -85.07 0.26 2 0 "[ . 1]"
138 . 1 125 ALA N 1 125 ALA CA 1 125 ALA C 1 126 GLY N 110.98 170.98 138.98 120.76 143.38 . . 0 "[ . 1]"
139 . 1 126 GLY C 1 127 GLN N 1 127 GLN CA 1 127 GLN C -112.16 -52.16 -81.89 -85.31 -95.80 . . 0 "[ . 1]"
140 . 1 127 GLN N 1 127 GLN CA 1 127 GLN C 1 128 TYR N 103.68 163.68 133.88 121.61 140.35 . . 0 "[ . 1]"
141 . 1 127 GLN C 1 128 TYR N 1 128 TYR CA 1 128 TYR C -134.64 -100.68 -118.99 -102.63 -105.91 0.11 7 0 "[ . 1]"
142 . 1 128 TYR N 1 128 TYR CA 1 128 TYR C 1 129 VAL N 139.60 163.22 151.78 142.39 163.24 0.02 4 0 "[ . 1]"
143 . 1 128 TYR C 1 129 VAL N 1 129 VAL CA 1 129 VAL C -150.47 -108.50 -116.68 -108.19 -108.30 0.31 2 0 "[ . 1]"
144 . 1 129 VAL N 1 129 VAL CA 1 129 VAL C 1 130 TRP N 120.62 151.50 124.97 120.10 130.92 0.52 3 0 "[ . 1]"
145 . 1 129 VAL C 1 130 TRP N 1 130 TRP CA 1 130 TRP C -116.94 -88.77 -96.58 -90.09 -92.37 0.29 2 0 "[ . 1]"
146 . 1 130 TRP N 1 130 TRP CA 1 130 TRP C 1 131 SER N 112.38 131.74 113.50 112.29 112.16 0.30 1 0 "[ . 1]"
147 . 1 130 TRP C 1 131 SER N 1 131 SER CA 1 131 SER C -138.40 -109.34 -118.34 -134.97 -109.11 0.24 5 0 "[ . 1]"
148 . 1 131 SER N 1 131 SER CA 1 131 SER C 1 132 LEU N 126.45 151.09 132.95 131.39 126.25 1.19 1 0 "[ . 1]"
149 . 1 131 SER C 1 132 LEU N 1 132 LEU CA 1 132 LEU C -148.69 -134.38 -137.65 -140.84 -148.48 1.54 9 0 "[ . 1]"
150 . 1 132 LEU N 1 132 LEU CA 1 132 LEU C 1 133 LYS N 135.82 161.79 138.57 135.10 149.01 0.73 7 0 "[ . 1]"
151 . 1 132 LEU C 1 133 LYS N 1 133 LYS CA 1 133 LYS C -163.81 -103.81 -121.54 -148.80 -106.63 . . 0 "[ . 1]"
152 . 1 133 LYS N 1 133 LYS CA 1 133 LYS C 1 134 PHE N 120.39 150.39 126.51 119.75 134.70 0.64 10 0 "[ . 1]"
153 . 1 133 LYS C 1 134 PHE N 1 134 PHE CA 1 134 PHE C -142.49 -112.49 -130.41 -142.85 -112.15 0.36 10 0 "[ . 1]"
154 . 1 134 PHE N 1 134 PHE CA 1 134 PHE C 1 135 THR N 145.12 175.12 145.84 144.83 152.52 0.29 6 0 "[ . 1]"
155 . 1 134 PHE C 1 135 THR N 1 135 THR CA 1 135 THR C -128.63 -68.63 -87.36 -113.42 -68.84 . . 0 "[ . 1]"
156 . 1 135 THR N 1 135 THR CA 1 135 THR C 1 136 ASP N 153.53 -176.47 171.22 168.84 164.01 . . 0 "[ . 1]"
157 . 1 135 THR C 1 136 ASP N 1 136 ASP CA 1 136 ASP C -93.74 -33.74 -88.77 -82.25 -87.03 0.29 1 0 "[ . 1]"
158 . 1 136 ASP N 1 136 ASP CA 1 136 ASP C 1 137 SER N -50.59 9.41 -21.12 -20.84 -35.21 . . 0 "[ . 1]"
159 . 1 136 ASP C 1 137 SER N 1 137 SER CA 1 137 SER C -124.72 -64.72 -70.87 -69.98 -79.52 . . 0 "[ . 1]"
160 . 1 137 SER N 1 137 SER CA 1 137 SER C 1 138 GLY N -26.36 33.64 -22.58 -26.91 -27.10 0.91 1 0 "[ . 1]"
161 . 1 137 SER C 1 138 GLY N 1 138 GLY CA 1 138 GLY C 57.91 117.91 90.69 80.05 101.31 . . 0 "[ . 1]"
162 . 1 138 GLY N 1 138 GLY CA 1 138 GLY C 1 139 ASP N -17.04 42.96 12.16 -17.47 42.39 0.43 5 0 "[ . 1]"
163 . 1 141 GLU C 1 142 GLN N 1 142 GLN CA 1 142 GLN C -153.24 -123.24 -130.37 -144.18 -122.42 0.82 10 0 "[ . 1]"
164 . 1 142 GLN N 1 142 GLN CA 1 142 GLN C 1 143 ILE N 138.64 168.64 150.38 149.63 147.65 0.25 7 0 "[ . 1]"
165 . 1 142 GLN C 1 143 ILE N 1 143 ILE CA 1 143 ILE C -158.76 -123.69 -128.62 -146.86 -123.36 0.33 1 0 "[ . 1]"
166 . 1 143 ILE N 1 143 ILE CA 1 143 ILE C 1 144 MET N 136.99 162.18 148.88 149.59 147.73 0.35 6 0 "[ . 1]"
167 . 1 143 ILE C 1 144 MET N 1 144 MET CA 1 144 MET C -156.88 -128.63 -141.54 -141.20 -142.58 . . 0 "[ . 1]"
168 . 1 144 MET N 1 144 MET CA 1 144 MET C 1 145 VAL N 117.12 160.79 138.77 116.84 161.23 0.43 9 0 "[ . 1]"
169 . 1 144 MET C 1 145 VAL N 1 145 VAL CA 1 145 VAL C -141.06 -123.01 -129.62 -136.61 -141.13 0.27 4 0 "[ . 1]"
170 . 1 145 VAL N 1 145 VAL CA 1 145 VAL C 1 146 SER N 123.58 148.67 139.70 129.21 148.68 0.00 8 0 "[ . 1]"
171 . 1 145 VAL C 1 146 SER N 1 146 SER CA 1 146 SER C -154.08 -94.08 -140.73 -154.11 -129.03 0.04 8 0 "[ . 1]"
172 . 1 146 SER N 1 146 SER CA 1 146 SER C 1 147 LYS N 100.91 160.91 152.25 135.48 158.77 . . 0 "[ . 1]"
173 . 1 146 SER C 1 147 LYS N 1 147 LYS CA 1 147 LYS C -117.76 -57.76 -112.70 -117.61 -102.45 . . 0 "[ . 1]"
174 . 1 147 LYS N 1 147 LYS CA 1 147 LYS C 1 148 CYS N 95.53 155.53 135.80 104.01 155.76 0.23 5 0 "[ . 1]"
175 . 1 147 LYS C 1 148 CYS N 1 148 CYS CA 1 148 CYS C -124.43 -57.53 -104.13 -108.09 -114.97 . . 0 "[ . 1]"
176 . 1 148 CYS N 1 148 CYS CA 1 148 CYS C 1 149 PRO N 109.00 169.00 128.39 122.39 117.37 . . 0 "[ . 1]"
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