NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
604259 |
2nd9   |
26052 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2nd9
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 202
_TA_constraint_stats_list.Viol_count 291
_TA_constraint_stats_list.Viol_total 29806.73
_TA_constraint_stats_list.Viol_max 33.10
_TA_constraint_stats_list.Viol_rms 2.72
_TA_constraint_stats_list.Viol_average_all_restraints 0.37
_TA_constraint_stats_list.Viol_average_violations_only 5.12
_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 ALA C 1 7 ARG N 1 7 ARG CA 1 7 ARG C -99.40 -39.40 -74.99 -68.43 -76.89 1.11 6 0 "[ . 1 . 2]"
2 . 1 7 ARG N 1 7 ARG CA 1 7 ARG C 1 8 SER N -58.90 1.10 -26.95 -58.44 2.53 1.43 19 0 "[ . 1 . 2]"
3 . 1 21 ASN C 1 22 GLN N 1 22 GLN CA 1 22 GLN C -90.20 -30.20 -76.07 -77.70 -78.64 . . 0 "[ . 1 . 2]"
4 . 1 22 GLN N 1 22 GLN CA 1 22 GLN C 1 23 SER N -62.10 -2.10 -13.06 -15.00 -15.53 . . 0 "[ . 1 . 2]"
5 . 1 22 GLN C 1 23 SER N 1 23 SER CA 1 23 SER C -88.80 -28.80 -81.08 -83.82 -78.01 . . 0 "[ . 1 . 2]"
6 . 1 23 SER N 1 23 SER CA 1 23 SER C 1 24 ASP N -69.30 -9.30 -10.43 -9.93 -10.27 1.86 16 0 "[ . 1 . 2]"
7 . 1 23 SER C 1 24 ASP N 1 24 ASP CA 1 24 ASP C -96.90 -36.90 -97.57 -98.24 -98.47 2.31 9 0 "[ . 1 . 2]"
8 . 1 24 ASP N 1 24 ASP CA 1 24 ASP C 1 25 VAL N -67.70 -7.70 -47.16 -59.82 -43.10 . . 0 "[ . 1 . 2]"
9 . 1 24 ASP C 1 25 VAL N 1 25 VAL CA 1 25 VAL C -97.00 -37.00 -86.25 -88.55 -89.51 . . 0 "[ . 1 . 2]"
10 . 1 25 VAL N 1 25 VAL CA 1 25 VAL C 1 26 ASP N -74.00 -14.00 -50.70 -53.93 -54.21 . . 0 "[ . 1 . 2]"
11 . 1 25 VAL C 1 26 ASP N 1 26 ASP CA 1 26 ASP C -92.40 -32.40 -55.30 -53.55 -54.00 . . 0 "[ . 1 . 2]"
12 . 1 26 ASP N 1 26 ASP CA 1 26 ASP C 1 27 ASP N -70.90 -10.90 -52.39 -51.72 -52.31 . . 0 "[ . 1 . 2]"
13 . 1 26 ASP C 1 27 ASP N 1 27 ASP CA 1 27 ASP C -93.30 -33.30 -65.87 -64.64 -64.85 . . 0 "[ . 1 . 2]"
14 . 1 27 ASP N 1 27 ASP CA 1 27 ASP C 1 28 PHE N -70.60 -10.60 -38.09 -42.02 -34.77 . . 0 "[ . 1 . 2]"
15 . 1 27 ASP C 1 28 PHE N 1 28 PHE CA 1 28 PHE C -93.70 -33.70 -53.73 -55.26 -51.98 . . 0 "[ . 1 . 2]"
16 . 1 28 PHE N 1 28 PHE CA 1 28 PHE C 1 29 ASN N -73.30 -13.30 -63.62 -64.91 -61.88 . . 0 "[ . 1 . 2]"
17 . 1 28 PHE C 1 29 ASN N 1 29 ASN CA 1 29 ASN C -93.90 -33.90 -60.49 -62.99 -56.91 . . 0 "[ . 1 . 2]"
18 . 1 29 ASN N 1 29 ASN CA 1 29 ASN C 1 30 THR N -69.90 -9.90 -28.02 -33.12 -22.99 . . 0 "[ . 1 . 2]"
19 . 1 29 ASN C 1 30 THR N 1 30 THR CA 1 30 THR C -98.00 -38.00 -79.66 -78.95 -79.11 . . 0 "[ . 1 . 2]"
20 . 1 30 THR N 1 30 THR CA 1 30 THR C 1 31 LEU N -74.30 -14.30 -46.90 -47.74 -48.28 . . 0 "[ . 1 . 2]"
21 . 1 30 THR C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -92.50 -32.50 -69.07 -71.06 -66.77 . . 0 "[ . 1 . 2]"
22 . 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 TYR N -72.50 -12.50 -32.94 -31.68 -31.92 . . 0 "[ . 1 . 2]"
23 . 1 31 LEU C 1 32 TYR N 1 32 TYR CA 1 32 TYR C -94.90 -34.90 -63.55 -65.33 -57.01 . . 0 "[ . 1 . 2]"
24 . 1 32 TYR N 1 32 TYR CA 1 32 TYR C 1 33 ASP N -73.80 -13.80 -47.69 -47.37 -47.74 . . 0 "[ . 1 . 2]"
25 . 1 32 TYR C 1 33 ASP N 1 33 ASP CA 1 33 ASP C -89.90 -29.90 -64.13 -66.38 -59.58 . . 0 "[ . 1 . 2]"
26 . 1 33 ASP N 1 33 ASP CA 1 33 ASP C 1 34 ALA N -71.20 -11.20 -26.00 -33.67 -22.00 . . 0 "[ . 1 . 2]"
27 . 1 33 ASP C 1 34 ALA N 1 34 ALA CA 1 34 ALA C -96.10 -36.10 -75.75 -72.25 -73.94 . . 0 "[ . 1 . 2]"
28 . 1 34 ALA N 1 34 ALA CA 1 34 ALA C 1 35 PHE N -57.60 2.40 -33.30 -32.99 -33.36 . . 0 "[ . 1 . 2]"
29 . 1 34 ALA C 1 35 PHE N 1 35 PHE CA 1 35 PHE C -97.80 -37.80 -61.79 -63.71 -59.94 . . 0 "[ . 1 . 2]"
30 . 1 35 PHE N 1 35 PHE CA 1 35 PHE C 1 36 TYR N -56.30 3.70 -21.57 -21.50 -21.77 . . 0 "[ . 1 . 2]"
31 . 1 36 TYR C 1 37 THR N 1 37 THR CA 1 37 THR C -95.70 -35.70 -62.32 -61.00 -61.72 . . 0 "[ . 1 . 2]"
32 . 1 37 THR N 1 37 THR CA 1 37 THR C 1 38 ASN N -49.20 10.80 -24.52 -28.23 -20.90 . . 0 "[ . 1 . 2]"
33 . 1 39 SER C 1 40 ASN N 1 40 ASN CA 1 40 ASN C -125.40 -65.40 -74.09 -79.06 -68.33 . . 0 "[ . 1 . 2]"
34 . 1 40 ASN N 1 40 ASN CA 1 40 ASN C 1 41 LYS N -17.60 42.40 -17.09 -19.78 -12.51 2.18 5 0 "[ . 1 . 2]"
35 . 1 40 ASN C 1 41 LYS N 1 41 LYS CA 1 41 LYS C 29.00 89.00 54.79 56.73 56.23 . . 0 "[ . 1 . 2]"
36 . 1 41 LYS N 1 41 LYS CA 1 41 LYS C 1 42 THR N 1.40 61.40 41.87 39.84 44.60 . . 0 "[ . 1 . 2]"
37 . 1 43 ALA C 1 44 LEU N 1 44 LEU CA 1 44 LEU C -129.20 -69.20 -125.60 -128.63 -122.29 . . 0 "[ . 1 . 2]"
38 . 1 44 LEU N 1 44 LEU CA 1 44 LEU C 1 45 LYS N 108.90 168.90 139.94 138.74 137.65 . . 0 "[ . 1 . 2]"
39 . 1 44 LEU C 1 45 LYS N 1 45 LYS CA 1 45 LYS C -114.50 -54.50 -87.61 -90.92 -81.31 . . 0 "[ . 1 . 2]"
40 . 1 45 LYS N 1 45 LYS CA 1 45 LYS C 1 46 ASN N 88.70 148.70 131.91 121.01 137.37 . . 0 "[ . 1 . 2]"
41 . 1 45 LYS C 1 46 ASN N 1 46 ASN CA 1 46 ASN C -87.50 -27.50 -82.91 -83.99 -85.65 0.98 5 0 "[ . 1 . 2]"
42 . 1 46 ASN N 1 46 ASN CA 1 46 ASN C 1 47 SER N -60.10 -0.10 -24.00 -23.11 -23.97 . . 0 "[ . 1 . 2]"
43 . 1 46 ASN C 1 47 SER N 1 47 SER CA 1 47 SER C -101.20 -41.20 -67.57 -75.75 -62.80 . . 0 "[ . 1 . 2]"
44 . 1 47 SER N 1 47 SER CA 1 47 SER C 1 48 GLN N -50.60 9.40 -26.58 -31.22 -16.17 . . 0 "[ . 1 . 2]"
45 . 1 47 SER C 1 48 GLN N 1 48 GLN CA 1 48 GLN C -112.80 -52.80 -73.51 -72.08 -72.75 . . 0 "[ . 1 . 2]"
46 . 1 48 GLN N 1 48 GLN CA 1 48 GLN C 1 49 PHE N -49.70 10.30 -23.61 -23.90 -24.15 . . 0 "[ . 1 . 2]"
47 . 1 48 GLN C 1 49 PHE N 1 49 PHE CA 1 49 PHE C -97.40 -37.40 -56.05 -58.66 -54.49 . . 0 "[ . 1 . 2]"
48 . 1 49 PHE N 1 49 PHE CA 1 49 PHE C 1 50 ASP N -61.60 -1.60 -24.15 -25.66 -26.28 . . 0 "[ . 1 . 2]"
49 . 1 49 PHE C 1 50 ASP N 1 50 ASP CA 1 50 ASP C -94.60 -34.60 -72.06 -78.85 -65.56 . . 0 "[ . 1 . 2]"
50 . 1 50 ASP N 1 50 ASP CA 1 50 ASP C 1 51 LYS N -62.50 -2.50 -23.90 -21.49 -22.18 . . 0 "[ . 1 . 2]"
51 . 1 50 ASP C 1 51 LYS N 1 51 LYS CA 1 51 LYS C -112.40 -52.40 -97.11 -100.79 -92.93 . . 0 "[ . 1 . 2]"
52 . 1 51 LYS N 1 51 LYS CA 1 51 LYS C 1 52 LEU N -53.20 6.80 8.92 7.08 10.53 3.73 10 0 "[ . 1 . 2]"
53 . 1 51 LYS C 1 52 LEU N 1 52 LEU CA 1 52 LEU C -88.50 -28.50 -66.43 -65.74 -66.02 . . 0 "[ . 1 . 2]"
54 . 1 52 LEU N 1 52 LEU CA 1 52 LEU C 1 53 SER N -73.90 -13.90 -39.09 -40.56 -36.87 . . 0 "[ . 1 . 2]"
55 . 1 52 LEU C 1 53 SER N 1 53 SER CA 1 53 SER C -92.90 -32.90 -68.91 -69.07 -69.50 . . 0 "[ . 1 . 2]"
56 . 1 53 SER N 1 53 SER CA 1 53 SER C 1 54 GLN N -68.00 -8.00 -20.51 -18.72 -20.01 . . 0 "[ . 1 . 2]"
57 . 1 53 SER C 1 54 GLN N 1 54 GLN CA 1 54 GLN C -93.90 -33.90 -80.12 -84.64 -77.63 . . 0 "[ . 1 . 2]"
58 . 1 54 GLN N 1 54 GLN CA 1 54 GLN C 1 55 LEU N -73.10 -13.10 -37.97 -37.77 -38.01 . . 0 "[ . 1 . 2]"
59 . 1 54 GLN C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -96.60 -36.60 -66.76 -66.12 -66.39 . . 0 "[ . 1 . 2]"
60 . 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 LYS N -70.30 -10.30 -27.41 -29.47 -25.28 . . 0 "[ . 1 . 2]"
61 . 1 55 LEU C 1 56 LYS N 1 56 LYS CA 1 56 LYS C -95.90 -35.90 -77.84 -76.45 -77.08 . . 0 "[ . 1 . 2]"
62 . 1 56 LYS N 1 56 LYS CA 1 56 LYS C 1 57 THR N -68.30 -8.30 -28.89 -33.28 -23.26 . . 0 "[ . 1 . 2]"
63 . 1 56 LYS C 1 57 THR N 1 57 THR CA 1 57 THR C -96.10 -36.10 -72.68 -72.96 -75.49 . . 0 "[ . 1 . 2]"
64 . 1 57 THR N 1 57 THR CA 1 57 THR C 1 58 LEU N -71.80 -11.80 -39.75 -39.21 -39.65 . . 0 "[ . 1 . 2]"
65 . 1 57 THR C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -93.30 -33.30 -72.39 -74.48 -69.52 . . 0 "[ . 1 . 2]"
66 . 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 LEU N -69.70 -9.70 -40.43 -42.69 -37.43 . . 0 "[ . 1 . 2]"
67 . 1 58 LEU C 1 59 LEU N 1 59 LEU CA 1 59 LEU C -93.10 -33.10 -62.08 -62.04 -62.23 . . 0 "[ . 1 . 2]"
68 . 1 59 LEU N 1 59 LEU CA 1 59 LEU C 1 60 ASP N -74.30 -14.30 -36.75 -37.42 -37.47 . . 0 "[ . 1 . 2]"
69 . 1 59 LEU C 1 60 ASP N 1 60 ASP CA 1 60 ASP C -95.00 -35.00 -63.08 -64.78 -58.42 . . 0 "[ . 1 . 2]"
70 . 1 60 ASP N 1 60 ASP CA 1 60 ASP C 1 61 LYS N -70.80 -10.80 -22.74 -20.09 -20.68 . . 0 "[ . 1 . 2]"
71 . 1 60 ASP C 1 61 LYS N 1 61 LYS CA 1 61 LYS C -95.60 -35.60 -82.12 -91.85 -77.58 . . 0 "[ . 1 . 2]"
72 . 1 61 LYS N 1 61 LYS CA 1 61 LYS C 1 62 LEU N -62.00 -2.00 -19.41 -19.20 -19.83 . . 0 "[ . 1 . 2]"
73 . 1 61 LYS C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -126.30 -66.30 -87.70 -92.65 -81.46 . . 0 "[ . 1 . 2]"
74 . 1 62 LEU N 1 62 LEU CA 1 62 LEU C 1 63 GLU N -27.20 32.80 -23.12 -24.89 -21.91 . . 0 "[ . 1 . 2]"
75 . 1 62 LEU C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -91.30 -31.30 -45.89 -45.73 -45.84 . . 0 "[ . 1 . 2]"
76 . 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 GLY N 104.00 164.00 129.11 123.99 134.67 . . 0 "[ . 1 . 2]"
77 . 1 63 GLU C 1 64 GLY N 1 64 GLY CA 1 64 GLY C 60.80 120.80 90.48 90.64 89.44 . . 0 "[ . 1 . 2]"
78 . 1 64 GLY N 1 64 GLY CA 1 64 GLY C 1 65 SER N -39.30 20.70 -12.92 -17.92 -7.14 . . 0 "[ . 1 . 2]"
79 . 1 64 GLY C 1 65 SER N 1 65 SER CA 1 65 SER C -107.90 -47.90 -109.54 -111.26 -108.19 3.36 3 0 "[ . 1 . 2]"
80 . 1 65 SER N 1 65 SER CA 1 65 SER C 1 66 ARG N 128.90 -171.10 165.93 157.01 -177.75 . . 0 "[ . 1 . 2]"
81 . 1 65 SER C 1 66 ARG N 1 66 ARG CA 1 66 ARG C -92.60 -32.60 -71.88 -66.51 -69.10 . . 0 "[ . 1 . 2]"
82 . 1 66 ARG N 1 66 ARG CA 1 66 ARG C 1 67 GLU N -64.10 -4.10 -29.01 -28.85 -29.28 . . 0 "[ . 1 . 2]"
83 . 1 66 ARG C 1 67 GLU N 1 67 GLU CA 1 67 GLU C -93.30 -33.30 -58.28 -61.20 -53.44 . . 0 "[ . 1 . 2]"
84 . 1 67 GLU N 1 67 GLU CA 1 67 GLU C 1 68 HIS N -71.50 -11.50 -37.29 -38.68 -35.29 . . 0 "[ . 1 . 2]"
85 . 1 67 GLU C 1 68 HIS N 1 68 HIS CA 1 68 HIS C -90.60 -30.60 -41.36 -41.56 -41.76 . . 0 "[ . 1 . 2]"
86 . 1 68 HIS N 1 68 HIS CA 1 68 HIS C 1 69 THR N -75.60 -15.60 -45.63 -46.93 -43.77 . . 0 "[ . 1 . 2]"
87 . 1 68 HIS C 1 69 THR N 1 69 THR CA 1 69 THR C -88.70 -28.70 -57.24 -56.27 -56.53 . . 0 "[ . 1 . 2]"
88 . 1 69 THR N 1 69 THR CA 1 69 THR C 1 70 LEU N -68.70 -8.70 -53.69 -54.75 -52.17 . . 0 "[ . 1 . 2]"
89 . 1 69 THR C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -93.60 -33.60 -65.46 -64.83 -65.10 . . 0 "[ . 1 . 2]"
90 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 ALA N -74.30 -14.30 -44.04 -44.03 -44.17 . . 0 "[ . 1 . 2]"
91 . 1 70 LEU C 1 71 ALA N 1 71 ALA CA 1 71 ALA C -95.00 -35.00 -82.03 -84.99 -80.71 . . 0 "[ . 1 . 2]"
92 . 1 71 ALA N 1 71 ALA CA 1 71 ALA C 1 72 LYS N -67.70 -7.70 -21.00 -21.22 -21.38 . . 0 "[ . 1 . 2]"
93 . 1 71 ALA C 1 72 LYS N 1 72 LYS CA 1 72 LYS C -90.20 -30.20 -76.26 -76.47 -76.59 . . 0 "[ . 1 . 2]"
94 . 1 72 LYS N 1 72 LYS CA 1 72 LYS C 1 73 SER N -74.30 -14.30 -35.01 -36.64 -34.09 . . 0 "[ . 1 . 2]"
95 . 1 72 LYS C 1 73 SER N 1 73 SER CA 1 73 SER C -95.50 -35.50 -76.02 -75.05 -75.19 . . 0 "[ . 1 . 2]"
96 . 1 73 SER N 1 73 SER CA 1 73 SER C 1 74 LYS N -68.90 -8.90 -17.07 -16.55 -16.80 . . 0 "[ . 1 . 2]"
97 . 1 73 SER C 1 74 LYS N 1 74 LYS CA 1 74 LYS C -94.70 -34.70 -84.74 -87.34 -82.87 . . 0 "[ . 1 . 2]"
98 . 1 74 LYS N 1 74 LYS CA 1 74 LYS C 1 75 TYR N -72.10 -12.10 -54.79 -54.99 -55.16 . . 0 "[ . 1 . 2]"
99 . 1 74 LYS C 1 75 TYR N 1 75 TYR CA 1 75 TYR C -94.50 -34.50 -51.65 -53.16 -49.95 . . 0 "[ . 1 . 2]"
100 . 1 75 TYR N 1 75 TYR CA 1 75 TYR C 1 76 ASP N -73.90 -13.90 -56.38 -57.36 -55.63 . . 0 "[ . 1 . 2]"
101 . 1 75 TYR C 1 76 ASP N 1 76 ASP CA 1 76 ASP C -89.40 -29.40 -64.77 -66.07 -66.30 . . 0 "[ . 1 . 2]"
102 . 1 76 ASP N 1 76 ASP CA 1 76 ASP C 1 77 SER N -73.50 -13.50 -32.71 -29.56 -30.37 . . 0 "[ . 1 . 2]"
103 . 1 76 ASP C 1 77 SER N 1 77 SER CA 1 77 SER C -97.50 -37.50 -65.01 -69.77 -62.11 . . 0 "[ . 1 . 2]"
104 . 1 77 SER N 1 77 SER CA 1 77 SER C 1 78 LEU N -65.00 -5.00 -56.00 -56.35 -56.47 . . 0 "[ . 1 . 2]"
105 . 1 77 SER C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -93.30 -33.30 -65.62 -64.23 -64.65 . . 0 "[ . 1 . 2]"
106 . 1 78 LEU N 1 78 LEU CA 1 78 LEU C 1 79 ALA N -75.30 -15.30 -37.16 -37.28 -37.34 . . 0 "[ . 1 . 2]"
107 . 1 78 LEU C 1 79 ALA N 1 79 ALA CA 1 79 ALA C -94.10 -34.10 -66.27 -66.63 -66.67 . . 0 "[ . 1 . 2]"
108 . 1 79 ALA N 1 79 ALA CA 1 79 ALA C 1 80 THR N -67.30 -7.30 -34.27 -32.29 -32.93 . . 0 "[ . 1 . 2]"
109 . 1 79 ALA C 1 80 THR N 1 80 THR CA 1 80 THR C -95.40 -35.40 -75.78 -79.59 -73.10 . . 0 "[ . 1 . 2]"
110 . 1 80 THR N 1 80 THR CA 1 80 THR C 1 81 GLN N -69.80 -9.80 -37.77 -39.15 -36.82 . . 0 "[ . 1 . 2]"
111 . 1 80 THR C 1 81 GLN N 1 81 GLN CA 1 81 GLN C -90.80 -30.80 -66.90 -67.74 -66.17 . . 0 "[ . 1 . 2]"
112 . 1 81 GLN N 1 81 GLN CA 1 81 GLN C 1 82 ILE N -76.80 -16.80 -40.01 -40.28 -40.45 . . 0 "[ . 1 . 2]"
113 . 1 81 GLN C 1 82 ILE N 1 82 ILE CA 1 82 ILE C -92.10 -32.10 -75.55 -74.95 -75.24 . . 0 "[ . 1 . 2]"
114 . 1 82 ILE N 1 82 ILE CA 1 82 ILE C 1 83 LYS N -69.40 -9.40 -47.93 -49.38 -46.87 . . 0 "[ . 1 . 2]"
115 . 1 82 ILE C 1 83 LYS N 1 83 LYS CA 1 83 LYS C -87.30 -27.30 -53.34 -51.97 -52.25 . . 0 "[ . 1 . 2]"
116 . 1 83 LYS N 1 83 LYS CA 1 83 LYS C 1 84 ALA N -72.70 -12.70 -32.41 -32.81 -33.12 . . 0 "[ . 1 . 2]"
117 . 1 83 LYS C 1 84 ALA N 1 84 ALA CA 1 84 ALA C -95.10 -35.10 -65.57 -67.03 -64.59 . . 0 "[ . 1 . 2]"
118 . 1 84 ALA N 1 84 ALA CA 1 84 ALA C 1 85 ILE N -69.40 -9.40 -49.26 -49.42 -49.56 . . 0 "[ . 1 . 2]"
119 . 1 84 ALA C 1 85 ILE N 1 85 ILE CA 1 85 ILE C -94.20 -34.20 -58.91 -59.65 -58.44 . . 0 "[ . 1 . 2]"
120 . 1 85 ILE N 1 85 ILE CA 1 85 ILE C 1 86 GLN N -69.80 -9.80 -44.57 -44.60 -44.66 . . 0 "[ . 1 . 2]"
121 . 1 85 ILE C 1 86 GLN N 1 86 GLN CA 1 86 GLN C -88.90 -28.90 -59.21 -59.28 -59.40 . . 0 "[ . 1 . 2]"
122 . 1 86 GLN N 1 86 GLN CA 1 86 GLN C 1 87 ASP N -72.70 -12.70 -51.15 -51.16 -51.37 . . 0 "[ . 1 . 2]"
123 . 1 86 GLN C 1 87 ASP N 1 87 ASP CA 1 87 ASP C -95.20 -35.20 -48.25 -49.72 -46.51 . . 0 "[ . 1 . 2]"
124 . 1 87 ASP N 1 87 ASP CA 1 87 ASP C 1 88 VAL N -72.30 -12.30 -57.42 -59.41 -55.72 . . 0 "[ . 1 . 2]"
125 . 1 87 ASP C 1 88 VAL N 1 88 VAL CA 1 88 VAL C -98.30 -38.30 -76.02 -75.37 -75.77 . . 0 "[ . 1 . 2]"
126 . 1 88 VAL N 1 88 VAL CA 1 88 VAL C 1 89 ASN N -73.50 -13.50 -40.21 -41.53 -38.64 . . 0 "[ . 1 . 2]"
127 . 1 88 VAL C 1 89 ASN N 1 89 ASN CA 1 89 ASN C -93.30 -33.30 -58.27 -57.71 -57.83 . . 0 "[ . 1 . 2]"
128 . 1 89 ASN N 1 89 ASN CA 1 89 ASN C 1 90 ALA N -67.30 -7.30 -29.39 -30.37 -30.85 . . 0 "[ . 1 . 2]"
129 . 1 89 ASN C 1 90 ALA N 1 90 ALA CA 1 90 ALA C -100.70 -40.70 -73.93 -75.90 -71.98 . . 0 "[ . 1 . 2]"
130 . 1 90 ALA N 1 90 ALA CA 1 90 ALA C 1 91 GLN N -52.00 8.00 -12.71 -12.80 -13.43 . . 0 "[ . 1 . 2]"
131 . 1 90 ALA C 1 91 GLN N 1 91 GLN CA 1 91 GLN C -133.30 -73.30 -89.93 -89.74 -89.74 . . 0 "[ . 1 . 2]"
132 . 1 91 GLN N 1 91 GLN CA 1 91 GLN C 1 92 PHE N -28.70 31.30 -19.12 -20.80 -16.55 . . 0 "[ . 1 . 2]"
133 . 1 91 GLN C 1 92 PHE N 1 92 PHE CA 1 92 PHE C -150.60 -90.60 -98.03 -98.18 -98.63 . . 0 "[ . 1 . 2]"
134 . 1 92 PHE N 1 92 PHE CA 1 92 PHE C 1 93 GLU N 128.90 -171.10 157.93 158.02 157.79 . . 0 "[ . 1 . 2]"
135 . 1 92 PHE C 1 93 GLU N 1 93 GLU CA 1 93 GLU C -110.50 -50.50 -62.86 -63.75 -64.20 . . 0 "[ . 1 . 2]"
136 . 1 93 GLU N 1 93 GLU CA 1 93 GLU C 1 94 LYS N -59.30 0.70 -25.81 -30.62 -23.07 . . 0 "[ . 1 . 2]"
137 . 1 93 GLU C 1 94 LYS N 1 94 LYS CA 1 94 LYS C -158.20 -98.20 -145.83 -139.85 -141.78 . . 0 "[ . 1 . 2]"
138 . 1 94 LYS N 1 94 LYS CA 1 94 LYS C 1 95 PRO N 81.80 141.80 144.03 142.72 142.28 4.20 7 0 "[ . 1 . 2]"
139 . 1 94 LYS C 1 95 PRO N 1 95 PRO CA 1 95 PRO C -97.20 -37.20 -47.61 -49.94 -44.02 . . 0 "[ . 1 . 2]"
140 . 1 95 PRO N 1 95 PRO CA 1 95 PRO C 1 96 ALA N 113.10 173.10 137.29 136.91 136.84 . . 0 "[ . 1 . 2]"
141 . 1 95 PRO C 1 96 ALA N 1 96 ALA CA 1 96 ALA C -130.40 -70.40 -130.93 -132.17 -129.37 1.77 7 0 "[ . 1 . 2]"
142 . 1 96 ALA N 1 96 ALA CA 1 96 ALA C 1 97 ILE N 86.00 146.00 53.70 53.45 53.18 33.10 13 20 [******-*****+*******]
143 . 1 96 ALA C 1 97 ILE N 1 97 ILE CA 1 97 ILE C -127.70 -67.70 -148.33 -148.56 -148.70 21.18 14 20 [***********-*+******]
144 . 1 97 ILE N 1 97 ILE CA 1 97 ILE C 1 98 VAL N 99.80 159.80 98.51 99.07 98.97 2.71 5 0 "[ . 1 . 2]"
145 . 1 97 ILE C 1 98 VAL N 1 98 VAL CA 1 98 VAL C -166.60 -106.60 -131.96 -133.35 -129.99 . . 0 "[ . 1 . 2]"
146 . 1 98 VAL N 1 98 VAL CA 1 98 VAL C 1 99 ASP N 94.00 154.00 113.28 106.61 119.48 . . 0 "[ . 1 . 2]"
147 . 1 98 VAL C 1 99 ASP N 1 99 ASP CA 1 99 ASP C 21.60 81.60 75.81 76.24 75.71 0.46 5 0 "[ . 1 . 2]"
148 . 1 99 ASP N 1 99 ASP CA 1 99 ASP C 1 100 GLY N 14.90 74.90 40.24 41.40 40.99 . . 0 "[ . 1 . 2]"
149 . 1 99 ASP C 1 100 GLY N 1 100 GLY CA 1 100 GLY C 48.20 108.20 68.72 65.75 73.54 . . 0 "[ . 1 . 2]"
150 . 1 100 GLY N 1 100 GLY CA 1 100 GLY C 1 101 VAL N -27.10 32.90 3.08 1.88 0.26 . . 0 "[ . 1 . 2]"
151 . 1 100 GLY C 1 101 VAL N 1 101 VAL CA 1 101 VAL C -126.20 -66.20 -128.82 -129.35 -130.03 3.83 1 0 "[ . 1 . 2]"
152 . 1 101 VAL N 1 101 VAL CA 1 101 VAL C 1 102 LEU N 111.80 171.80 136.30 134.80 138.17 . . 0 "[ . 1 . 2]"
153 . 1 101 VAL C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -129.90 -69.90 -67.30 -67.53 -67.68 3.35 8 0 "[ . 1 . 2]"
154 . 1 102 LEU N 1 102 LEU CA 1 102 LEU C 1 103 ASP N 96.00 156.00 152.70 151.81 151.25 . . 0 "[ . 1 . 2]"
155 . 1 102 LEU C 1 103 ASP N 1 103 ASP CA 1 103 ASP C -116.00 -56.00 -104.62 -109.43 -101.81 . . 0 "[ . 1 . 2]"
156 . 1 103 ASP N 1 103 ASP CA 1 103 ASP C 1 104 THR N 97.50 157.50 94.31 94.30 94.09 4.39 10 0 "[ . 1 . 2]"
157 . 1 103 ASP C 1 104 THR N 1 104 THR CA 1 104 THR C -97.70 -37.70 -68.38 -69.41 -69.67 . . 0 "[ . 1 . 2]"
158 . 1 104 THR N 1 104 THR CA 1 104 THR C 1 105 ASN N -52.60 7.40 -12.10 -13.86 -9.65 . . 0 "[ . 1 . 2]"
159 . 1 104 THR C 1 105 ASN N 1 105 ASN CA 1 105 ASN C -133.00 -73.00 -83.80 -87.86 -76.15 . . 0 "[ . 1 . 2]"
160 . 1 105 ASN N 1 105 ASN CA 1 105 ASN C 1 106 ALA N -27.50 32.50 -5.05 -17.02 0.92 . . 0 "[ . 1 . 2]"
161 . 1 106 ALA C 1 107 LYS N 1 107 LYS CA 1 107 LYS C -152.30 -92.30 -134.86 -134.76 -135.72 . . 0 "[ . 1 . 2]"
162 . 1 107 LYS N 1 107 LYS CA 1 107 LYS C 1 108 ALA N 94.60 154.60 95.54 96.36 95.95 1.65 7 0 "[ . 1 . 2]"
163 . 1 107 LYS C 1 108 ALA N 1 108 ALA CA 1 108 ALA C -111.70 -51.70 -63.66 -64.33 -64.38 . . 0 "[ . 1 . 2]"
164 . 1 108 ALA N 1 108 ALA CA 1 108 ALA C 1 109 LYS N 85.70 145.70 101.11 101.31 100.75 . . 0 "[ . 1 . 2]"
165 . 1 109 LYS C 1 110 SER N 1 110 SER CA 1 110 SER C -92.20 -32.20 -72.04 -72.59 -72.92 . . 0 "[ . 1 . 2]"
166 . 1 110 SER N 1 110 SER CA 1 110 SER C 1 111 ASP N -61.30 -1.30 0.54 0.55 0.41 2.81 12 0 "[ . 1 . 2]"
167 . 1 110 SER C 1 111 ASP N 1 111 ASP CA 1 111 ASP C -134.50 -74.50 -115.45 -119.87 -111.32 . . 0 "[ . 1 . 2]"
168 . 1 111 ASP N 1 111 ASP CA 1 111 ASP C 1 112 ALA N -22.60 37.40 -14.39 -16.72 -17.82 . . 0 "[ . 1 . 2]"
169 . 1 113 LYS C 1 114 PHE N 1 114 PHE CA 1 114 PHE C -150.40 -90.40 -89.42 -89.53 -89.65 1.48 2 0 "[ . 1 . 2]"
170 . 1 114 PHE N 1 114 PHE CA 1 114 PHE C 1 115 THR N 117.90 177.90 156.16 154.30 153.12 . . 0 "[ . 1 . 2]"
171 . 1 114 PHE C 1 115 THR N 1 115 THR CA 1 115 THR C -132.60 -72.60 -129.61 -133.49 -126.99 0.89 20 0 "[ . 1 . 2]"
172 . 1 115 THR N 1 115 THR CA 1 115 THR C 1 116 ASP N 106.50 166.50 135.80 132.40 139.87 . . 0 "[ . 1 . 2]"
173 . 1 117 ILE C 1 118 LYS N 1 118 LYS CA 1 118 LYS C -127.50 -67.50 -106.51 -101.40 -103.58 . . 0 "[ . 1 . 2]"
174 . 1 118 LYS N 1 118 LYS CA 1 118 LYS C 1 119 THR N 94.80 154.80 109.34 102.22 118.50 . . 0 "[ . 1 . 2]"
175 . 1 120 GLY C 1 121 ASN N 1 121 ASN CA 1 121 ASN C -115.20 -55.20 -89.07 -89.49 -90.36 . . 0 "[ . 1 . 2]"
176 . 1 121 ASN N 1 121 ASN CA 1 121 ASN C 1 122 THR N 82.60 142.60 90.24 82.51 108.62 0.09 7 0 "[ . 1 . 2]"
177 . 1 121 ASN C 1 122 THR N 1 122 THR CA 1 122 THR C -87.40 -27.40 -49.73 -61.46 -64.87 . . 0 "[ . 1 . 2]"
178 . 1 122 THR N 1 122 THR CA 1 122 THR C 1 123 GLU N -69.60 -9.60 -57.05 -60.57 -51.90 . . 0 "[ . 1 . 2]"
179 . 1 122 THR C 1 123 GLU N 1 123 GLU CA 1 123 GLU C -92.80 -32.80 -53.82 -58.62 -51.49 . . 0 "[ . 1 . 2]"
180 . 1 123 GLU N 1 123 GLU CA 1 123 GLU C 1 124 LEU N -70.10 -10.10 -35.41 -38.98 -26.31 . . 0 "[ . 1 . 2]"
181 . 1 123 GLU C 1 124 LEU N 1 124 LEU CA 1 124 LEU C -97.00 -37.00 -71.97 -78.48 -68.97 . . 0 "[ . 1 . 2]"
182 . 1 124 LEU N 1 124 LEU CA 1 124 LEU C 1 125 ASP N -71.00 -11.00 -45.46 -45.48 -45.72 . . 0 "[ . 1 . 2]"
183 . 1 124 LEU C 1 125 ASP N 1 125 ASP CA 1 125 ASP C -94.50 -34.50 -55.59 -58.03 -49.04 . . 0 "[ . 1 . 2]"
184 . 1 125 ASP N 1 125 ASP CA 1 125 ASP C 1 126 LYS N -70.20 -10.20 -32.59 -34.75 -39.85 . . 0 "[ . 1 . 2]"
185 . 1 125 ASP C 1 126 LYS N 1 126 LYS CA 1 126 LYS C -97.10 -37.10 -78.61 -82.88 -72.10 . . 0 "[ . 1 . 2]"
186 . 1 126 LYS N 1 126 LYS CA 1 126 LYS C 1 127 VAL N -68.40 -8.40 -21.70 -26.71 -15.06 . . 0 "[ . 1 . 2]"
187 . 1 126 LYS C 1 127 VAL N 1 127 VAL CA 1 127 VAL C -95.30 -35.30 -93.31 -93.32 -94.40 1.60 1 0 "[ . 1 . 2]"
188 . 1 127 VAL N 1 127 VAL CA 1 127 VAL C 1 128 LEU N -74.20 -14.20 -29.33 -30.07 -28.13 . . 0 "[ . 1 . 2]"
189 . 1 127 VAL C 1 128 LEU N 1 128 LEU CA 1 128 LEU C -95.90 -35.90 -55.39 -55.62 -55.78 . . 0 "[ . 1 . 2]"
190 . 1 128 LEU N 1 128 LEU CA 1 128 LEU C 1 129 ASP N -73.80 -13.80 -48.62 -49.50 -48.07 . . 0 "[ . 1 . 2]"
191 . 1 128 LEU C 1 129 ASP N 1 129 ASP CA 1 129 ASP C -90.70 -30.70 -58.30 -60.58 -55.49 . . 0 "[ . 1 . 2]"
192 . 1 129 ASP N 1 129 ASP CA 1 129 ASP C 1 130 LYS N -71.30 -11.30 -47.33 -46.38 -46.63 . . 0 "[ . 1 . 2]"
193 . 1 129 ASP C 1 130 LYS N 1 130 LYS CA 1 130 LYS C -96.20 -36.20 -45.04 -47.91 -43.07 . . 0 "[ . 1 . 2]"
194 . 1 130 LYS N 1 130 LYS CA 1 130 LYS C 1 131 ALA N -70.10 -10.10 -44.61 -42.44 -43.52 . . 0 "[ . 1 . 2]"
195 . 1 130 LYS C 1 131 ALA N 1 131 ALA CA 1 131 ALA C -94.60 -34.60 -69.59 -69.16 -69.22 . . 0 "[ . 1 . 2]"
196 . 1 131 ALA N 1 131 ALA CA 1 131 ALA C 1 132 ILE N -75.40 -15.40 -51.96 -53.24 -50.46 . . 0 "[ . 1 . 2]"
197 . 1 131 ALA C 1 132 ILE N 1 132 ILE CA 1 132 ILE C -94.40 -34.40 -52.21 -52.29 -52.32 . . 0 "[ . 1 . 2]"
198 . 1 132 ILE N 1 132 ILE CA 1 132 ILE C 1 133 SER N -66.10 -6.10 -23.72 -23.68 -23.95 . . 0 "[ . 1 . 2]"
199 . 1 132 ILE C 1 133 SER N 1 133 SER CA 1 133 SER C -102.40 -42.40 -80.54 -76.43 -78.26 . . 0 "[ . 1 . 2]"
200 . 1 133 SER N 1 133 SER CA 1 133 SER C 1 134 LEU N -56.10 3.90 -16.32 -21.18 -11.90 . . 0 "[ . 1 . 2]"
201 . 1 133 SER C 1 134 LEU N 1 134 LEU CA 1 134 LEU C -115.30 -55.30 -79.95 -79.98 -80.32 . . 0 "[ . 1 . 2]"
202 . 1 134 LEU N 1 134 LEU CA 1 134 LEU C 1 135 GLY N -38.60 21.40 -28.63 -26.10 -26.92 . . 0 "[ . 1 . 2]"
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