NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
559587 |
4aka   |
17405 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_4aka
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 161
_TA_constraint_stats_list.Viol_count 1135
_TA_constraint_stats_list.Viol_total 25192.36
_TA_constraint_stats_list.Viol_max 6.02
_TA_constraint_stats_list.Viol_rms 0.82
_TA_constraint_stats_list.Viol_average_all_restraints 0.39
_TA_constraint_stats_list.Viol_average_violations_only 1.11
_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 ALA C 1 3 ASP N 1 3 ASP CA 1 3 ASP C -125.83 -77.83 -83.57 -77.38 -77.75 0.92 7 0 "[ . 1 . 2]"
2 . 1 3 ASP N 1 3 ASP CA 1 3 ASP C 1 4 SER N -23.64 8.62 -17.17 -12.74 -16.24 1.75 14 0 "[ . 1 . 2]"
3 . 1 3 ASP C 1 4 SER N 1 4 SER CA 1 4 SER C -118.18 -50.32 -96.78 -118.84 -52.28 0.66 2 0 "[ . 1 . 2]"
4 . 1 4 SER N 1 4 SER CA 1 4 SER C 1 5 CYS N 125.26 146.04 134.87 123.61 147.91 1.87 10 0 "[ . 1 . 2]"
5 . 1 4 SER C 1 5 CYS N 1 5 CYS CA 1 5 CYS C -145.58 -104.00 -116.05 -105.64 -113.80 1.90 19 0 "[ . 1 . 2]"
6 . 1 5 CYS N 1 5 CYS CA 1 5 CYS C 1 6 LYS N 136.28 165.88 148.84 134.09 166.44 2.19 19 0 "[ . 1 . 2]"
7 . 1 7 TYR C 1 8 CYS N 1 8 CYS CA 1 8 CYS C -144.34 -124.56 -127.04 -128.74 -139.05 1.83 15 0 "[ . 1 . 2]"
8 . 1 8 CYS N 1 8 CYS CA 1 8 CYS C 1 9 LEU N 146.03 170.09 150.65 144.65 167.76 1.38 16 0 "[ . 1 . 2]"
9 . 1 8 CYS C 1 9 LEU N 1 9 LEU CA 1 9 LEU C -111.84 -83.94 -102.44 -110.18 -111.58 0.42 18 0 "[ . 1 . 2]"
10 . 1 9 LEU N 1 9 LEU CA 1 9 LEU C 1 10 GLN N 104.96 138.04 121.17 112.76 130.10 . . 0 "[ . 1 . 2]"
11 . 1 9 LEU C 1 10 GLN N 1 10 GLN CA 1 10 GLN C -144.73 -105.99 -112.98 -112.68 -113.68 . . 0 "[ . 1 . 2]"
12 . 1 10 GLN N 1 10 GLN CA 1 10 GLN C 1 11 LEU N 127.19 156.53 124.14 123.17 124.88 4.02 14 0 "[ . 1 . 2]"
13 . 1 10 GLN C 1 11 LEU N 1 11 LEU CA 1 11 LEU C -107.47 -73.13 -110.09 -110.97 -109.41 3.50 14 0 "[ . 1 . 2]"
14 . 1 11 LEU N 1 11 LEU CA 1 11 LEU C 1 12 TYR N 114.57 142.05 124.85 118.91 131.21 . . 0 "[ . 1 . 2]"
15 . 1 11 LEU C 1 12 TYR N 1 12 TYR CA 1 12 TYR C -99.35 -69.47 -92.58 -93.12 -94.06 0.24 1 0 "[ . 1 . 2]"
16 . 1 12 TYR N 1 12 TYR CA 1 12 TYR C 1 13 ASP N 133.97 -179.13 151.77 150.30 149.59 . . 0 "[ . 1 . 2]"
17 . 1 12 TYR C 1 13 ASP N 1 13 ASP CA 1 13 ASP C -83.93 -69.45 -74.32 -81.14 -68.89 0.56 19 0 "[ . 1 . 2]"
18 . 1 13 ASP N 1 13 ASP CA 1 13 ASP C 1 14 GLU N -50.13 -22.29 -39.55 -37.90 -38.10 . . 0 "[ . 1 . 2]"
19 . 1 13 ASP C 1 14 GLU N 1 14 GLU CA 1 14 GLU C -146.33 -108.63 -108.87 -114.08 -107.44 1.19 8 0 "[ . 1 . 2]"
20 . 1 14 GLU N 1 14 GLU CA 1 14 GLU C 1 15 THR N 133.28 177.28 178.02 177.95 177.66 1.73 14 0 "[ . 1 . 2]"
21 . 1 15 THR C 1 16 TYR N 1 16 TYR CA 1 16 TYR C 47.97 65.37 47.17 46.46 48.47 1.51 7 0 "[ . 1 . 2]"
22 . 1 16 TYR N 1 16 TYR CA 1 16 TYR C 1 17 GLU N 25.03 47.67 41.06 42.51 42.30 . . 0 "[ . 1 . 2]"
23 . 1 16 TYR C 1 17 GLU N 1 17 GLU CA 1 17 GLU C 53.26 67.66 64.99 67.43 66.82 0.39 7 0 "[ . 1 . 2]"
24 . 1 17 GLU N 1 17 GLU CA 1 17 GLU C 1 18 ARG N 23.42 46.10 26.38 23.46 23.34 1.45 5 0 "[ . 1 . 2]"
25 . 1 18 ARG C 1 19 GLY N 1 19 GLY CA 1 19 GLY C 61.75 90.95 84.67 78.70 91.40 0.45 14 0 "[ . 1 . 2]"
26 . 1 20 SER C 1 21 TYR N 1 21 TYR CA 1 21 TYR C -150.07 -116.57 -138.40 -149.42 -116.13 0.44 3 0 "[ . 1 . 2]"
27 . 1 21 TYR N 1 21 TYR CA 1 21 TYR C 1 22 ILE N 151.11 165.31 165.18 164.95 164.08 1.52 15 0 "[ . 1 . 2]"
28 . 1 21 TYR C 1 22 ILE N 1 22 ILE CA 1 22 ILE C -137.21 -115.19 -115.23 -123.03 -113.42 1.77 15 0 "[ . 1 . 2]"
29 . 1 22 ILE N 1 22 ILE CA 1 22 ILE C 1 23 GLU N 127.30 152.42 152.15 149.53 153.48 1.06 6 0 "[ . 1 . 2]"
30 . 1 22 ILE C 1 23 GLU N 1 23 GLU CA 1 23 GLU C -141.73 -107.69 -106.85 -107.05 -107.21 1.73 11 0 "[ . 1 . 2]"
31 . 1 23 GLU N 1 23 GLU CA 1 23 GLU C 1 24 VAL N 127.57 159.09 125.49 124.87 126.11 2.70 15 0 "[ . 1 . 2]"
32 . 1 23 GLU C 1 24 VAL N 1 24 VAL CA 1 24 VAL C -135.39 -98.79 -120.55 -127.18 -114.03 . . 0 "[ . 1 . 2]"
33 . 1 24 VAL N 1 24 VAL CA 1 24 VAL C 1 25 TYR N 134.24 166.98 133.74 133.64 133.55 1.40 5 0 "[ . 1 . 2]"
34 . 1 24 VAL C 1 25 TYR N 1 25 TYR CA 1 25 TYR C -126.75 -76.85 -118.17 -126.09 -114.43 . . 0 "[ . 1 . 2]"
35 . 1 25 TYR C 1 26 LYS N 1 26 LYS CA 1 26 LYS C -146.39 -100.83 -123.01 -123.92 -129.23 . . 0 "[ . 1 . 2]"
36 . 1 26 LYS N 1 26 LYS CA 1 26 LYS C 1 27 SER N 145.74 161.76 161.95 161.85 161.44 1.82 8 0 "[ . 1 . 2]"
37 . 1 26 LYS C 1 27 SER N 1 27 SER CA 1 27 SER C -120.84 -53.36 -77.89 -97.98 -60.31 . . 0 "[ . 1 . 2]"
38 . 1 27 SER N 1 27 SER CA 1 27 SER C 1 28 VAL N 133.35 160.01 144.15 141.69 140.20 0.16 3 0 "[ . 1 . 2]"
39 . 1 27 SER C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -120.61 -63.89 -120.55 -122.81 -113.71 2.20 5 0 "[ . 1 . 2]"
40 . 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 GLY N 118.95 154.97 133.89 132.14 131.19 . . 0 "[ . 1 . 2]"
41 . 1 30 SER C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -129.38 -82.88 -118.09 -117.82 -118.50 . . 0 "[ . 1 . 2]"
42 . 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 SER N 120.00 148.52 118.25 118.36 118.05 3.09 19 0 "[ . 1 . 2]"
43 . 1 31 LEU C 1 32 SER N 1 32 SER CA 1 32 SER C -130.27 -84.33 -132.73 -133.60 -131.28 3.33 18 0 "[ . 1 . 2]"
44 . 1 32 SER N 1 32 SER CA 1 32 SER C 1 33 PRO N 92.89 161.23 112.12 116.85 115.41 . . 0 "[ . 1 . 2]"
45 . 1 33 PRO N 1 33 PRO CA 1 33 PRO C 1 34 PRO N 138.76 161.68 161.62 159.41 162.68 1.00 6 0 "[ . 1 . 2]"
46 . 1 34 PRO N 1 34 PRO CA 1 34 PRO C 1 35 TRP N 139.33 158.03 157.29 154.58 159.29 1.26 9 0 "[ . 1 . 2]"
47 . 1 34 PRO C 1 35 TRP N 1 35 TRP CA 1 35 TRP C -146.95 -90.91 -89.56 -90.26 -88.56 2.35 18 0 "[ . 1 . 2]"
48 . 1 35 TRP N 1 35 TRP CA 1 35 TRP C 1 36 THR N 125.86 173.46 136.50 129.62 143.81 . . 0 "[ . 1 . 2]"
49 . 1 37 PRO N 1 37 PRO CA 1 37 PRO C 1 38 GLY N 131.91 157.47 157.44 153.17 158.62 1.15 6 0 "[ . 1 . 2]"
50 . 1 39 SER C 1 40 VAL N 1 40 VAL CA 1 40 VAL C -148.93 -107.93 -130.68 -134.01 -134.77 . . 0 "[ . 1 . 2]"
51 . 1 40 VAL N 1 40 VAL CA 1 40 VAL C 1 41 CYS N 143.34 161.64 142.81 141.84 145.42 1.50 8 0 "[ . 1 . 2]"
52 . 1 40 VAL C 1 41 CYS N 1 41 CYS CA 1 41 CYS C -145.22 -118.66 -145.58 -146.14 -142.98 0.92 8 0 "[ . 1 . 2]"
53 . 1 41 CYS N 1 41 CYS CA 1 41 CYS C 1 42 VAL N 138.28 161.92 147.97 149.47 149.10 0.57 17 0 "[ . 1 . 2]"
54 . 1 41 CYS C 1 42 VAL N 1 42 VAL CA 1 42 VAL C -147.27 -105.85 -116.23 -121.43 -111.35 . . 0 "[ . 1 . 2]"
55 . 1 42 VAL N 1 42 VAL CA 1 42 VAL C 1 43 PRO N 104.61 159.93 123.49 123.81 123.28 . . 0 "[ . 1 . 2]"
56 . 1 43 PRO N 1 43 PRO CA 1 43 PRO C 1 44 PHE N 137.38 159.96 144.90 140.60 138.40 0.59 8 0 "[ . 1 . 2]"
57 . 1 43 PRO C 1 44 PHE N 1 44 PHE CA 1 44 PHE C -114.37 -66.03 -72.67 -66.89 -67.67 . . 0 "[ . 1 . 2]"
58 . 1 44 PHE N 1 44 PHE CA 1 44 PHE C 1 45 VAL N 107.40 136.18 122.87 109.54 136.64 0.46 1 0 "[ . 1 . 2]"
59 . 1 44 PHE C 1 45 VAL N 1 45 VAL CA 1 45 VAL C -136.28 -94.66 -104.65 -123.22 -131.61 0.82 8 0 "[ . 1 . 2]"
60 . 1 45 VAL N 1 45 VAL CA 1 45 VAL C 1 46 ASN N 115.98 140.30 117.91 123.35 117.78 1.92 12 0 "[ . 1 . 2]"
61 . 1 46 ASN C 1 47 ASP N 1 47 ASP CA 1 47 ASP C -125.88 -58.40 -75.14 -128.27 -57.19 2.39 12 0 "[ . 1 . 2]"
62 . 1 47 ASP N 1 47 ASP CA 1 47 ASP C 1 48 THR N 109.78 142.82 145.77 144.61 147.54 4.72 16 0 "[ . 1 . 2]"
63 . 1 47 ASP C 1 48 THR N 1 48 THR CA 1 48 THR C -78.68 -54.40 -57.74 -67.85 -52.33 2.07 8 0 "[ . 1 . 2]"
64 . 1 48 THR N 1 48 THR CA 1 48 THR C 1 49 LYS N -27.00 -7.66 -14.23 -27.11 -5.64 2.02 1 0 "[ . 1 . 2]"
65 . 1 49 LYS C 1 50 ARG N 1 50 ARG CA 1 50 ARG C -123.19 -68.55 -82.47 -106.07 -68.31 0.24 8 0 "[ . 1 . 2]"
66 . 1 50 ARG N 1 50 ARG CA 1 50 ARG C 1 51 GLU N -27.98 11.22 -26.25 -29.86 -14.13 1.88 20 0 "[ . 1 . 2]"
67 . 1 50 ARG C 1 51 GLU N 1 51 GLU CA 1 51 GLU C -109.78 -68.38 -103.61 -112.02 -83.02 2.24 19 0 "[ . 1 . 2]"
68 . 1 51 GLU N 1 51 GLU CA 1 51 GLU C 1 52 ARG N 129.04 156.10 131.27 125.08 144.75 3.96 14 0 "[ . 1 . 2]"
69 . 1 51 GLU C 1 52 ARG N 1 52 ARG CA 1 52 ARG C -105.63 -69.07 -104.36 -106.24 -106.38 2.67 6 0 "[ . 1 . 2]"
70 . 1 52 ARG N 1 52 ARG CA 1 52 ARG C 1 53 PRO N 130.47 153.73 152.21 153.93 153.82 1.24 3 0 "[ . 1 . 2]"
71 . 1 53 PRO N 1 53 PRO CA 1 53 PRO C 1 54 TYR N 135.39 155.31 136.75 140.18 137.95 1.30 14 0 "[ . 1 . 2]"
72 . 1 53 PRO C 1 54 TYR N 1 54 TYR CA 1 54 TYR C -133.32 -94.24 -131.36 -133.84 -133.88 0.56 1 0 "[ . 1 . 2]"
73 . 1 54 TYR N 1 54 TYR CA 1 54 TYR C 1 55 TRP N 117.43 147.99 132.25 127.79 123.54 . . 0 "[ . 1 . 2]"
74 . 1 54 TYR C 1 55 TRP N 1 55 TRP CA 1 55 TRP C -134.96 -105.26 -115.92 -125.47 -106.66 . . 0 "[ . 1 . 2]"
75 . 1 55 TRP N 1 55 TRP CA 1 55 TRP C 1 56 TYR N 123.06 154.30 134.79 137.26 136.91 . . 0 "[ . 1 . 2]"
76 . 1 55 TRP C 1 56 TYR N 1 56 TYR CA 1 56 TYR C -152.43 -111.55 -114.41 -117.81 -111.19 0.36 20 0 "[ . 1 . 2]"
77 . 1 56 TYR N 1 56 TYR CA 1 56 TYR C 1 57 LEU N 134.43 156.55 141.81 141.39 141.21 . . 0 "[ . 1 . 2]"
78 . 1 56 TYR C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -160.88 -128.32 -125.65 -125.73 -125.89 3.04 9 0 "[ . 1 . 2]"
79 . 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 PHE N 143.28 169.60 142.53 142.65 142.59 1.14 20 0 "[ . 1 . 2]"
80 . 1 57 LEU C 1 58 PHE N 1 58 PHE CA 1 58 PHE C -140.22 -113.62 -132.99 -134.48 -130.54 . . 0 "[ . 1 . 2]"
81 . 1 58 PHE N 1 58 PHE CA 1 58 PHE C 1 59 ASP N 139.92 159.22 141.77 140.84 139.96 0.61 20 0 "[ . 1 . 2]"
82 . 1 58 PHE C 1 59 ASP N 1 59 ASP CA 1 59 ASP C -131.46 -77.90 -83.38 -89.17 -77.58 0.32 13 0 "[ . 1 . 2]"
83 . 1 59 ASP C 1 60 ASN N 1 60 ASN CA 1 60 ASN C -150.25 -102.03 -130.41 -131.76 -133.26 . . 0 "[ . 1 . 2]"
84 . 1 60 ASN N 1 60 ASN CA 1 60 ASN C 1 61 VAL N 157.28 175.98 162.28 156.87 172.51 0.41 10 0 "[ . 1 . 2]"
85 . 1 61 VAL C 1 62 ASN N 1 62 ASN CA 1 62 ASN C 46.71 63.81 58.03 53.83 62.44 . . 0 "[ . 1 . 2]"
86 . 1 62 ASN N 1 62 ASN CA 1 62 ASN C 1 63 TYR N 31.77 51.75 30.55 30.13 29.87 1.91 10 0 "[ . 1 . 2]"
87 . 1 62 ASN C 1 63 TYR N 1 63 TYR CA 1 63 TYR C 49.50 62.66 59.34 57.51 56.49 0.35 16 0 "[ . 1 . 2]"
88 . 1 63 TYR N 1 63 TYR CA 1 63 TYR C 1 64 THR N 31.94 50.66 43.22 38.70 50.93 0.27 10 0 "[ . 1 . 2]"
89 . 1 63 TYR C 1 64 THR N 1 64 THR CA 1 64 THR C -150.79 -112.29 -115.79 -118.94 -120.68 0.79 4 0 "[ . 1 . 2]"
90 . 1 64 THR N 1 64 THR CA 1 64 THR C 1 65 GLY N 151.94 176.44 171.79 161.70 177.59 1.15 10 0 "[ . 1 . 2]"
91 . 1 65 GLY C 1 66 ARG N 1 66 ARG CA 1 66 ARG C -118.50 -72.62 -82.34 -114.08 -72.41 0.21 14 0 "[ . 1 . 2]"
92 . 1 66 ARG N 1 66 ARG CA 1 66 ARG C 1 67 ILE N 129.68 158.12 148.55 147.14 144.14 . . 0 "[ . 1 . 2]"
93 . 1 66 ARG C 1 67 ILE N 1 67 ILE CA 1 67 ILE C -140.53 -106.85 -125.96 -133.12 -115.24 . . 0 "[ . 1 . 2]"
94 . 1 67 ILE N 1 67 ILE CA 1 67 ILE C 1 68 THR N 137.33 149.85 137.48 138.71 137.63 0.90 14 0 "[ . 1 . 2]"
95 . 1 67 ILE C 1 68 THR N 1 68 THR CA 1 68 THR C -129.69 -97.51 -131.78 -131.69 -131.79 2.80 10 0 "[ . 1 . 2]"
96 . 1 68 THR N 1 68 THR CA 1 68 THR C 1 69 GLY N 113.86 136.20 124.64 127.47 126.44 . . 0 "[ . 1 . 2]"
97 . 1 68 THR C 1 69 GLY N 1 69 GLY CA 1 69 GLY C -114.75 -70.23 -112.14 -115.17 -108.01 0.42 10 0 "[ . 1 . 2]"
98 . 1 69 GLY N 1 69 GLY CA 1 69 GLY C 1 70 LEU N 104.51 159.81 120.34 125.70 124.82 . . 0 "[ . 1 . 2]"
99 . 1 69 GLY C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -155.14 -90.86 -112.69 -118.21 -119.13 . . 0 "[ . 1 . 2]"
100 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 GLY N 146.13 165.95 145.68 144.79 147.76 1.34 7 0 "[ . 1 . 2]"
101 . 1 70 LEU C 1 71 GLY N 1 71 GLY CA 1 71 GLY C -140.81 -85.83 -117.71 -123.33 -110.33 . . 0 "[ . 1 . 2]"
102 . 1 71 GLY N 1 71 GLY CA 1 71 GLY C 1 72 HIS N 142.44 -175.08 169.84 168.32 168.07 . . 0 "[ . 1 . 2]"
103 . 1 71 GLY C 1 72 HIS N 1 72 HIS CA 1 72 HIS C -65.87 -50.39 -60.16 -66.08 -50.23 0.21 20 0 "[ . 1 . 2]"
104 . 1 72 HIS N 1 72 HIS CA 1 72 HIS C 1 73 GLY N 122.29 145.55 124.73 121.50 132.81 0.79 3 0 "[ . 1 . 2]"
105 . 1 72 HIS C 1 73 GLY N 1 73 GLY CA 1 73 GLY C 63.57 91.25 87.95 73.75 92.15 0.90 5 0 "[ . 1 . 2]"
106 . 1 73 GLY N 1 73 GLY CA 1 73 GLY C 1 74 THR N -15.28 33.52 5.35 12.37 8.23 . . 0 "[ . 1 . 2]"
107 . 1 73 GLY C 1 74 THR N 1 74 THR CA 1 74 THR C -153.89 -106.73 -116.35 -135.69 -106.25 0.48 4 0 "[ . 1 . 2]"
108 . 1 74 THR N 1 74 THR CA 1 74 THR C 1 75 CYS N 147.14 175.28 146.19 146.71 146.54 1.66 15 0 "[ . 1 . 2]"
109 . 1 74 THR C 1 75 CYS N 1 75 CYS CA 1 75 CYS C -149.60 -119.24 -138.12 -139.53 -139.80 . . 0 "[ . 1 . 2]"
110 . 1 75 CYS N 1 75 CYS CA 1 75 CYS C 1 76 ILE N 149.40 164.54 156.34 152.93 152.30 . . 0 "[ . 1 . 2]"
111 . 1 75 CYS C 1 76 ILE N 1 76 ILE CA 1 76 ILE C -92.79 -64.33 -93.76 -95.31 -92.81 2.52 11 0 "[ . 1 . 2]"
112 . 1 76 ILE N 1 76 ILE CA 1 76 ILE C 1 77 ASP N 122.79 158.53 129.84 122.15 135.81 0.64 2 0 "[ . 1 . 2]"
113 . 1 76 ILE C 1 77 ASP N 1 77 ASP CA 1 77 ASP C -69.90 -43.12 -70.31 -70.57 -70.81 1.87 11 0 "[ . 1 . 2]"
114 . 1 77 ASP N 1 77 ASP CA 1 77 ASP C 1 78 ASP N -46.39 -19.49 -47.48 -47.67 -47.90 2.27 8 0 "[ . 1 . 2]"
115 . 1 78 ASP C 1 79 PHE N 1 79 PHE CA 1 79 PHE C -63.38 -54.98 -64.80 -65.59 -63.84 2.21 2 0 "[ . 1 . 2]"
116 . 1 79 PHE N 1 79 PHE CA 1 79 PHE C 1 80 THR N -48.34 -30.10 -34.09 -38.02 -38.37 0.57 17 0 "[ . 1 . 2]"
117 . 1 79 PHE C 1 80 THR N 1 80 THR CA 1 80 THR C -80.64 -64.02 -65.30 -75.67 -62.91 1.11 17 0 "[ . 1 . 2]"
118 . 1 80 THR N 1 80 THR CA 1 80 THR C 1 81 LYS N -45.57 -16.09 -24.28 -18.78 -21.01 0.24 2 0 "[ . 1 . 2]"
119 . 1 80 THR C 1 81 LYS N 1 81 LYS CA 1 81 LYS C -94.30 -63.12 -91.90 -95.36 -83.64 1.06 5 0 "[ . 1 . 2]"
120 . 1 81 LYS N 1 81 LYS CA 1 81 LYS C 1 82 SER N -38.96 -6.82 -8.14 -11.04 -14.88 1.23 3 0 "[ . 1 . 2]"
121 . 1 81 LYS C 1 82 SER N 1 82 SER CA 1 82 SER C -84.29 -62.51 -80.71 -85.24 -63.87 0.95 17 0 "[ . 1 . 2]"
122 . 1 83 GLY C 1 84 PHE N 1 84 PHE CA 1 84 PHE C -109.77 -73.35 -107.47 -111.26 -85.73 1.49 16 0 "[ . 1 . 2]"
123 . 1 84 PHE N 1 84 PHE CA 1 84 PHE C 1 85 LYS N 87.95 149.07 146.61 139.20 150.40 1.33 6 0 "[ . 1 . 2]"
124 . 1 84 PHE C 1 85 LYS N 1 85 LYS CA 1 85 LYS C -113.21 -92.25 -112.89 -113.66 -113.94 1.03 17 0 "[ . 1 . 2]"
125 . 1 85 LYS N 1 85 LYS CA 1 85 LYS C 1 86 GLY N -22.99 10.23 -9.01 -14.22 -0.52 . . 0 "[ . 1 . 2]"
126 . 1 86 GLY C 1 87 ILE N 1 87 ILE CA 1 87 ILE C -129.68 -69.46 -94.86 -93.32 -94.26 . . 0 "[ . 1 . 2]"
127 . 1 87 ILE N 1 87 ILE CA 1 87 ILE C 1 88 SER N 119.34 148.58 115.63 114.96 116.30 4.38 8 0 "[ . 1 . 2]"
128 . 1 87 ILE C 1 88 SER N 1 88 SER CA 1 88 SER C -80.75 -57.27 -85.89 -86.77 -85.28 6.02 8 12 "[ * ***+ 1- **.** **]"
129 . 1 88 SER N 1 88 SER CA 1 88 SER C 1 89 SER N -43.89 -20.21 -27.60 -29.90 -23.97 . . 0 "[ . 1 . 2]"
130 . 1 89 SER C 1 90 ILE N 1 90 ILE CA 1 90 ILE C -154.08 -126.64 -134.81 -137.48 -130.97 . . 0 "[ . 1 . 2]"
131 . 1 90 ILE N 1 90 ILE CA 1 90 ILE C 1 91 LYS N 127.24 160.58 131.60 129.27 133.94 . . 0 "[ . 1 . 2]"
132 . 1 90 ILE C 1 91 LYS N 1 91 LYS CA 1 91 LYS C -139.23 -117.81 -117.76 -117.86 -122.02 1.68 11 0 "[ . 1 . 2]"
133 . 1 91 LYS N 1 91 LYS CA 1 91 LYS C 1 92 ARG N 118.43 133.15 130.94 132.82 131.58 0.77 13 0 "[ . 1 . 2]"
134 . 1 91 LYS C 1 92 ARG N 1 92 ARG CA 1 92 ARG C -123.94 -96.08 -99.02 -102.77 -95.49 0.59 9 0 "[ . 1 . 2]"
135 . 1 92 ARG N 1 92 ARG CA 1 92 ARG C 1 93 CYS N 110.30 129.26 126.08 126.77 123.37 0.84 7 0 "[ . 1 . 2]"
136 . 1 92 ARG C 1 93 CYS N 1 93 CYS CA 1 93 CYS C -136.77 -119.97 -123.11 -131.00 -118.86 1.11 1 0 "[ . 1 . 2]"
137 . 1 93 CYS N 1 93 CYS CA 1 93 CYS C 1 94 ILE N 152.19 171.63 171.42 170.23 168.62 1.25 2 0 "[ . 1 . 2]"
138 . 1 93 CYS C 1 94 ILE N 1 94 ILE CA 1 94 ILE C -152.44 -112.90 -128.41 -132.23 -124.09 . . 0 "[ . 1 . 2]"
139 . 1 94 ILE N 1 94 ILE CA 1 94 ILE C 1 95 GLN N 137.14 164.94 142.45 139.30 146.20 . . 0 "[ . 1 . 2]"
140 . 1 94 ILE C 1 95 GLN N 1 95 GLN CA 1 95 GLN C -135.48 -107.88 -114.34 -119.18 -122.60 . . 0 "[ . 1 . 2]"
141 . 1 95 GLN N 1 95 GLN CA 1 95 GLN C 1 96 THR N 119.15 144.95 121.19 120.29 119.70 0.94 10 0 "[ . 1 . 2]"
142 . 1 95 GLN C 1 96 THR N 1 96 THR CA 1 96 THR C -108.82 -67.72 -77.73 -77.88 -78.80 . . 0 "[ . 1 . 2]"
143 . 1 96 THR N 1 96 THR CA 1 96 THR C 1 97 LYS N 138.12 -178.82 177.43 179.67 179.16 0.45 14 0 "[ . 1 . 2]"
144 . 1 96 THR C 1 97 LYS N 1 97 LYS CA 1 97 LYS C -66.24 -57.02 -65.38 -67.58 -58.97 1.34 15 0 "[ . 1 . 2]"
145 . 1 97 LYS N 1 97 LYS CA 1 97 LYS C 1 98 ASP N -36.47 -19.87 -25.39 -36.63 -19.04 0.83 12 0 "[ . 1 . 2]"
146 . 1 97 LYS C 1 98 ASP N 1 98 ASP CA 1 98 ASP C -93.90 -77.18 -80.11 -78.77 -79.46 0.42 2 0 "[ . 1 . 2]"
147 . 1 98 ASP N 1 98 ASP CA 1 98 ASP C 1 99 GLY N -6.37 9.65 -7.86 -9.59 -1.67 3.22 3 0 "[ . 1 . 2]"
148 . 1 98 ASP C 1 99 GLY N 1 99 GLY CA 1 99 GLY C 80.16 96.62 90.50 88.68 85.97 0.59 18 0 "[ . 1 . 2]"
149 . 1 99 GLY N 1 99 GLY CA 1 99 GLY C 1 100 LYS N -11.30 9.36 -3.90 -4.48 -5.60 0.27 17 0 "[ . 1 . 2]"
150 . 1 99 GLY C 1 100 LYS N 1 100 LYS CA 1 100 LYS C -99.59 -64.91 -78.43 -94.44 -68.47 . . 0 "[ . 1 . 2]"
151 . 1 100 LYS N 1 100 LYS CA 1 100 LYS C 1 101 VAL N 131.49 156.01 140.87 135.13 134.91 . . 0 "[ . 1 . 2]"
152 . 1 100 LYS C 1 101 VAL N 1 101 VAL CA 1 101 VAL C -111.03 -92.53 -103.93 -100.39 -101.81 0.24 7 0 "[ . 1 . 2]"
153 . 1 101 VAL N 1 101 VAL CA 1 101 VAL C 1 102 GLU N 112.52 131.80 112.73 111.09 110.57 1.95 1 0 "[ . 1 . 2]"
154 . 1 101 VAL C 1 102 GLU N 1 102 GLU CA 1 102 GLU C -124.21 -94.23 -99.28 -98.01 -99.40 0.41 9 0 "[ . 1 . 2]"
155 . 1 102 GLU N 1 102 GLU CA 1 102 GLU C 1 103 CYS N 135.39 155.77 144.08 133.86 154.49 1.53 18 0 "[ . 1 . 2]"
156 . 1 102 GLU C 1 103 CYS N 1 103 CYS CA 1 103 CYS C -151.72 -131.18 -133.78 -131.01 -135.41 1.54 13 0 "[ . 1 . 2]"
157 . 1 103 CYS N 1 103 CYS CA 1 103 CYS C 1 104 ILE N 149.25 171.33 155.65 169.53 162.63 3.06 5 0 "[ . 1 . 2]"
158 . 1 103 CYS C 1 104 ILE N 1 104 ILE CA 1 104 ILE C -125.01 -73.63 -103.33 -83.74 -103.70 3.14 5 0 "[ . 1 . 2]"
159 . 1 104 ILE N 1 104 ILE CA 1 104 ILE C 1 105 ASN N 119.22 142.34 126.91 132.13 128.02 0.24 1 0 "[ . 1 . 2]"
160 . 1 104 ILE C 1 105 ASN N 1 105 ASN CA 1 105 ASN C -91.91 -65.45 -83.09 -75.34 -81.11 0.70 17 0 "[ . 1 . 2]"
161 . 1 105 ASN N 1 105 ASN CA 1 105 ASN C 1 106 GLN N 105.66 153.96 109.25 106.91 106.15 1.46 19 0 "[ . 1 . 2]"
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