NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
452384 |
2uzg   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2uzg
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 163
_TA_constraint_stats_list.Viol_count 717
_TA_constraint_stats_list.Viol_total 3219.26
_TA_constraint_stats_list.Viol_max 1.26
_TA_constraint_stats_list.Viol_rms 0.13
_TA_constraint_stats_list.Viol_average_all_restraints 0.05
_TA_constraint_stats_list.Viol_average_violations_only 0.22
_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 6 CYS N 1 6 CYS CA 1 6 CYS CB 1 6 CYS SG 135.00 -135.00 146.21 145.30 144.88 . . 0 "[ . 1 . 2]"
2 . 1 8 HIS N 1 8 HIS CA 1 8 HIS CB 1 8 HIS HB3 135.00 -135.00 -164.84 -164.17 -164.36 . . 0 "[ . 1 . 2]"
3 . 1 9 LEU N 1 9 LEU CA 1 9 LEU CB 1 9 LEU HB2 135.00 -135.00 -177.12 -173.44 -173.68 . . 0 "[ . 1 . 2]"
4 . 1 14 GLU N 1 14 GLU CA 1 14 GLU CB 1 14 GLU CG 135.00 -135.00 -146.18 -145.00 -147.48 . . 0 "[ . 1 . 2]"
5 . 1 19 ASP N 1 19 ASP CA 1 19 ASP CB 1 19 ASP HB3 135.00 -135.00 149.78 141.61 162.61 . . 0 "[ . 1 . 2]"
6 . 1 20 LEU N 1 20 LEU CA 1 20 LEU CB 1 20 LEU HB3 135.00 -135.00 169.79 167.98 166.71 . . 0 "[ . 1 . 2]"
7 . 1 25 LEU N 1 25 LEU CA 1 25 LEU CB 1 25 LEU HB3 135.00 -135.00 157.31 149.89 163.49 . . 0 "[ . 1 . 2]"
8 . 1 28 CYS N 1 28 CYS CA 1 28 CYS CB 1 28 CYS SG 135.00 -135.00 -169.19 -177.59 -160.95 . . 0 "[ . 1 . 2]"
9 . 1 31 CYS N 1 31 CYS CA 1 31 CYS CB 1 31 CYS HB2 135.00 -135.00 -177.07 172.08 -171.59 . . 0 "[ . 1 . 2]"
10 . 1 38 LEU N 1 38 LEU CA 1 38 LEU CB 1 38 LEU HB3 135.00 -135.00 139.88 139.21 136.91 0.21 16 0 "[ . 1 . 2]"
11 . 1 39 TRP N 1 39 TRP CA 1 39 TRP CB 1 39 TRP HB3 135.00 -135.00 179.99 173.50 -176.05 . . 0 "[ . 1 . 2]"
12 . 1 41 CYS N 1 41 CYS CA 1 41 CYS CB 1 41 CYS SG 135.00 -135.00 -168.11 -173.03 -165.73 . . 0 "[ . 1 . 2]"
13 . 1 42 LEU N 1 42 LEU CA 1 42 LEU CB 1 42 LEU CG 135.00 -135.00 -163.83 -172.19 -152.03 . . 0 "[ . 1 . 2]"
14 . 1 44 ASN N 1 44 ASN CA 1 44 ASN CB 1 44 ASN CG 135.00 -135.00 -174.91 -176.68 -170.53 . . 0 "[ . 1 . 2]"
15 . 1 46 CYS N 1 46 CYS CA 1 46 CYS CB 1 46 CYS SG 135.00 -135.00 -149.46 -150.82 -151.87 . . 0 "[ . 1 . 2]"
16 . 1 51 CYS N 1 51 CYS CA 1 51 CYS CB 1 51 CYS HB2 135.00 -135.00 167.70 165.41 165.09 . . 0 "[ . 1 . 2]"
17 . 1 55 GLN N 1 55 GLN CA 1 55 GLN CB 1 55 GLN HB3 135.00 -135.00 171.60 -178.27 -178.88 . . 0 "[ . 1 . 2]"
18 . 1 58 HIS N 1 58 HIS CA 1 58 HIS CB 1 58 HIS HB3 135.00 -135.00 140.83 135.27 145.56 . . 0 "[ . 1 . 2]"
19 . 1 62 HIS N 1 62 HIS CA 1 62 HIS CB 1 62 HIS CG 135.00 -135.00 170.82 171.21 171.00 . . 0 "[ . 1 . 2]"
20 . 1 68 HIS N 1 68 HIS CA 1 68 HIS CB 1 68 HIS HB3 135.00 -135.00 178.45 178.04 177.77 . . 0 "[ . 1 . 2]"
21 . 1 69 TYR N 1 69 TYR CA 1 69 TYR CB 1 69 TYR HB3 135.00 -135.00 -167.72 -178.16 -164.01 . . 0 "[ . 1 . 2]"
22 . 1 70 LEU N 1 70 LEU CA 1 70 LEU CB 1 70 LEU HB3 135.00 -135.00 166.19 151.11 173.68 . . 0 "[ . 1 . 2]"
23 . 1 74 LEU N 1 74 LEU CA 1 74 LEU CB 1 74 LEU HB3 135.00 -135.00 -162.93 -162.79 -163.38 . . 0 "[ . 1 . 2]"
24 . 1 77 LEU N 1 77 LEU CA 1 77 LEU CB 1 77 LEU HB3 135.00 -135.00 154.53 156.67 154.82 . . 0 "[ . 1 . 2]"
25 . 1 80 TRP N 1 80 TRP CA 1 80 TRP CB 1 80 TRP CG 135.00 -135.00 179.80 -179.35 -179.85 . . 0 "[ . 1 . 2]"
26 . 1 81 CYS N 1 81 CYS CA 1 81 CYS CB 1 81 CYS SG 135.00 -135.00 -166.53 -169.53 -162.53 . . 0 "[ . 1 . 2]"
27 . 1 82 TYR N 1 82 TYR CA 1 82 TYR CB 1 82 TYR HB3 135.00 -135.00 160.35 161.65 160.86 . . 0 "[ . 1 . 2]"
28 . 1 84 CYS N 1 84 CYS CA 1 84 CYS CB 1 84 CYS HB3 135.00 -135.00 154.15 153.74 152.98 . . 0 "[ . 1 . 2]"
29 . 1 89 PHE N 1 89 PHE CA 1 89 PHE CB 1 89 PHE HB2 135.00 -135.00 175.55 172.49 171.04 . . 0 "[ . 1 . 2]"
30 . 1 12 VAL N 1 12 VAL CA 1 12 VAL CB 1 12 VAL HB 135.00 -135.00 -179.59 178.78 178.06 . . 0 "[ . 1 . 2]"
31 . 1 49 VAL N 1 49 VAL CA 1 49 VAL CB 1 49 VAL CG1 135.00 -135.00 -167.50 -168.76 -169.39 . . 0 "[ . 1 . 2]"
32 . 1 72 VAL N 1 72 VAL CA 1 72 VAL CB 1 72 VAL CG2 135.00 -135.00 -173.87 -175.21 -171.00 . . 0 "[ . 1 . 2]"
33 . 1 88 VAL N 1 88 VAL CA 1 88 VAL CB 1 88 VAL HB 135.00 -135.00 168.99 164.93 177.43 . . 0 "[ . 1 . 2]"
34 . 1 5 HIS C 1 6 CYS N 1 6 CYS CA 1 6 CYS C -126.00 -48.00 -90.48 -125.13 -60.67 . . 0 "[ . 1 . 2]"
35 . 1 7 PRO C 1 8 HIS N 1 8 HIS CA 1 8 HIS C -75.00 -39.00 -47.82 -67.81 -45.47 . . 0 "[ . 1 . 2]"
36 . 1 8 HIS C 1 9 LEU N 1 9 LEU CA 1 9 LEU C -78.40 -55.80 -75.16 -78.52 -73.23 0.12 16 0 "[ . 1 . 2]"
37 . 1 9 LEU C 1 10 ASP N 1 10 ASP CA 1 10 ASP C -82.10 -49.10 -58.07 -62.30 -54.77 . . 0 "[ . 1 . 2]"
38 . 1 10 ASP C 1 11 SER N 1 11 SER CA 1 11 SER C -128.00 -50.00 -84.65 -89.33 -80.87 . . 0 "[ . 1 . 2]"
39 . 1 13 GLY C 1 14 GLU N 1 14 GLU CA 1 14 GLU C -140.50 -47.50 -130.80 -139.97 -140.35 0.12 8 0 "[ . 1 . 2]"
40 . 1 14 GLU C 1 15 ILE N 1 15 ILE CA 1 15 ILE C -134.50 -83.50 -101.17 -112.93 -83.59 . . 0 "[ . 1 . 2]"
41 . 1 15 ILE C 1 16 THR N 1 16 THR CA 1 16 THR C -98.10 -76.90 -80.45 -94.20 -76.76 0.14 13 0 "[ . 1 . 2]"
42 . 1 16 THR C 1 17 LYS N 1 17 LYS CA 1 17 LYS C -63.40 -56.80 -61.34 -60.00 -60.69 0.21 17 0 "[ . 1 . 2]"
43 . 1 17 LYS C 1 18 GLU N 1 18 GLU CA 1 18 GLU C -69.20 -59.00 -60.30 -58.93 -59.58 0.38 15 0 "[ . 1 . 2]"
44 . 1 18 GLU C 1 19 ASP N 1 19 ASP CA 1 19 ASP C -72.30 -54.30 -72.06 -72.36 -72.39 0.40 3 0 "[ . 1 . 2]"
45 . 1 19 ASP C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -71.70 -55.50 -66.97 -71.84 -59.50 0.14 15 0 "[ . 1 . 2]"
46 . 1 20 LEU C 1 21 ILE N 1 21 ILE CA 1 21 ILE C -86.00 -52.60 -55.38 -58.35 -53.36 . . 0 "[ . 1 . 2]"
47 . 1 21 ILE C 1 22 GLN N 1 22 GLN CA 1 22 GLN C -68.50 -59.50 -67.37 -65.11 -66.44 0.52 12 0 "[ . 1 . 2]"
48 . 1 22 GLN C 1 23 LYS N 1 23 LYS CA 1 23 LYS C -69.00 -57.00 -68.01 -69.15 -63.96 0.15 9 0 "[ . 1 . 2]"
49 . 1 23 LYS C 1 24 SER N 1 24 SER CA 1 24 SER C -106.50 -43.50 -72.06 -72.83 -73.29 . . 0 "[ . 1 . 2]"
50 . 1 24 SER C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -111.00 -63.00 -62.12 -62.19 -62.22 1.15 15 0 "[ . 1 . 2]"
51 . 1 25 LEU C 1 26 GLY N 1 26 GLY CA 1 26 GLY C 58.50 109.50 90.00 84.78 94.79 . . 0 "[ . 1 . 2]"
52 . 1 26 GLY C 1 27 THR N 1 27 THR CA 1 27 THR C -144.00 -60.00 -144.20 -144.46 -144.04 0.46 4 0 "[ . 1 . 2]"
53 . 1 27 THR C 1 28 CYS N 1 28 CYS CA 1 28 CYS C -86.50 -47.50 -87.04 -87.45 -86.80 0.95 15 0 "[ . 1 . 2]"
54 . 1 28 CYS C 1 29 GLN N 1 29 GLN CA 1 29 GLN C -77.00 -59.00 -76.98 -77.26 -75.23 0.26 5 0 "[ . 1 . 2]"
55 . 1 29 GLN C 1 30 ASP N 1 30 ASP CA 1 30 ASP C -113.00 -65.00 -81.81 -72.30 -74.94 . . 0 "[ . 1 . 2]"
56 . 1 38 LEU C 1 39 TRP N 1 39 TRP CA 1 39 TRP C -142.00 -82.00 -113.09 -115.40 -116.18 . . 0 "[ . 1 . 2]"
57 . 1 39 TRP C 1 40 ALA N 1 40 ALA CA 1 40 ALA C -143.00 -107.00 -133.72 -133.37 -135.13 0.14 6 0 "[ . 1 . 2]"
58 . 1 42 LEU C 1 43 GLU N 1 43 GLU CA 1 43 GLU C -92.50 -53.50 -54.02 -53.47 -53.54 0.23 3 0 "[ . 1 . 2]"
59 . 1 43 GLU C 1 44 ASN N 1 44 ASN CA 1 44 ASN C -87.00 -51.00 -61.80 -70.51 -51.70 . . 0 "[ . 1 . 2]"
60 . 1 44 ASN C 1 45 ARG N 1 45 ARG CA 1 45 ARG C -85.00 -55.00 -80.28 -85.06 -76.14 0.06 7 0 "[ . 1 . 2]"
61 . 1 45 ARG C 1 46 CYS N 1 46 CYS CA 1 46 CYS C -114.00 -54.00 -102.83 -101.94 -103.11 0.11 3 0 "[ . 1 . 2]"
62 . 1 47 SER C 1 48 TYR N 1 48 TYR CA 1 48 TYR C -136.50 -25.50 -102.57 -110.80 -112.97 . . 0 "[ . 1 . 2]"
63 . 1 48 TYR C 1 49 VAL N 1 49 VAL CA 1 49 VAL C -138.00 -90.00 -109.35 -112.47 -113.56 . . 0 "[ . 1 . 2]"
64 . 1 49 VAL C 1 50 GLY N 1 50 GLY CA 1 50 GLY C -145.50 -100.50 -136.18 -142.99 -129.33 . . 0 "[ . 1 . 2]"
65 . 1 50 GLY C 1 51 CYS N 1 51 CYS CA 1 51 CYS C -160.50 -103.50 -104.02 -107.91 -103.18 0.32 19 0 "[ . 1 . 2]"
66 . 1 52 GLY C 1 53 GLU N 1 53 GLU CA 1 53 GLU C -65.00 -53.00 -60.24 -65.20 -56.05 0.20 14 0 "[ . 1 . 2]"
67 . 1 53 GLU C 1 54 SER N 1 54 SER CA 1 54 SER C -89.50 -62.50 -62.25 -62.20 -62.20 0.41 5 0 "[ . 1 . 2]"
68 . 1 57 ASP C 1 58 HIS N 1 58 HIS CA 1 58 HIS C -74.50 -53.50 -54.61 -54.79 -55.16 0.11 18 0 "[ . 1 . 2]"
69 . 1 58 HIS C 1 59 SER N 1 59 SER CA 1 59 SER C -73.50 -58.50 -59.76 -59.77 -60.25 . . 0 "[ . 1 . 2]"
70 . 1 59 SER C 1 60 THR N 1 60 THR CA 1 60 THR C -82.00 -58.00 -70.83 -70.51 -70.70 . . 0 "[ . 1 . 2]"
71 . 1 60 THR C 1 61 ILE N 1 61 ILE CA 1 61 ILE C -70.50 -55.50 -57.55 -58.03 -58.10 . . 0 "[ . 1 . 2]"
72 . 1 61 ILE C 1 62 HIS N 1 62 HIS CA 1 62 HIS C -73.50 -52.50 -59.03 -60.40 -57.19 . . 0 "[ . 1 . 2]"
73 . 1 62 HIS C 1 63 SER N 1 63 SER CA 1 63 SER C -70.00 -58.00 -58.60 -58.08 -58.24 0.09 15 0 "[ . 1 . 2]"
74 . 1 63 SER C 1 64 GLN N 1 64 GLN CA 1 64 GLN C -70.50 -55.50 -70.54 -70.84 -68.01 0.34 5 0 "[ . 1 . 2]"
75 . 1 64 GLN C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -90.00 -48.00 -50.15 -49.71 -50.05 . . 0 "[ . 1 . 2]"
76 . 1 65 GLU C 1 66 THR N 1 66 THR CA 1 66 THR C -121.00 -67.00 -104.99 -108.43 -97.17 . . 0 "[ . 1 . 2]"
77 . 1 66 THR C 1 67 LYS N 1 67 LYS CA 1 67 LYS C 48.50 69.50 56.96 57.71 57.28 . . 0 "[ . 1 . 2]"
78 . 1 67 LYS C 1 68 HIS N 1 68 HIS CA 1 68 HIS C -125.00 -71.00 -87.08 -87.51 -87.79 . . 0 "[ . 1 . 2]"
79 . 1 69 TYR C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -152.00 -86.00 -124.13 -136.09 -109.79 . . 0 "[ . 1 . 2]"
80 . 1 70 LEU C 1 71 THR N 1 71 THR CA 1 71 THR C -139.00 -109.00 -136.56 -137.04 -137.55 0.11 16 0 "[ . 1 . 2]"
81 . 1 71 THR C 1 72 VAL N 1 72 VAL CA 1 72 VAL C -147.50 -120.50 -120.29 -120.89 -120.15 0.35 1 0 "[ . 1 . 2]"
82 . 1 72 VAL C 1 73 ASN N 1 73 ASN CA 1 73 ASN C -91.50 -58.50 -77.15 -74.73 -76.28 . . 0 "[ . 1 . 2]"
83 . 1 73 ASN C 1 74 LEU N 1 74 LEU CA 1 74 LEU C -72.00 -54.00 -72.32 -72.60 -72.09 0.60 12 0 "[ . 1 . 2]"
84 . 1 74 LEU C 1 75 THR N 1 75 THR CA 1 75 THR C -82.00 -52.00 -79.27 -82.33 -68.03 0.33 5 0 "[ . 1 . 2]"
85 . 1 75 THR C 1 76 THR N 1 76 THR CA 1 76 THR C -119.00 -53.00 -116.51 -114.17 -116.33 0.12 4 0 "[ . 1 . 2]"
86 . 1 77 LEU C 1 78 ARG N 1 78 ARG CA 1 78 ARG C -114.00 -48.00 -113.72 -114.34 -105.92 0.34 12 0 "[ . 1 . 2]"
87 . 1 78 ARG C 1 79 VAL N 1 79 VAL CA 1 79 VAL C -126.00 -90.00 -101.68 -111.72 -92.50 . . 0 "[ . 1 . 2]"
88 . 1 79 VAL C 1 80 TRP N 1 80 TRP CA 1 80 TRP C -155.00 -107.00 -131.42 -132.36 -132.79 . . 0 "[ . 1 . 2]"
89 . 1 80 TRP C 1 81 CYS N 1 81 CYS CA 1 81 CYS C -122.00 -74.00 -115.11 -113.09 -114.07 . . 0 "[ . 1 . 2]"
90 . 1 81 CYS C 1 82 TYR N 1 82 TYR CA 1 82 TYR C -69.00 -57.00 -69.27 -69.25 -69.27 0.46 19 0 "[ . 1 . 2]"
91 . 1 82 TYR C 1 83 ALA N 1 83 ALA CA 1 83 ALA C -76.50 -55.50 -60.10 -62.47 -58.39 . . 0 "[ . 1 . 2]"
92 . 1 83 ALA C 1 84 CYS N 1 84 CYS CA 1 84 CYS C -70.50 -55.50 -69.41 -70.37 -68.30 . . 0 "[ . 1 . 2]"
93 . 1 85 SER C 1 86 LYS N 1 86 LYS CA 1 86 LYS C -176.50 -59.50 -174.15 -176.61 -165.94 0.11 11 0 "[ . 1 . 2]"
94 . 1 86 LYS C 1 87 GLU N 1 87 GLU CA 1 87 GLU C -139.00 -55.00 -86.63 -86.78 -87.75 . . 0 "[ . 1 . 2]"
95 . 1 87 GLU C 1 88 VAL N 1 88 VAL CA 1 88 VAL C -151.00 -115.00 -130.98 -147.00 -120.72 . . 0 "[ . 1 . 2]"
96 . 1 88 VAL C 1 89 PHE N 1 89 PHE CA 1 89 PHE C -123.50 -72.50 -122.03 -123.68 -116.23 0.18 12 0 "[ . 1 . 2]"
97 . 1 89 PHE C 1 90 LEU N 1 90 LEU CA 1 90 LEU C -114.00 -60.00 -90.28 -103.88 -105.98 0.03 12 0 "[ . 1 . 2]"
98 . 1 91 ASP C 1 92 ARG N 1 92 ARG CA 1 92 ARG C -131.50 -50.50 -91.36 -81.00 -85.82 . . 0 "[ . 1 . 2]"
99 . 1 6 CYS N 1 6 CYS CA 1 6 CYS C 1 7 PRO N 133.00 163.00 134.17 132.51 137.10 0.49 16 0 "[ . 1 . 2]"
100 . 1 8 HIS N 1 8 HIS CA 1 8 HIS C 1 9 LEU N -55.00 -7.00 -55.12 -55.51 -53.56 0.51 14 0 "[ . 1 . 2]"
101 . 1 9 LEU N 1 9 LEU CA 1 9 LEU C 1 10 ASP N -48.20 -31.40 -35.13 -36.45 -37.06 . . 0 "[ . 1 . 2]"
102 . 1 10 ASP N 1 10 ASP CA 1 10 ASP C 1 11 SER N -51.80 -22.20 -21.94 -22.16 -21.58 0.62 16 0 "[ . 1 . 2]"
103 . 1 11 SER N 1 11 SER CA 1 11 SER C 1 12 VAL N -43.00 17.00 -43.15 -43.30 -43.02 0.30 11 0 "[ . 1 . 2]"
104 . 1 14 GLU N 1 14 GLU CA 1 14 GLU C 1 15 ILE N 96.50 165.50 156.97 160.38 157.98 0.03 15 0 "[ . 1 . 2]"
105 . 1 15 ILE N 1 15 ILE CA 1 15 ILE C 1 16 THR N 115.50 166.50 146.32 150.55 149.16 . . 0 "[ . 1 . 2]"
106 . 1 16 THR N 1 16 THR CA 1 16 THR C 1 17 LYS N 160.10 -179.50 160.02 160.06 160.06 0.28 14 0 "[ . 1 . 2]"
107 . 1 17 LYS N 1 17 LYS CA 1 17 LYS C 1 18 GLU N -47.40 -25.40 -36.98 -47.45 -29.15 0.05 10 0 "[ . 1 . 2]"
108 . 1 18 GLU N 1 18 GLU CA 1 18 GLU C 1 19 ASP N -46.70 -31.30 -39.84 -38.32 -41.78 0.20 3 0 "[ . 1 . 2]"
109 . 1 19 ASP N 1 19 ASP CA 1 19 ASP C 1 20 LEU N -56.70 -30.30 -43.72 -51.00 -35.77 . . 0 "[ . 1 . 2]"
110 . 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 ILE N -46.40 -32.00 -31.92 -32.46 -31.72 0.28 18 0 "[ . 1 . 2]"
111 . 1 21 ILE N 1 21 ILE CA 1 21 ILE C 1 22 GLN N -46.90 -36.30 -43.91 -47.04 -41.76 0.14 4 0 "[ . 1 . 2]"
112 . 1 22 GLN N 1 22 GLN CA 1 22 GLN C 1 23 LYS N -48.00 -36.00 -42.45 -41.82 -42.22 . . 0 "[ . 1 . 2]"
113 . 1 23 LYS N 1 23 LYS CA 1 23 LYS C 1 24 SER N -53.50 -32.50 -32.25 -32.31 -32.34 0.39 19 0 "[ . 1 . 2]"
114 . 1 24 SER N 1 24 SER CA 1 24 SER C 1 25 LEU N -61.00 -13.00 -12.60 -12.51 -12.57 0.67 5 0 "[ . 1 . 2]"
115 . 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 GLY N -19.00 23.00 -19.06 -19.16 -18.74 0.16 19 0 "[ . 1 . 2]"
116 . 1 26 GLY N 1 26 GLY CA 1 26 GLY C 1 27 THR N -23.50 51.50 47.15 41.69 51.57 0.07 16 0 "[ . 1 . 2]"
117 . 1 27 THR N 1 27 THR CA 1 27 THR C 1 28 CYS N 139.00 -179.00 138.40 137.78 138.72 1.22 15 0 "[ . 1 . 2]"
118 . 1 28 CYS N 1 28 CYS CA 1 28 CYS C 1 29 GLN N 83.00 161.00 140.07 139.98 138.84 . . 0 "[ . 1 . 2]"
119 . 1 29 GLN N 1 29 GLN CA 1 29 GLN C 1 30 ASP N -45.50 -0.50 -29.83 -42.24 -4.71 . . 0 "[ . 1 . 2]"
120 . 1 30 ASP N 1 30 ASP CA 1 30 ASP C 1 31 CYS N -53.00 13.00 -52.93 -53.20 -50.86 0.20 2 0 "[ . 1 . 2]"
121 . 1 39 TRP N 1 39 TRP CA 1 39 TRP C 1 40 ALA N 102.50 165.50 150.64 120.64 162.26 . . 0 "[ . 1 . 2]"
122 . 1 40 ALA N 1 40 ALA CA 1 40 ALA C 1 41 CYS N 93.00 159.00 141.76 143.30 142.28 . . 0 "[ . 1 . 2]"
123 . 1 43 GLU N 1 43 GLU CA 1 43 GLU C 1 44 ASN N 103.00 163.00 128.87 125.41 120.03 . . 0 "[ . 1 . 2]"
124 . 1 44 ASN N 1 44 ASN CA 1 44 ASN C 1 45 ARG N -55.00 -13.00 -38.52 -45.36 -32.81 . . 0 "[ . 1 . 2]"
125 . 1 45 ARG N 1 45 ARG CA 1 45 ARG C 1 46 CYS N -42.50 20.50 -21.63 -22.39 -22.40 . . 0 "[ . 1 . 2]"
126 . 1 46 CYS N 1 46 CYS CA 1 46 CYS C 1 47 SER N 120.00 150.00 137.20 119.92 150.12 0.12 20 0 "[ . 1 . 2]"
127 . 1 48 TYR N 1 48 TYR CA 1 48 TYR C 1 49 VAL N 109.50 148.50 147.27 142.21 148.62 0.12 17 0 "[ . 1 . 2]"
128 . 1 49 VAL N 1 49 VAL CA 1 49 VAL C 1 50 GLY N 109.00 157.00 123.66 122.30 120.99 . . 0 "[ . 1 . 2]"
129 . 1 50 GLY N 1 50 GLY CA 1 50 GLY C 1 51 CYS N 110.50 167.50 163.10 161.51 161.33 0.09 10 0 "[ . 1 . 2]"
130 . 1 51 CYS N 1 51 CYS CA 1 51 CYS C 1 52 GLY N 135.50 -161.50 142.67 135.44 148.66 0.06 6 0 "[ . 1 . 2]"
131 . 1 53 GLU N 1 53 GLU CA 1 53 GLU C 1 54 SER N -34.50 -13.50 -19.00 -19.84 -20.17 0.08 12 0 "[ . 1 . 2]"
132 . 1 54 SER N 1 54 SER CA 1 54 SER C 1 55 GLN N -35.00 7.00 -18.32 -20.18 -16.67 . . 0 "[ . 1 . 2]"
133 . 1 58 HIS N 1 58 HIS CA 1 58 HIS C 1 59 SER N -54.00 -24.00 -37.15 -35.30 -35.56 . . 0 "[ . 1 . 2]"
134 . 1 59 SER N 1 59 SER CA 1 59 SER C 1 60 THR N -47.50 -26.50 -36.98 -39.71 -35.40 . . 0 "[ . 1 . 2]"
135 . 1 60 THR N 1 60 THR CA 1 60 THR C 1 61 ILE N -53.00 -29.00 -50.06 -45.44 -47.52 0.06 5 0 "[ . 1 . 2]"
136 . 1 61 ILE N 1 61 ILE CA 1 61 ILE C 1 62 HIS N -51.50 -36.50 -50.29 -51.54 -47.76 0.04 3 0 "[ . 1 . 2]"
137 . 1 62 HIS N 1 62 HIS CA 1 62 HIS C 1 63 SER N -49.50 -28.50 -38.17 -39.99 -35.90 . . 0 "[ . 1 . 2]"
138 . 1 63 SER N 1 63 SER CA 1 63 SER C 1 64 GLN N -51.50 -24.50 -43.27 -43.51 -43.67 . . 0 "[ . 1 . 2]"
139 . 1 64 GLN N 1 64 GLN CA 1 64 GLN C 1 65 GLU N -48.50 -33.50 -48.84 -48.82 -48.83 1.26 13 0 "[ . 1 . 2]"
140 . 1 65 GLU N 1 65 GLU CA 1 65 GLU C 1 66 THR N -48.50 -9.50 -48.62 -48.71 -48.11 0.21 16 0 "[ . 1 . 2]"
141 . 1 66 THR N 1 66 THR CA 1 66 THR C 1 67 LYS N -36.50 26.50 12.09 9.11 17.67 . . 0 "[ . 1 . 2]"
142 . 1 67 LYS N 1 67 LYS CA 1 67 LYS C 1 68 HIS N 22.50 55.50 22.17 22.08 22.04 0.63 10 0 "[ . 1 . 2]"
143 . 1 68 HIS N 1 68 HIS CA 1 68 HIS C 1 69 TYR N 96.50 171.50 96.27 95.95 96.50 0.55 9 0 "[ . 1 . 2]"
144 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 THR N 115.50 166.50 117.54 117.50 117.35 . . 0 "[ . 1 . 2]"
145 . 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 VAL N 117.50 150.50 135.92 133.33 133.11 . . 0 "[ . 1 . 2]"
146 . 1 72 VAL N 1 72 VAL CA 1 72 VAL C 1 73 ASN N 111.00 159.00 122.32 113.19 126.90 . . 0 "[ . 1 . 2]"
147 . 1 73 ASN N 1 73 ASN CA 1 73 ASN C 1 74 LEU N 113.00 149.00 122.05 119.69 126.35 . . 0 "[ . 1 . 2]"
148 . 1 74 LEU N 1 74 LEU CA 1 74 LEU C 1 75 THR N -48.00 0.00 -14.04 -34.66 -7.49 . . 0 "[ . 1 . 2]"
149 . 1 75 THR N 1 75 THR CA 1 75 THR C 1 76 THR N -51.00 -27.00 -34.30 -35.85 -40.20 0.03 14 0 "[ . 1 . 2]"
150 . 1 76 THR N 1 76 THR CA 1 76 THR C 1 77 LEU N -49.50 31.50 -6.70 -15.79 3.46 . . 0 "[ . 1 . 2]"
151 . 1 78 ARG N 1 78 ARG CA 1 78 ARG C 1 79 VAL N 118.00 160.00 146.41 147.42 143.96 . . 0 "[ . 1 . 2]"
152 . 1 79 VAL N 1 79 VAL CA 1 79 VAL C 1 80 TRP N 108.00 150.00 149.94 150.06 150.05 0.24 6 0 "[ . 1 . 2]"
153 . 1 80 TRP N 1 80 TRP CA 1 80 TRP C 1 81 CYS N 121.50 166.50 141.58 140.88 140.45 . . 0 "[ . 1 . 2]"
154 . 1 81 CYS N 1 81 CYS CA 1 81 CYS C 1 82 TYR N 94.00 160.00 111.28 108.91 113.05 . . 0 "[ . 1 . 2]"
155 . 1 82 TYR N 1 82 TYR CA 1 82 TYR C 1 83 ALA N -42.00 -24.00 -41.77 -40.64 -41.14 0.21 17 0 "[ . 1 . 2]"
156 . 1 83 ALA N 1 83 ALA CA 1 83 ALA C 1 84 CYS N -52.50 -25.50 -52.60 -52.72 -52.42 0.22 19 0 "[ . 1 . 2]"
157 . 1 84 CYS N 1 84 CYS CA 1 84 CYS C 1 85 SER N -57.50 -30.50 -30.12 -30.26 -29.99 0.51 18 0 "[ . 1 . 2]"
158 . 1 86 LYS N 1 86 LYS CA 1 86 LYS C 1 87 GLU N 121.00 -173.00 175.39 164.06 -177.89 . . 0 "[ . 1 . 2]"
159 . 1 87 GLU N 1 87 GLU CA 1 87 GLU C 1 88 VAL N 110.50 149.50 141.59 142.00 139.32 . . 0 "[ . 1 . 2]"
160 . 1 88 VAL N 1 88 VAL CA 1 88 VAL C 1 89 PHE N 145.00 -179.00 168.80 159.32 -179.34 . . 0 "[ . 1 . 2]"
161 . 1 89 PHE N 1 89 PHE CA 1 89 PHE C 1 90 LEU N 120.50 159.50 139.20 122.02 159.48 . . 0 "[ . 1 . 2]"
162 . 1 90 LEU N 1 90 LEU CA 1 90 LEU C 1 91 ASP N 104.50 161.50 145.88 140.27 133.15 . . 0 "[ . 1 . 2]"
163 . 1 92 ARG N 1 92 ARG CA 1 92 ARG C 1 93 LYS N -51.00 33.00 -32.30 -31.33 -31.60 . . 0 "[ . 1 . 2]"
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