NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
377147 |
1g1e   |
4635 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1g1e
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 115
_TA_constraint_stats_list.Viol_total 1963.02
_TA_constraint_stats_list.Viol_max 5.64
_TA_constraint_stats_list.Viol_rms 0.34
_TA_constraint_stats_list.Viol_average_all_restraints 0.04
_TA_constraint_stats_list.Viol_average_violations_only 1.14
_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 . 2 8 VAL N 2 8 VAL CA 2 8 VAL CB 2 8 VAL CG1 150.00 -150.00 -177.79 -178.52 -178.61 . . 0 "[ . 1 .]"
2 . 2 17 VAL N 2 17 VAL CA 2 17 VAL CB 2 17 VAL CG1 150.00 -150.00 -174.19 178.71 -169.80 . . 0 "[ . 1 .]"
3 . 2 64 VAL N 2 64 VAL CA 2 64 VAL CB 2 64 VAL CG1 150.00 -150.00 -175.74 -174.82 -175.49 . . 0 "[ . 1 .]"
4 . 2 68 VAL N 2 68 VAL CA 2 68 VAL CB 2 68 VAL CG1 150.00 -150.00 178.10 174.99 173.64 . . 0 "[ . 1 .]"
5 . 2 14 ILE N 2 14 ILE CA 2 14 ILE CB 2 14 ILE CG1 -90.00 -30.00 -87.92 -90.61 -83.50 0.61 2 0 "[ . 1 .]"
6 . 2 20 ILE N 2 20 ILE CA 2 20 ILE CB 2 20 ILE CG1 -90.00 -30.00 -62.36 -62.73 -64.86 . . 0 "[ . 1 .]"
7 . 2 30 ILE N 2 30 ILE CA 2 30 ILE CB 2 30 ILE CG1 -90.00 -30.00 -56.71 -55.70 -56.29 . . 0 "[ . 1 .]"
8 . 2 37 ILE N 2 37 ILE CA 2 37 ILE CB 2 37 ILE CG1 -90.00 -30.00 -69.94 -75.02 -66.45 . . 0 "[ . 1 .]"
9 . 2 40 THR N 2 40 THR CA 2 40 THR CB 2 40 THR OG1 -90.00 -30.00 -61.95 -64.41 -65.64 . . 0 "[ . 1 .]"
10 . 2 56 THR N 2 56 THR CA 2 56 THR CB 2 56 THR OG1 150.00 -150.00 -151.07 -150.41 -152.93 4.33 13 0 "[ . 1 .]"
11 . 2 60 THR N 2 60 THR CA 2 60 THR CB 2 60 THR OG1 30.00 90.00 57.05 55.96 55.13 . . 0 "[ . 1 .]"
12 . 2 3 GLN N 2 3 GLN CA 2 3 GLN CB 2 3 GLN CG -90.00 -30.00 -63.83 -59.47 -61.25 . . 0 "[ . 1 .]"
13 . 2 4 ASN N 2 4 ASN CA 2 4 ASN CB 2 4 ASN CG -90.00 -30.00 -62.10 -64.51 -67.01 . . 0 "[ . 1 .]"
14 . 2 5 ASN N 2 5 ASN CA 2 5 ASN CB 2 5 ASN CG 30.00 90.00 56.74 40.24 62.68 . . 0 "[ . 1 .]"
15 . 2 10 PHE N 2 10 PHE CA 2 10 PHE CB 2 10 PHE CG 150.00 -150.00 -178.67 171.49 -169.14 . . 0 "[ . 1 .]"
16 . 2 12 HIS N 2 12 HIS CA 2 12 HIS CB 2 12 HIS CG 150.00 -150.00 -171.17 -173.65 -176.37 . . 0 "[ . 1 .]"
17 . 2 15 ASN N 2 15 ASN CA 2 15 ASN CB 2 15 ASN CG -90.00 -30.00 -88.57 -84.29 -84.81 1.01 8 0 "[ . 1 .]"
18 . 2 16 TYR N 2 16 TYR CA 2 16 TYR CB 2 16 TYR CG 150.00 -150.00 163.02 153.53 173.87 . . 0 "[ . 1 .]"
19 . 2 18 ASN N 2 18 ASN CA 2 18 ASN CB 2 18 ASN CG 150.00 -150.00 -175.55 -170.91 -173.90 . . 0 "[ . 1 .]"
20 . 2 19 LYS N 2 19 LYS CA 2 19 LYS CB 2 19 LYS CG -90.00 -30.00 -73.27 -92.15 -58.36 2.15 3 0 "[ . 1 .]"
21 . 2 21 LYS N 2 21 LYS CA 2 21 LYS CB 2 21 LYS CG 150.00 -150.00 -176.17 -178.61 179.56 . . 0 "[ . 1 .]"
22 . 2 22 ASN N 2 22 ASN CA 2 22 ASN CB 2 22 ASN CG -90.00 -30.00 -75.07 -84.22 -66.90 . . 0 "[ . 1 .]"
23 . 2 23 ARG N 2 23 ARG CA 2 23 ARG CB 2 23 ARG CG 150.00 -150.00 -173.01 176.77 -152.46 . . 0 "[ . 1 .]"
24 . 2 24 PHE N 2 24 PHE CA 2 24 PHE CB 2 24 PHE CG -90.00 -30.00 -39.45 -31.53 -38.67 2.29 11 0 "[ . 1 .]"
25 . 2 27 GLN N 2 27 GLN CA 2 27 GLN CB 2 27 GLN CG -90.00 -30.00 -57.34 -62.11 -65.37 . . 0 "[ . 1 .]"
26 . 2 29 ASP N 2 29 ASP CA 2 29 ASP CB 2 29 ASP CG -90.00 -30.00 -60.34 -59.32 -59.59 . . 0 "[ . 1 .]"
27 . 2 31 TYR N 2 31 TYR CA 2 31 TYR CB 2 31 TYR CG 150.00 -150.00 -154.10 -151.13 -153.28 0.70 4 0 "[ . 1 .]"
28 . 2 34 PHE N 2 34 PHE CA 2 34 PHE CB 2 34 PHE CG 150.00 -150.00 -179.70 176.74 -174.89 . . 0 "[ . 1 .]"
29 . 2 35 LEU N 2 35 LEU CA 2 35 LEU CB 2 35 LEU CG -90.00 -30.00 -61.40 -68.34 -55.56 . . 0 "[ . 1 .]"
30 . 2 38 LEU N 2 38 LEU CA 2 38 LEU CB 2 38 LEU CG -90.00 -30.00 -44.91 -48.76 -35.02 . . 0 "[ . 1 .]"
31 . 2 39 HIS N 2 39 HIS CA 2 39 HIS CB 2 39 HIS CG -90.00 -30.00 -74.91 -75.71 -76.22 . . 0 "[ . 1 .]"
32 . 2 41 TYR N 2 41 TYR CA 2 41 TYR CB 2 41 TYR CG 150.00 -150.00 177.93 177.91 176.07 . . 0 "[ . 1 .]"
33 . 2 43 LYS N 2 43 LYS CA 2 43 LYS CB 2 43 LYS CG -90.00 -30.00 -68.43 -68.39 -70.35 . . 0 "[ . 1 .]"
34 . 2 45 GLN N 2 45 GLN CA 2 45 GLN CB 2 45 GLN CG -90.00 -30.00 -49.30 -49.52 -51.04 . . 0 "[ . 1 .]"
35 . 2 47 ASN N 2 47 ASN CA 2 47 ASN CB 2 47 ASN CG -90.00 -30.00 -78.55 -88.78 -70.37 . . 0 "[ . 1 .]"
36 . 2 50 GLU N 2 50 GLU CA 2 50 GLU CB 2 50 GLU CG -90.00 -30.00 -67.81 -84.84 -61.62 . . 0 "[ . 1 .]"
37 . 2 54 ASN N 2 54 ASN CA 2 54 ASN CB 2 54 ASN CG -90.00 -30.00 -62.30 -68.10 -56.78 . . 0 "[ . 1 .]"
38 . 2 55 TYR N 2 55 TYR CA 2 55 TYR CB 2 55 TYR CG 150.00 -150.00 170.59 -177.34 176.95 . . 0 "[ . 1 .]"
39 . 2 61 GLU N 2 61 GLU CA 2 61 GLU CB 2 61 GLU CG -90.00 -30.00 -62.39 -59.60 -60.17 . . 0 "[ . 1 .]"
40 . 2 62 GLN N 2 62 GLN CA 2 62 GLN CB 2 62 GLN CG -90.00 -30.00 -61.55 -61.21 -61.42 . . 0 "[ . 1 .]"
41 . 2 63 GLU N 2 63 GLU CA 2 63 GLU CB 2 63 GLU CG -90.00 -30.00 -66.41 -62.19 -64.29 . . 0 "[ . 1 .]"
42 . 2 71 LEU N 2 71 LEU CA 2 71 LEU CB 2 71 LEU CG -90.00 -30.00 -63.49 -58.36 -60.08 . . 0 "[ . 1 .]"
43 . 2 72 PHE N 2 72 PHE CA 2 72 PHE CB 2 72 PHE CG -90.00 -30.00 -58.09 -60.44 -62.15 . . 0 "[ . 1 .]"
44 . 2 73 LYS N 2 73 LYS CA 2 73 LYS CB 2 73 LYS CG -90.00 -30.00 -68.57 -66.29 -68.23 . . 0 "[ . 1 .]"
45 . 2 74 ASN N 2 74 ASN CA 2 74 ASN CB 2 74 ASN CG 30.00 90.00 59.74 63.02 62.30 . . 0 "[ . 1 .]"
46 . 2 75 GLN N 2 75 GLN CA 2 75 GLN CB 2 75 GLN CG 30.00 90.00 43.44 38.23 60.93 . . 0 "[ . 1 .]"
47 . 2 78 LEU N 2 78 LEU CA 2 78 LEU CB 2 78 LEU CG -90.00 -30.00 -74.43 -90.84 -61.59 0.84 11 0 "[ . 1 .]"
48 . 2 81 GLU N 2 81 GLU CA 2 81 GLU CB 2 81 GLU CG 150.00 -150.00 -169.84 -160.61 -163.77 0.21 13 0 "[ . 1 .]"
49 . 2 82 PHE N 2 82 PHE CA 2 82 PHE CB 2 82 PHE CG 150.00 -150.00 -174.12 176.51 -165.67 . . 0 "[ . 1 .]"
50 . 2 85 PHE N 2 85 PHE CA 2 85 PHE CB 2 85 PHE CG -90.00 -30.00 -53.46 -49.88 -52.67 . . 0 "[ . 1 .]"
51 . 2 86 LEU N 2 86 LEU CA 2 86 LEU CB 2 86 LEU CG 30.00 90.00 67.86 57.28 78.70 . . 0 "[ . 1 .]"
52 . 2 88 ASP N 2 88 ASP CA 2 88 ASP CB 2 88 ASP CG -90.00 -30.00 -62.91 -65.42 -57.28 . . 0 "[ . 1 .]"
53 . 2 7 PRO C 2 8 VAL N 2 8 VAL CA 2 8 VAL C -75.20 -50.80 -62.97 -67.66 -61.52 . . 0 "[ . 1 .]"
54 . 2 8 VAL C 2 9 GLU N 2 9 GLU CA 2 9 GLU C -83.60 -44.00 -63.69 -62.15 -62.23 . . 0 "[ . 1 .]"
55 . 2 9 GLU C 2 10 PHE N 2 10 PHE CA 2 10 PHE C -72.00 -55.40 -61.42 -64.98 -58.62 . . 0 "[ . 1 .]"
56 . 2 10 PHE C 2 11 ASN N 2 11 ASN CA 2 11 ASN C -77.00 -51.80 -57.86 -55.58 -56.03 . . 0 "[ . 1 .]"
57 . 2 11 ASN C 2 12 HIS N 2 12 HIS CA 2 12 HIS C -79.20 -49.20 -58.45 -62.83 -52.34 . . 0 "[ . 1 .]"
58 . 2 12 HIS C 2 13 ALA N 2 13 ALA CA 2 13 ALA C -74.60 -53.40 -64.18 -67.49 -62.79 . . 0 "[ . 1 .]"
59 . 2 13 ALA C 2 14 ILE N 2 14 ILE CA 2 14 ILE C -75.30 -50.70 -52.00 -50.66 -51.09 0.73 3 0 "[ . 1 .]"
60 . 2 14 ILE C 2 15 ASN N 2 15 ASN CA 2 15 ASN C -79.00 -39.80 -59.68 -60.07 -60.12 . . 0 "[ . 1 .]"
61 . 2 15 ASN C 2 16 TYR N 2 16 TYR CA 2 16 TYR C -72.00 -55.20 -65.43 -65.39 -65.55 . . 0 "[ . 1 .]"
62 . 2 16 TYR C 2 17 VAL N 2 17 VAL CA 2 17 VAL C -76.00 -51.20 -58.94 -58.37 -59.04 . . 0 "[ . 1 .]"
63 . 2 17 VAL C 2 18 ASN N 2 18 ASN CA 2 18 ASN C -76.50 -40.90 -55.98 -56.63 -58.58 . . 0 "[ . 1 .]"
64 . 2 18 ASN C 2 19 LYS N 2 19 LYS CA 2 19 LYS C -76.60 -49.40 -54.40 -61.89 -49.58 . . 0 "[ . 1 .]"
65 . 2 19 LYS C 2 20 ILE N 2 20 ILE CA 2 20 ILE C -75.40 -54.20 -62.91 -61.79 -63.12 . . 0 "[ . 1 .]"
66 . 2 20 ILE C 2 21 LYS N 2 21 LYS CA 2 21 LYS C -71.30 -44.10 -51.55 -54.61 -45.33 . . 0 "[ . 1 .]"
67 . 2 21 LYS C 2 22 ASN N 2 22 ASN CA 2 22 ASN C -81.20 -45.20 -68.45 -68.48 -69.21 . . 0 "[ . 1 .]"
68 . 2 22 ASN C 2 23 ARG N 2 23 ARG CA 2 23 ARG C -81.00 -40.00 -56.33 -55.00 -55.70 . . 0 "[ . 1 .]"
69 . 2 23 ARG C 2 24 PHE N 2 24 PHE CA 2 24 PHE C -143.80 -30.00 -100.04 -105.09 -95.54 . . 0 "[ . 1 .]"
70 . 2 24 PHE C 2 25 GLN N 2 25 GLN CA 2 25 GLN C -95.50 -30.50 -49.70 -51.98 -47.60 . . 0 "[ . 1 .]"
71 . 2 26 GLY C 2 27 GLN N 2 27 GLN CA 2 27 GLN C 172.10 -58.50 -118.28 -119.92 -128.15 . . 0 "[ . 1 .]"
72 . 2 28 PRO C 2 29 ASP N 2 29 ASP CA 2 29 ASP C -75.60 -50.00 -69.10 -68.78 -69.17 . . 0 "[ . 1 .]"
73 . 2 29 ASP C 2 30 ILE N 2 30 ILE CA 2 30 ILE C -89.10 -43.30 -71.01 -73.12 -67.27 . . 0 "[ . 1 .]"
74 . 2 30 ILE C 2 31 TYR N 2 31 TYR CA 2 31 TYR C -68.50 -47.30 -61.12 -64.23 -58.23 . . 0 "[ . 1 .]"
75 . 2 31 TYR C 2 32 LYS N 2 32 LYS CA 2 32 LYS C -81.00 -45.80 -62.23 -61.67 -61.98 . . 0 "[ . 1 .]"
76 . 2 32 LYS C 2 33 ALA N 2 33 ALA CA 2 33 ALA C -77.20 -51.20 -57.63 -58.38 -54.40 . . 0 "[ . 1 .]"
77 . 2 33 ALA C 2 34 PHE N 2 34 PHE CA 2 34 PHE C -81.50 -46.50 -50.45 -51.60 -48.79 . . 0 "[ . 1 .]"
78 . 2 34 PHE C 2 35 LEU N 2 35 LEU CA 2 35 LEU C -75.90 -42.30 -60.29 -60.82 -58.93 . . 0 "[ . 1 .]"
79 . 2 35 LEU C 2 36 GLU N 2 36 GLU CA 2 36 GLU C -79.30 -45.90 -58.34 -60.95 -56.03 . . 0 "[ . 1 .]"
80 . 2 36 GLU C 2 37 ILE N 2 37 ILE CA 2 37 ILE C -73.70 -51.30 -58.86 -60.73 -58.59 . . 0 "[ . 1 .]"
81 . 2 37 ILE C 2 38 LEU N 2 38 LEU CA 2 38 LEU C -77.00 -47.20 -63.04 -63.38 -62.76 . . 0 "[ . 1 .]"
82 . 2 38 LEU C 2 39 HIS N 2 39 HIS CA 2 39 HIS C -77.90 -47.30 -52.69 -54.20 -55.44 . . 0 "[ . 1 .]"
83 . 2 39 HIS C 2 40 THR N 2 40 THR CA 2 40 THR C -80.30 -50.30 -60.47 -60.41 -60.46 . . 0 "[ . 1 .]"
84 . 2 40 THR C 2 41 TYR N 2 41 TYR CA 2 41 TYR C -72.10 -45.70 -56.79 -53.47 -56.35 . . 0 "[ . 1 .]"
85 . 2 41 TYR C 2 42 GLN N 2 42 GLN CA 2 42 GLN C -79.00 -47.40 -52.87 -57.84 -58.12 . . 0 "[ . 1 .]"
86 . 2 42 GLN C 2 43 LYS N 2 43 LYS CA 2 43 LYS C -79.00 -46.20 -59.08 -58.61 -61.36 . . 0 "[ . 1 .]"
87 . 2 43 LYS C 2 44 GLU N 2 44 GLU CA 2 44 GLU C -80.60 -50.80 -59.72 -72.98 -50.78 0.02 4 0 "[ . 1 .]"
88 . 2 44 GLU C 2 45 GLN N 2 45 GLN CA 2 45 GLN C -79.70 -45.30 -61.34 -60.80 -62.86 . . 0 "[ . 1 .]"
89 . 2 45 GLN C 2 46 ARG N 2 46 ARG CA 2 46 ARG C -82.60 -43.60 -64.10 -67.50 -62.45 . . 0 "[ . 1 .]"
90 . 2 46 ARG C 2 47 ASN N 2 47 ASN CA 2 47 ASN C -82.20 -46.80 -56.37 -55.53 -55.61 . . 0 "[ . 1 .]"
91 . 2 47 ASN C 2 48 ALA N 2 48 ALA CA 2 48 ALA C -81.50 -41.50 -55.13 -54.97 -55.00 . . 0 "[ . 1 .]"
92 . 2 48 ALA C 2 49 LYS N 2 49 LYS CA 2 49 LYS C -87.10 -34.50 -67.61 -71.46 -65.83 . . 0 "[ . 1 .]"
93 . 2 49 LYS C 2 50 GLU N 2 50 GLU CA 2 50 GLU C -97.40 -33.40 -57.92 -57.28 -61.50 . . 0 "[ . 1 .]"
94 . 2 50 GLU C 2 51 ALA N 2 51 ALA CA 2 51 ALA C -120.20 -63.40 -69.08 -81.61 -62.83 0.57 6 0 "[ . 1 .]"
95 . 2 58 ALA C 2 59 LEU N 2 59 LEU CA 2 59 LEU C 172.00 -38.60 -127.46 -157.58 -78.63 . . 0 "[ . 1 .]"
96 . 2 59 LEU C 2 60 THR N 2 60 THR CA 2 60 THR C -158.50 -42.70 -154.03 -155.23 -150.55 . . 0 "[ . 1 .]"
97 . 2 60 THR C 2 61 GLU N 2 61 GLU CA 2 61 GLU C -74.00 -42.20 -54.80 -55.06 -53.46 . . 0 "[ . 1 .]"
98 . 2 61 GLU C 2 62 GLN N 2 62 GLN CA 2 62 GLN C -80.30 -41.70 -62.95 -62.92 -62.97 . . 0 "[ . 1 .]"
99 . 2 62 GLN C 2 63 GLU N 2 63 GLU CA 2 63 GLU C -74.00 -55.40 -71.04 -70.92 -70.97 0.14 9 0 "[ . 1 .]"
100 . 2 63 GLU C 2 64 VAL N 2 64 VAL CA 2 64 VAL C -77.00 -52.40 -62.70 -65.11 -58.96 . . 0 "[ . 1 .]"
101 . 2 64 VAL C 2 65 TYR N 2 65 TYR CA 2 65 TYR C -71.20 -45.20 -60.01 -61.84 -56.69 . . 0 "[ . 1 .]"
102 . 2 65 TYR C 2 66 ALA N 2 66 ALA CA 2 66 ALA C -73.00 -43.20 -61.61 -62.73 -58.23 . . 0 "[ . 1 .]"
103 . 2 66 ALA C 2 67 GLN N 2 67 GLN CA 2 67 GLN C -80.80 -50.20 -65.47 -65.64 -65.10 . . 0 "[ . 1 .]"
104 . 2 67 GLN C 2 68 VAL N 2 68 VAL CA 2 68 VAL C -77.00 -55.60 -65.83 -65.16 -65.17 . . 0 "[ . 1 .]"
105 . 2 68 VAL C 2 69 ALA N 2 69 ALA CA 2 69 ALA C -71.50 -47.30 -55.07 -55.24 -54.89 . . 0 "[ . 1 .]"
106 . 2 69 ALA C 2 70 ARG N 2 70 ARG CA 2 70 ARG C -90.50 -35.90 -69.78 -71.45 -71.48 . . 0 "[ . 1 .]"
107 . 2 70 ARG C 2 71 LEU N 2 71 LEU CA 2 71 LEU C -94.40 -37.60 -64.93 -66.35 -66.60 . . 0 "[ . 1 .]"
108 . 2 75 GLN C 2 76 GLU N 2 76 GLU CA 2 76 GLU C -76.50 -39.30 -51.56 -51.50 -51.53 . . 0 "[ . 1 .]"
109 . 2 76 GLU C 2 77 ASP N 2 77 ASP CA 2 77 ASP C -82.70 -42.70 -63.84 -64.93 -62.08 . . 0 "[ . 1 .]"
110 . 2 77 ASP C 2 78 LEU N 2 78 LEU CA 2 78 LEU C -91.80 -37.20 -53.86 -53.84 -53.85 . . 0 "[ . 1 .]"
111 . 2 78 LEU C 2 79 LEU N 2 79 LEU CA 2 79 LEU C -78.00 -50.60 -64.73 -63.51 -63.51 . . 0 "[ . 1 .]"
112 . 2 79 LEU C 2 80 SER N 2 80 SER CA 2 80 SER C -80.80 -48.80 -54.56 -57.43 -50.12 . . 0 "[ . 1 .]"
113 . 2 80 SER C 2 81 GLU N 2 81 GLU CA 2 81 GLU C -75.40 -56.80 -64.07 -64.43 -60.46 . . 0 "[ . 1 .]"
114 . 2 81 GLU C 2 82 PHE N 2 82 PHE CA 2 82 PHE C -76.60 -48.40 -53.47 -53.88 -53.88 . . 0 "[ . 1 .]"
115 . 2 82 PHE C 2 83 GLY N 2 83 GLY CA 2 83 GLY C -110.90 -30.10 -56.97 -71.09 -49.01 . . 0 "[ . 1 .]"
116 . 2 8 VAL N 2 8 VAL CA 2 8 VAL C 2 9 GLU N -70.10 -17.90 -41.60 -37.54 -39.51 . . 0 "[ . 1 .]"
117 . 2 9 GLU N 2 9 GLU CA 2 9 GLU C 2 10 PHE N -56.20 -23.80 -39.80 -44.53 -49.79 0.65 11 0 "[ . 1 .]"
118 . 2 10 PHE N 2 10 PHE CA 2 10 PHE C 2 11 ASN N -65.50 -19.10 -52.64 -53.65 -55.55 . . 0 "[ . 1 .]"
119 . 2 11 ASN N 2 11 ASN CA 2 11 ASN C 2 12 HIS N -52.20 -30.80 -32.28 -31.93 -33.40 1.16 14 0 "[ . 1 .]"
120 . 2 12 HIS N 2 12 HIS CA 2 12 HIS C 2 13 ALA N -66.00 -23.40 -55.71 -56.49 -56.74 . . 0 "[ . 1 .]"
121 . 2 13 ALA N 2 13 ALA CA 2 13 ALA C 2 14 ILE N -58.20 -28.60 -41.65 -46.76 -34.15 . . 0 "[ . 1 .]"
122 . 2 14 ILE N 2 14 ILE CA 2 14 ILE C 2 15 ASN N -67.20 -22.80 -62.75 -62.04 -62.33 . . 0 "[ . 1 .]"
123 . 2 15 ASN N 2 15 ASN CA 2 15 ASN C 2 16 TYR N -64.00 -24.20 -28.90 -29.13 -29.61 . . 0 "[ . 1 .]"
124 . 2 16 TYR N 2 16 TYR CA 2 16 TYR C 2 17 VAL N -55.40 -27.80 -44.57 -48.22 -41.43 . . 0 "[ . 1 .]"
125 . 2 17 VAL N 2 17 VAL CA 2 17 VAL C 2 18 ASN N -63.20 -27.60 -36.86 -40.73 -33.81 . . 0 "[ . 1 .]"
126 . 2 18 ASN N 2 18 ASN CA 2 18 ASN C 2 19 LYS N -54.90 -28.10 -43.67 -40.85 -42.32 . . 0 "[ . 1 .]"
127 . 2 19 LYS N 2 19 LYS CA 2 19 LYS C 2 20 ILE N -52.20 -29.60 -51.71 -53.59 -47.77 1.39 15 0 "[ . 1 .]"
128 . 2 20 ILE N 2 20 ILE CA 2 20 ILE C 2 21 LYS N -55.30 -34.30 -55.62 -55.34 -55.64 3.38 12 0 "[ . 1 .]"
129 . 2 21 LYS N 2 21 LYS CA 2 21 LYS C 2 22 ASN N -58.90 -31.90 -49.14 -56.40 -45.42 . . 0 "[ . 1 .]"
130 . 2 22 ASN N 2 22 ASN CA 2 22 ASN C 2 23 ARG N -68.00 -3.60 -50.87 -47.54 -49.16 . . 0 "[ . 1 .]"
131 . 2 23 ARG N 2 23 ARG CA 2 23 ARG C 2 24 PHE N -60.90 -8.10 -44.26 -55.60 -37.66 . . 0 "[ . 1 .]"
132 . 2 24 PHE N 2 24 PHE CA 2 24 PHE C 2 25 GLN N -70.80 47.60 35.96 41.22 39.85 . . 0 "[ . 1 .]"
133 . 2 25 GLN N 2 25 GLN CA 2 25 GLN C 2 26 GLY N -68.60 1.80 -37.14 -38.48 -51.94 . . 0 "[ . 1 .]"
134 . 2 27 GLN N 2 27 GLN CA 2 27 GLN C 2 28 PRO N 42.10 -145.90 75.52 75.65 69.58 . . 0 "[ . 1 .]"
135 . 2 29 ASP N 2 29 ASP CA 2 29 ASP C 2 30 ILE N -64.50 -26.70 -34.30 -33.58 -35.24 . . 0 "[ . 1 .]"
136 . 2 30 ILE N 2 30 ILE CA 2 30 ILE C 2 31 TYR N -61.10 -19.10 -51.63 -55.26 -47.92 . . 0 "[ . 1 .]"
137 . 2 31 TYR N 2 31 TYR CA 2 31 TYR C 2 32 LYS N -58.80 -23.20 -48.94 -48.13 -48.80 . . 0 "[ . 1 .]"
138 . 2 32 LYS N 2 32 LYS CA 2 32 LYS C 2 33 ALA N -61.60 -21.40 -48.83 -53.30 -43.96 . . 0 "[ . 1 .]"
139 . 2 33 ALA N 2 33 ALA CA 2 33 ALA C 2 34 PHE N -59.80 -22.20 -52.70 -52.16 -52.31 . . 0 "[ . 1 .]"
140 . 2 34 PHE N 2 34 PHE CA 2 34 PHE C 2 35 LEU N -65.30 -22.30 -49.38 -48.88 -49.71 . . 0 "[ . 1 .]"
141 . 2 35 LEU N 2 35 LEU CA 2 35 LEU C 2 36 GLU N -66.90 -21.10 -50.67 -54.56 -45.99 . . 0 "[ . 1 .]"
142 . 2 36 GLU N 2 36 GLU CA 2 36 GLU C 2 37 ILE N -58.30 -21.90 -33.66 -33.56 -33.87 . . 0 "[ . 1 .]"
143 . 2 37 ILE N 2 37 ILE CA 2 37 ILE C 2 38 LEU N -57.40 -32.00 -51.89 -52.85 -53.28 . . 0 "[ . 1 .]"
144 . 2 38 LEU N 2 38 LEU CA 2 38 LEU C 2 39 HIS N -55.20 -29.20 -47.91 -50.07 -50.69 . . 0 "[ . 1 .]"
145 . 2 39 HIS N 2 39 HIS CA 2 39 HIS C 2 40 THR N -70.70 -21.70 -41.82 -51.98 -34.00 . . 0 "[ . 1 .]"
146 . 2 40 THR N 2 40 THR CA 2 40 THR C 2 41 TYR N -55.30 -28.70 -42.48 -45.70 -46.85 . . 0 "[ . 1 .]"
147 . 2 41 TYR N 2 41 TYR CA 2 41 TYR C 2 42 GLN N -61.50 -26.30 -59.45 -54.00 -55.07 1.94 11 0 "[ . 1 .]"
148 . 2 42 GLN N 2 42 GLN CA 2 42 GLN C 2 43 LYS N -53.00 -28.60 -42.49 -50.00 -34.15 . . 0 "[ . 1 .]"
149 . 2 43 LYS N 2 43 LYS CA 2 43 LYS C 2 44 GLU N -53.10 -28.10 -50.01 -43.56 -46.04 0.63 13 0 "[ . 1 .]"
150 . 2 44 GLU N 2 44 GLU CA 2 44 GLU C 2 45 GLN N -59.80 -23.20 -36.07 -45.27 -26.08 . . 0 "[ . 1 .]"
151 . 2 45 GLN N 2 45 GLN CA 2 45 GLN C 2 46 ARG N -65.00 -26.00 -52.47 -58.28 -43.89 . . 0 "[ . 1 .]"
152 . 2 46 ARG N 2 46 ARG CA 2 46 ARG C 2 47 ASN N -54.70 -24.50 -39.21 -39.67 -40.80 . . 0 "[ . 1 .]"
153 . 2 47 ASN N 2 47 ASN CA 2 47 ASN C 2 48 ALA N -61.40 -17.60 -50.82 -57.99 -38.36 . . 0 "[ . 1 .]"
154 . 2 48 ALA N 2 48 ALA CA 2 48 ALA C 2 49 LYS N -67.90 -14.70 -40.86 -37.04 -38.11 . . 0 "[ . 1 .]"
155 . 2 49 LYS N 2 49 LYS CA 2 49 LYS C 2 50 GLU N -72.00 -7.60 -45.70 -44.37 -44.76 . . 0 "[ . 1 .]"
156 . 2 50 GLU N 2 50 GLU CA 2 50 GLU C 2 51 ALA N -71.50 4.30 -40.41 -62.85 -16.14 . . 0 "[ . 1 .]"
157 . 2 51 ALA N 2 51 ALA CA 2 51 ALA C 2 52 GLY N -42.80 47.20 -40.64 -43.97 -16.61 1.17 10 0 "[ . 1 .]"
158 . 2 59 LEU N 2 59 LEU CA 2 59 LEU C 2 60 THR N 75.10 -154.50 163.10 151.11 -177.42 . . 0 "[ . 1 .]"
159 . 2 60 THR N 2 60 THR CA 2 60 THR C 2 61 GLU N 124.80 -157.20 -178.63 -176.87 -178.38 . . 0 "[ . 1 .]"
160 . 2 61 GLU N 2 61 GLU CA 2 61 GLU C 2 62 GLN N -61.00 -20.00 -25.45 -29.14 -23.03 . . 0 "[ . 1 .]"
161 . 2 62 GLN N 2 62 GLN CA 2 62 GLN C 2 63 GLU N -54.20 -28.60 -45.09 -51.36 -42.21 . . 0 "[ . 1 .]"
162 . 2 63 GLU N 2 63 GLU CA 2 63 GLU C 2 64 VAL N -58.70 -25.10 -37.48 -36.37 -36.92 . . 0 "[ . 1 .]"
163 . 2 64 VAL N 2 64 VAL CA 2 64 VAL C 2 65 TYR N -57.80 -32.00 -61.39 -63.44 -58.73 5.64 6 2 "[ -+ 1 .]"
164 . 2 65 TYR N 2 65 TYR CA 2 65 TYR C 2 66 ALA N -66.10 -25.70 -36.37 -41.38 -32.68 . . 0 "[ . 1 .]"
165 . 2 66 ALA N 2 66 ALA CA 2 66 ALA C 2 67 GLN N -64.10 -18.90 -54.42 -57.88 -59.53 . . 0 "[ . 1 .]"
166 . 2 67 GLN N 2 67 GLN CA 2 67 GLN C 2 68 VAL N -51.90 -31.70 -39.86 -44.85 -35.13 . . 0 "[ . 1 .]"
167 . 2 68 VAL N 2 68 VAL CA 2 68 VAL C 2 69 ALA N -58.50 -29.90 -40.73 -44.08 -45.02 . . 0 "[ . 1 .]"
168 . 2 69 ALA N 2 69 ALA CA 2 69 ALA C 2 70 ARG N -62.60 -20.60 -34.88 -39.34 -28.83 . . 0 "[ . 1 .]"
169 . 2 70 ARG N 2 70 ARG CA 2 70 ARG C 2 71 LEU N -61.30 -23.70 -37.13 -36.15 -38.10 . . 0 "[ . 1 .]"
170 . 2 71 LEU N 2 71 LEU CA 2 71 LEU C 2 72 PHE N -69.50 -6.50 -47.42 -54.04 -41.40 . . 0 "[ . 1 .]"
171 . 2 76 GLU N 2 76 GLU CA 2 76 GLU C 2 77 ASP N -59.70 -20.70 -22.52 -25.29 -20.35 0.35 13 0 "[ . 1 .]"
172 . 2 77 ASP N 2 77 ASP CA 2 77 ASP C 2 78 LEU N -65.30 -13.50 -54.74 -57.82 -51.48 . . 0 "[ . 1 .]"
173 . 2 78 LEU N 2 78 LEU CA 2 78 LEU C 2 79 LEU N -61.30 -21.70 -36.55 -34.76 -36.10 . . 0 "[ . 1 .]"
174 . 2 79 LEU N 2 79 LEU CA 2 79 LEU C 2 80 SER N -51.10 -26.90 -40.31 -46.17 -28.35 . . 0 "[ . 1 .]"
175 . 2 80 SER N 2 80 SER CA 2 80 SER C 2 81 GLU N -54.60 -25.20 -43.62 -42.30 -42.63 . . 0 "[ . 1 .]"
176 . 2 81 GLU N 2 81 GLU CA 2 81 GLU C 2 82 PHE N -62.10 -24.70 -41.59 -47.51 -33.93 . . 0 "[ . 1 .]"
177 . 2 82 PHE N 2 82 PHE CA 2 82 PHE C 2 83 GLY N -62.60 -16.40 -53.47 -63.06 -47.58 0.46 4 0 "[ . 1 .]"
178 . 2 83 GLY N 2 83 GLY CA 2 83 GLY C 2 84 GLN N -81.50 8.50 -17.55 -14.88 -21.16 . . 0 "[ . 1 .]"
179 . 1 4 ILE C 1 5 GLN N 1 5 GLN CA 1 5 GLN C -79.50 -42.90 -56.03 -55.33 -57.66 . . 0 "[ . 1 .]"
180 . 1 5 GLN C 1 6 MET N 1 6 MET CA 1 6 MET C -90.30 -36.90 -56.54 -67.45 -43.79 . . 0 "[ . 1 .]"
181 . 1 6 MET C 1 7 LEU N 1 7 LEU CA 1 7 LEU C -80.70 -47.70 -77.73 -80.28 -80.71 0.60 9 0 "[ . 1 .]"
182 . 1 7 LEU C 1 8 LEU N 1 8 LEU CA 1 8 LEU C -97.90 -37.70 -52.62 -73.41 -42.22 . . 0 "[ . 1 .]"
183 . 1 8 LEU C 1 9 GLU N 1 9 GLU CA 1 9 GLU C -78.70 -47.30 -52.92 -63.55 -46.98 0.32 15 0 "[ . 1 .]"
184 . 1 9 GLU C 1 10 ALA N 1 10 ALA CA 1 10 ALA C -91.80 -37.60 -57.40 -51.71 -52.60 . . 0 "[ . 1 .]"
185 . 1 10 ALA C 1 11 ALA N 1 11 ALA CA 1 11 ALA C -91.50 -35.90 -42.60 -47.47 -36.95 . . 0 "[ . 1 .]"
186 . 1 11 ALA C 1 12 ASP N 1 12 ASP CA 1 12 ASP C -108.80 -24.20 -49.36 -58.53 -44.26 . . 0 "[ . 1 .]"
187 . 1 12 ASP C 1 13 TYR N 1 13 TYR CA 1 13 TYR C -90.50 -48.70 -77.08 -89.96 -67.71 . . 0 "[ . 1 .]"
188 . 1 13 TYR C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -91.90 -36.70 -59.44 -60.08 -63.36 . . 0 "[ . 1 .]"
189 . 1 5 GLN N 1 5 GLN CA 1 5 GLN C 1 6 MET N -64.50 -20.50 -37.22 -34.37 -35.60 . . 0 "[ . 1 .]"
190 . 1 6 MET N 1 6 MET CA 1 6 MET C 1 7 LEU N -67.10 -10.90 -43.52 -51.89 -35.55 . . 0 "[ . 1 .]"
191 . 1 7 LEU N 1 7 LEU CA 1 7 LEU C 1 8 LEU N -62.70 -16.70 -46.15 -33.32 -39.80 . . 0 "[ . 1 .]"
192 . 1 8 LEU N 1 8 LEU CA 1 8 LEU C 1 9 GLU N -60.30 -22.30 -53.08 -43.82 -47.48 0.13 3 0 "[ . 1 .]"
193 . 1 9 GLU N 1 9 GLU CA 1 9 GLU C 1 10 ALA N -59.80 -27.40 -35.51 -30.60 -31.98 . . 0 "[ . 1 .]"
194 . 1 10 ALA N 1 10 ALA CA 1 10 ALA C 1 11 ALA N -81.90 2.50 -56.22 -54.19 -56.45 . . 0 "[ . 1 .]"
195 . 1 11 ALA N 1 11 ALA CA 1 11 ALA C 1 12 ASP N -72.10 -12.90 -50.78 -47.66 -48.88 . . 0 "[ . 1 .]"
196 . 1 12 ASP N 1 12 ASP CA 1 12 ASP C 1 13 TYR N -74.70 6.50 -42.58 -49.98 -34.01 . . 0 "[ . 1 .]"
197 . 1 13 TYR N 1 13 TYR CA 1 13 TYR C 1 14 LEU N -59.40 -22.60 -44.67 -60.42 -37.21 1.02 2 0 "[ . 1 .]"
198 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 GLU N -60.50 -23.50 -33.73 -23.45 -28.46 0.05 2 0 "[ . 1 .]"
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