NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407471 |
1y8m   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1y8m
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 184
_TA_constraint_stats_list.Viol_count 878
_TA_constraint_stats_list.Viol_total 29548.59
_TA_constraint_stats_list.Viol_max 8.77
_TA_constraint_stats_list.Viol_rms 0.99
_TA_constraint_stats_list.Viol_average_all_restraints 0.40
_TA_constraint_stats_list.Viol_average_violations_only 1.68
_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 9 THR C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -70.00 -50.00 -70.00 -71.39 -72.78 4.87 17 0 "[ . 1 . 2]"
2 . 1 10 LEU C 1 11 LYS N 1 11 LYS CA 1 11 LYS C -74.00 -54.00 -64.28 -63.93 -64.42 . . 0 "[ . 1 . 2]"
3 . 1 11 LYS C 1 12 ASP N 1 12 ASP CA 1 12 ASP C -75.00 -55.00 -57.81 -62.59 -54.65 0.35 1 0 "[ . 1 . 2]"
4 . 1 12 ASP C 1 13 ALA N 1 13 ALA CA 1 13 ALA C -83.00 -43.00 -61.80 -69.03 -54.57 . . 0 "[ . 1 . 2]"
5 . 1 18 TYR C 1 19 PRO N 1 19 PRO CA 1 19 PRO C -71.00 -51.00 -59.38 -62.61 -57.30 . . 0 "[ . 1 . 2]"
6 . 1 19 PRO C 1 20 GLN N 1 20 GLN CA 1 20 GLN C -85.00 -45.00 -74.78 -70.50 -72.82 2.44 4 0 "[ . 1 . 2]"
7 . 1 20 GLN C 1 21 GLN N 1 21 GLN CA 1 21 GLN C -76.00 -56.00 -60.81 -71.00 -53.99 2.01 19 0 "[ . 1 . 2]"
8 . 1 21 GLN C 1 22 LEU N 1 22 LEU CA 1 22 LEU C -73.00 -53.00 -68.76 -71.22 -71.57 0.32 12 0 "[ . 1 . 2]"
9 . 1 22 LEU C 1 23 GLU N 1 23 GLU CA 1 23 GLU C -77.00 -57.00 -73.29 -76.40 -62.74 . . 0 "[ . 1 . 2]"
10 . 1 23 GLU C 1 24 ILE N 1 24 ILE CA 1 24 ILE C -77.00 -57.00 -62.50 -62.35 -63.57 0.03 19 0 "[ . 1 . 2]"
11 . 1 24 ILE C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -75.00 -55.00 -60.40 -65.63 -54.51 0.49 20 0 "[ . 1 . 2]"
12 . 1 25 LEU C 1 26 ARG N 1 26 ARG CA 1 26 ARG C -77.00 -53.00 -75.05 -77.98 -65.41 0.98 7 0 "[ . 1 . 2]"
13 . 1 26 ARG C 1 27 GLN N 1 27 GLN CA 1 27 GLN C -76.00 -56.00 -59.11 -58.15 -59.74 0.02 18 0 "[ . 1 . 2]"
14 . 1 27 GLN C 1 28 GLN N 1 28 GLN CA 1 28 GLN C -76.00 -56.00 -67.80 -70.02 -71.11 . . 0 "[ . 1 . 2]"
15 . 1 28 GLN C 1 29 VAL N 1 29 VAL CA 1 29 VAL C -79.00 -59.00 -73.62 -74.80 -76.37 0.11 12 0 "[ . 1 . 2]"
16 . 1 29 VAL C 1 30 VAL N 1 30 VAL CA 1 30 VAL C -77.00 -57.00 -66.49 -64.19 -64.82 . . 0 "[ . 1 . 2]"
17 . 1 30 VAL C 1 31 SER N 1 31 SER CA 1 31 SER C -88.00 -48.00 -57.97 -66.99 -50.64 . . 0 "[ . 1 . 2]"
18 . 1 31 SER C 1 32 GLU N 1 32 GLU CA 1 32 GLU C -109.00 -83.00 -82.97 -88.01 -79.93 3.07 20 0 "[ . 1 . 2]"
19 . 1 38 THR C 1 39 ILE N 1 39 ILE CA 1 39 ILE C -72.00 -52.00 -67.29 -65.65 -66.97 6.95 15 1 "[ . 1 + 2]"
20 . 1 39 ILE C 1 40 GLN N 1 40 GLN CA 1 40 GLN C -73.00 -53.00 -58.10 -52.99 -54.22 0.48 2 0 "[ . 1 . 2]"
21 . 1 40 GLN C 1 41 SER N 1 41 SER CA 1 41 SER C -73.00 -53.00 -70.88 -73.72 -74.05 1.82 11 0 "[ . 1 . 2]"
22 . 1 41 SER C 1 42 ARG N 1 42 ARG CA 1 42 ARG C -75.00 -55.00 -70.62 -71.98 -72.34 0.50 3 0 "[ . 1 . 2]"
23 . 1 42 ARG C 1 43 PHE N 1 43 PHE CA 1 43 PHE C -72.00 -52.00 -53.76 -50.55 -51.33 1.45 2 0 "[ . 1 . 2]"
24 . 1 43 PHE C 1 44 ASN N 1 44 ASN CA 1 44 ASN C -88.00 -48.00 -67.34 -67.01 -67.57 . . 0 "[ . 1 . 2]"
25 . 1 44 ASN C 1 45 TYR N 1 45 TYR CA 1 45 TYR C -74.00 -54.00 -58.46 -63.90 -53.51 0.49 12 0 "[ . 1 . 2]"
26 . 1 45 TYR C 1 46 ALA N 1 46 ALA CA 1 46 ALA C -81.00 -59.00 -72.86 -79.17 -64.87 . . 0 "[ . 1 . 2]"
27 . 1 46 ALA C 1 47 TRP N 1 47 TRP CA 1 47 TRP C -98.00 -62.00 -65.60 -70.82 -61.03 0.97 5 0 "[ . 1 . 2]"
28 . 1 47 TRP C 1 48 GLY N 1 48 GLY CA 1 48 GLY C -86.00 -46.00 -61.41 -63.51 -64.72 . . 0 "[ . 1 . 2]"
29 . 1 48 GLY C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -80.00 -60.00 -65.04 -63.90 -64.61 0.13 8 0 "[ . 1 . 2]"
30 . 1 49 LEU C 1 50 ILE N 1 50 ILE CA 1 50 ILE C -78.00 -58.00 -73.90 -78.97 -79.09 1.09 1 0 "[ . 1 . 2]"
31 . 1 50 ILE C 1 51 LYS N 1 51 LYS CA 1 51 LYS C -76.00 -56.00 -74.46 -77.50 -68.44 1.50 13 0 "[ . 1 . 2]"
32 . 1 54 ASP C 1 55 VAL N 1 55 VAL CA 1 55 VAL C -76.00 -46.00 -79.48 -81.02 -77.44 5.02 4 1 "[ +. 1 . 2]"
33 . 1 55 VAL C 1 56 ASN N 1 56 ASN CA 1 56 ASN C -73.00 -53.00 -61.37 -57.90 -58.72 . . 0 "[ . 1 . 2]"
34 . 1 56 ASN C 1 57 ASP N 1 57 ASP CA 1 57 ASP C -80.00 -60.00 -71.11 -73.57 -76.13 . . 0 "[ . 1 . 2]"
35 . 1 57 ASP C 1 58 GLU N 1 58 GLU CA 1 58 GLU C -76.00 -56.00 -62.76 -67.37 -70.49 1.16 9 0 "[ . 1 . 2]"
36 . 1 58 GLU C 1 59 ARG N 1 59 ARG CA 1 59 ARG C -73.00 -53.00 -69.25 -64.64 -66.48 0.16 3 0 "[ . 1 . 2]"
37 . 1 59 ARG C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -78.00 -58.00 -75.11 -78.62 -71.44 0.62 20 0 "[ . 1 . 2]"
38 . 1 60 LEU C 1 61 GLY N 1 61 GLY CA 1 61 GLY C -75.00 -55.00 -62.16 -66.35 -58.45 . . 0 "[ . 1 . 2]"
39 . 1 61 GLY C 1 62 VAL N 1 62 VAL CA 1 62 VAL C -77.00 -57.00 -58.83 -63.99 -55.75 1.25 17 0 "[ . 1 . 2]"
40 . 1 62 VAL C 1 63 LYS N 1 63 LYS CA 1 63 LYS C -76.00 -56.00 -58.57 -59.00 -59.34 2.07 4 0 "[ . 1 . 2]"
41 . 1 63 LYS C 1 64 ILE N 1 64 ILE CA 1 64 ILE C -76.00 -56.00 -66.53 -60.15 -61.66 1.06 4 0 "[ . 1 . 2]"
42 . 1 64 ILE C 1 65 LEU N 1 65 LEU CA 1 65 LEU C -75.00 -55.00 -58.68 -63.33 -54.64 0.36 1 0 "[ . 1 . 2]"
43 . 1 65 LEU C 1 66 THR N 1 66 THR CA 1 66 THR C -79.00 -59.00 -81.76 -81.81 -82.42 4.62 19 0 "[ . 1 . 2]"
44 . 1 66 THR C 1 67 ASP N 1 67 ASP CA 1 67 ASP C -75.00 -55.00 -74.25 -78.15 -68.64 3.15 4 0 "[ . 1 . 2]"
45 . 1 67 ASP C 1 68 ILE N 1 68 ILE CA 1 68 ILE C -77.00 -57.00 -66.48 -70.30 -61.06 . . 0 "[ . 1 . 2]"
46 . 1 68 ILE C 1 69 TYR N 1 69 TYR CA 1 69 TYR C -72.00 -52.00 -65.58 -67.30 -69.64 1.85 13 0 "[ . 1 . 2]"
47 . 1 69 TYR C 1 70 LYS N 1 70 LYS CA 1 70 LYS C -73.00 -53.00 -74.08 -76.21 -68.95 3.21 11 0 "[ . 1 . 2]"
48 . 1 75 ARG C 1 76 ARG N 1 76 ARG CA 1 76 ARG C -72.00 -52.00 -65.90 -56.80 -63.94 4.79 3 0 "[ . 1 . 2]"
49 . 1 76 ARG C 1 77 ARG N 1 77 ARG CA 1 77 ARG C -75.00 -55.00 -53.69 -55.22 -56.79 4.25 13 0 "[ . 1 . 2]"
50 . 1 77 ARG C 1 78 GLU N 1 78 GLU CA 1 78 GLU C -76.00 -56.00 -66.70 -71.92 -56.78 . . 0 "[ . 1 . 2]"
51 . 1 78 GLU C 1 79 CYS N 1 79 CYS CA 1 79 CYS C -77.00 -57.00 -66.08 -63.81 -67.08 . . 0 "[ . 1 . 2]"
52 . 1 79 CYS C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -75.00 -55.00 -55.39 -54.26 -54.42 1.63 5 0 "[ . 1 . 2]"
53 . 1 80 LEU C 1 81 TYR N 1 81 TYR CA 1 81 TYR C -77.00 -57.00 -69.23 -68.67 -69.59 . . 0 "[ . 1 . 2]"
54 . 1 81 TYR C 1 82 TYR N 1 82 TYR CA 1 82 TYR C -77.00 -57.00 -65.74 -70.22 -59.93 . . 0 "[ . 1 . 2]"
55 . 1 82 TYR C 1 83 LEU N 1 83 LEU CA 1 83 LEU C -76.00 -56.00 -66.86 -68.89 -63.96 . . 0 "[ . 1 . 2]"
56 . 1 83 LEU C 1 84 THR N 1 84 THR CA 1 84 THR C -78.00 -58.00 -59.89 -60.36 -61.08 2.54 20 0 "[ . 1 . 2]"
57 . 1 84 THR C 1 85 ILE N 1 85 ILE CA 1 85 ILE C -75.00 -55.00 -71.76 -74.97 -69.57 . . 0 "[ . 1 . 2]"
58 . 1 85 ILE C 1 86 GLY N 1 86 GLY CA 1 86 GLY C -74.00 -54.00 -61.59 -62.07 -62.40 . . 0 "[ . 1 . 2]"
59 . 1 86 GLY C 1 87 CYS N 1 87 CYS CA 1 87 CYS C -76.00 -56.00 -75.64 -78.53 -67.43 2.53 12 0 "[ . 1 . 2]"
60 . 1 87 CYS C 1 88 TYR N 1 88 TYR CA 1 88 TYR C -76.00 -56.00 -58.63 -67.37 -54.25 1.75 20 0 "[ . 1 . 2]"
61 . 1 88 TYR C 1 89 LYS N 1 89 LYS CA 1 89 LYS C -80.00 -58.00 -74.17 -79.20 -60.43 . . 0 "[ . 1 . 2]"
62 . 1 89 LYS C 1 90 LEU N 1 90 LEU CA 1 90 LEU C -110.00 -80.00 -96.39 -105.89 -78.30 1.70 14 0 "[ . 1 . 2]"
63 . 1 92 GLU C 1 93 TYR N 1 93 TYR CA 1 93 TYR C -83.00 -43.00 -51.83 -79.33 -43.22 . . 0 "[ . 1 . 2]"
64 . 1 93 TYR C 1 94 SER N 1 94 SER CA 1 94 SER C -76.00 -56.00 -64.94 -67.75 -70.30 . . 0 "[ . 1 . 2]"
65 . 1 94 SER C 1 95 MET N 1 95 MET CA 1 95 MET C -76.00 -56.00 -76.04 -78.23 -71.87 2.23 5 0 "[ . 1 . 2]"
66 . 1 95 MET C 1 96 ALA N 1 96 ALA CA 1 96 ALA C -81.00 -41.00 -57.26 -57.42 -58.05 . . 0 "[ . 1 . 2]"
67 . 1 96 ALA C 1 97 LYS N 1 97 LYS CA 1 97 LYS C -75.00 -55.00 -59.46 -56.87 -58.21 . . 0 "[ . 1 . 2]"
68 . 1 97 LYS C 1 98 ARG N 1 98 ARG CA 1 98 ARG C -75.00 -55.00 -64.58 -70.03 -57.10 . . 0 "[ . 1 . 2]"
69 . 1 98 ARG C 1 99 TYR N 1 99 TYR CA 1 99 TYR C -74.00 -54.00 -72.89 -74.79 -69.51 0.79 6 0 "[ . 1 . 2]"
70 . 1 99 TYR C 1 100 VAL N 1 100 VAL CA 1 100 VAL C -91.00 -51.00 -60.36 -59.99 -60.57 . . 0 "[ . 1 . 2]"
71 . 1 100 VAL C 1 101 ASP N 1 101 ASP CA 1 101 ASP C -88.00 -48.00 -61.51 -64.86 -57.07 . . 0 "[ . 1 . 2]"
72 . 1 101 ASP C 1 102 THR N 1 102 THR CA 1 102 THR C -90.00 -50.00 -59.22 -60.01 -61.30 . . 0 "[ . 1 . 2]"
73 . 1 102 THR C 1 103 LEU N 1 103 LEU CA 1 103 LEU C -73.00 -53.00 -65.69 -64.97 -65.56 . . 0 "[ . 1 . 2]"
74 . 1 103 LEU C 1 104 PHE N 1 104 PHE CA 1 104 PHE C -73.00 -53.00 -63.22 -74.41 -51.73 1.41 6 0 "[ . 1 . 2]"
75 . 1 104 PHE C 1 105 GLU N 1 105 GLU CA 1 105 GLU C -83.00 -53.00 -60.62 -58.08 -59.26 1.77 7 0 "[ . 1 . 2]"
76 . 1 110 ASN C 1 111 LYS N 1 111 LYS CA 1 111 LYS C -73.00 -53.00 -49.83 -53.08 -48.24 4.76 4 0 "[ . 1 . 2]"
77 . 1 111 LYS C 1 112 GLN N 1 112 GLN CA 1 112 GLN C -76.00 -56.00 -74.64 -78.31 -66.01 2.31 11 0 "[ . 1 . 2]"
78 . 1 112 GLN C 1 113 VAL N 1 113 VAL CA 1 113 VAL C -75.00 -55.00 -74.84 -78.19 -66.91 3.19 3 0 "[ . 1 . 2]"
79 . 1 113 VAL C 1 114 GLY N 1 114 GLY CA 1 114 GLY C -75.00 -55.00 -57.68 -64.09 -51.45 3.55 13 0 "[ . 1 . 2]"
80 . 1 114 GLY C 1 115 ALA N 1 115 ALA CA 1 115 ALA C -76.00 -56.00 -77.40 -80.72 -75.48 4.72 2 0 "[ . 1 . 2]"
81 . 1 115 ALA C 1 116 LEU N 1 116 LEU CA 1 116 LEU C -78.00 -58.00 -59.25 -69.78 -55.95 2.05 20 0 "[ . 1 . 2]"
82 . 1 116 LEU C 1 117 LYS N 1 117 LYS CA 1 117 LYS C -76.00 -56.00 -59.64 -62.31 -57.43 . . 0 "[ . 1 . 2]"
83 . 1 117 LYS C 1 118 SER N 1 118 SER CA 1 118 SER C -76.00 -56.00 -62.48 -61.30 -62.94 0.84 14 0 "[ . 1 . 2]"
84 . 1 118 SER C 1 119 MET N 1 119 MET CA 1 119 MET C -75.00 -55.00 -73.63 -75.97 -71.64 0.97 20 0 "[ . 1 . 2]"
85 . 1 119 MET C 1 120 VAL N 1 120 VAL CA 1 120 VAL C -77.00 -57.00 -65.62 -68.29 -70.13 . . 0 "[ . 1 . 2]"
86 . 1 120 VAL C 1 121 GLU N 1 121 GLU CA 1 121 GLU C -73.00 -53.00 -69.96 -71.61 -73.44 1.62 1 0 "[ . 1 . 2]"
87 . 1 121 GLU C 1 122 ASP N 1 122 ASP CA 1 122 ASP C -78.00 -58.00 -69.96 -75.07 -65.25 . . 0 "[ . 1 . 2]"
88 . 1 122 ASP C 1 123 LYS N 1 123 LYS CA 1 123 LYS C -88.00 -48.00 -74.89 -76.29 -77.81 . . 0 "[ . 1 . 2]"
89 . 1 123 LYS C 1 124 ILE N 1 124 ILE CA 1 124 ILE C -79.00 -59.00 -75.85 -77.22 -77.98 3.11 7 0 "[ . 1 . 2]"
90 . 1 124 ILE C 1 125 GLN N 1 125 GLN CA 1 125 GLN C -83.00 -43.00 -72.57 -72.68 -84.72 5.95 1 1 "[+ . 1 . 2]"
91 . 1 125 GLN C 1 126 LYS N 1 126 LYS CA 1 126 LYS C -83.00 -43.00 -69.51 -67.04 -68.11 . . 0 "[ . 1 . 2]"
92 . 1 126 LYS C 1 127 GLU N 1 127 GLU CA 1 127 GLU C -87.00 -47.00 -57.32 -58.84 -65.46 0.33 18 0 "[ . 1 . 2]"
93 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 LYS N -46.00 -26.00 -28.00 -33.73 -23.65 2.35 1 0 "[ . 1 . 2]"
94 . 1 11 LYS N 1 11 LYS CA 1 11 LYS C 1 12 ASP N -53.00 -33.00 -30.91 -31.86 -28.89 4.11 7 0 "[ . 1 . 2]"
95 . 1 12 ASP N 1 12 ASP CA 1 12 ASP C 1 13 ALA N -47.00 -21.00 -25.15 -25.32 -25.89 . . 0 "[ . 1 . 2]"
96 . 1 13 ALA N 1 13 ALA CA 1 13 ALA C 1 14 TYR N -57.00 -17.00 -26.59 -36.20 -16.65 0.35 13 0 "[ . 1 . 2]"
97 . 1 19 PRO N 1 19 PRO CA 1 19 PRO C 1 20 GLN N -47.00 -23.00 -26.75 -48.36 -20.29 2.71 5 0 "[ . 1 . 2]"
98 . 1 20 GLN N 1 20 GLN CA 1 20 GLN C 1 21 GLN N -55.00 -15.00 -44.35 -39.09 -41.88 0.03 5 0 "[ . 1 . 2]"
99 . 1 21 GLN N 1 21 GLN CA 1 21 GLN C 1 22 LEU N -55.00 -23.00 -41.09 -52.85 -28.76 . . 0 "[ . 1 . 2]"
100 . 1 22 LEU N 1 22 LEU CA 1 22 LEU C 1 23 GLU N -59.00 -25.00 -33.79 -35.80 -36.94 . . 0 "[ . 1 . 2]"
101 . 1 23 GLU N 1 23 GLU CA 1 23 GLU C 1 24 ILE N -50.00 -30.00 -30.48 -34.52 -29.25 0.75 14 0 "[ . 1 . 2]"
102 . 1 24 ILE N 1 24 ILE CA 1 24 ILE C 1 25 LEU N -50.00 -30.00 -49.29 -50.28 -51.19 5.09 20 1 "[ . 1 . +]"
103 . 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 ARG N -49.00 -29.00 -30.11 -30.48 -31.98 1.26 4 0 "[ . 1 . 2]"
104 . 1 26 ARG N 1 26 ARG CA 1 26 ARG C 1 27 GLN N -46.00 -26.00 -37.39 -42.96 -29.53 . . 0 "[ . 1 . 2]"
105 . 1 27 GLN N 1 27 GLN CA 1 27 GLN C 1 28 GLN N -43.00 -23.00 -43.84 -45.30 -40.20 2.30 7 0 "[ . 1 . 2]"
106 . 1 28 GLN N 1 28 GLN CA 1 28 GLN C 1 29 VAL N -50.00 -30.00 -34.18 -38.22 -30.50 . . 0 "[ . 1 . 2]"
107 . 1 29 VAL N 1 29 VAL CA 1 29 VAL C 1 30 VAL N -50.00 -30.00 -51.11 -52.36 -47.03 2.36 18 0 "[ . 1 . 2]"
108 . 1 30 VAL N 1 30 VAL CA 1 30 VAL C 1 31 SER N -50.00 -30.00 -42.65 -45.13 -38.42 . . 0 "[ . 1 . 2]"
109 . 1 31 SER N 1 31 SER CA 1 31 SER C 1 32 GLU N -48.00 -8.00 -31.06 -29.84 -30.88 . . 0 "[ . 1 . 2]"
110 . 1 32 GLU N 1 32 GLU CA 1 32 GLU C 1 33 GLY N -10.00 16.00 -8.96 -10.74 -3.91 0.74 19 0 "[ . 1 . 2]"
111 . 1 39 ILE N 1 39 ILE CA 1 39 ILE C 1 40 GLN N -50.00 -30.00 -42.02 -46.38 -30.75 . . 0 "[ . 1 . 2]"
112 . 1 40 GLN N 1 40 GLN CA 1 40 GLN C 1 41 SER N -50.00 -30.00 -28.15 -30.12 -26.89 3.11 10 0 "[ . 1 . 2]"
113 . 1 41 SER N 1 41 SER CA 1 41 SER C 1 42 ARG N -47.00 -27.00 -47.14 -48.67 -41.97 1.67 20 0 "[ . 1 . 2]"
114 . 1 42 ARG N 1 42 ARG CA 1 42 ARG C 1 43 PHE N -54.00 -34.00 -37.39 -38.32 -39.10 0.58 5 0 "[ . 1 . 2]"
115 . 1 43 PHE N 1 43 PHE CA 1 43 PHE C 1 44 ASN N -55.00 -35.00 -51.29 -55.74 -39.70 0.74 13 0 "[ . 1 . 2]"
116 . 1 44 ASN N 1 44 ASN CA 1 44 ASN C 1 45 TYR N -50.00 -10.00 -37.09 -35.75 -36.15 . . 0 "[ . 1 . 2]"
117 . 1 45 TYR N 1 45 TYR CA 1 45 TYR C 1 46 ALA N -48.00 -28.00 -34.68 -34.98 -36.28 . . 0 "[ . 1 . 2]"
118 . 1 46 ALA N 1 46 ALA CA 1 46 ALA C 1 47 TRP N -31.00 -11.00 -30.26 -32.32 -25.60 1.32 15 0 "[ . 1 . 2]"
119 . 1 47 TRP N 1 47 TRP CA 1 47 TRP C 1 48 GLY N -47.00 -9.00 -47.33 -49.61 -42.49 2.61 5 0 "[ . 1 . 2]"
120 . 1 48 GLY N 1 48 GLY CA 1 48 GLY C 1 49 LEU N -60.00 -20.00 -38.29 -42.93 -30.44 . . 0 "[ . 1 . 2]"
121 . 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 ILE N -48.00 -28.00 -29.80 -35.22 -26.40 1.60 11 0 "[ . 1 . 2]"
122 . 1 50 ILE N 1 50 ILE CA 1 50 ILE C 1 51 LYS N -49.00 -29.00 -30.88 -30.52 -30.55 1.33 4 0 "[ . 1 . 2]"
123 . 1 51 LYS N 1 51 LYS CA 1 51 LYS C 1 52 SER N -40.00 -8.00 -13.47 -9.54 -11.38 0.84 6 0 "[ . 1 . 2]"
124 . 1 55 VAL N 1 55 VAL CA 1 55 VAL C 1 56 ASN N -61.00 -21.00 -16.92 -18.30 -13.05 7.95 4 3 "[ +- * 1 . 2]"
125 . 1 56 ASN N 1 56 ASN CA 1 56 ASN C 1 57 ASP N -50.00 -30.00 -47.07 -50.74 -39.32 0.74 10 0 "[ . 1 . 2]"
126 . 1 57 ASP N 1 57 ASP CA 1 57 ASP C 1 58 GLU N -48.00 -28.00 -35.99 -51.60 -27.55 3.60 15 0 "[ . 1 . 2]"
127 . 1 58 GLU N 1 58 GLU CA 1 58 GLU C 1 59 ARG N -51.00 -31.00 -40.27 -49.72 -34.07 . . 0 "[ . 1 . 2]"
128 . 1 59 ARG N 1 59 ARG CA 1 59 ARG C 1 60 LEU N -48.00 -28.00 -25.90 -28.58 -22.88 5.12 19 1 "[ . 1 . +2]"
129 . 1 60 LEU N 1 60 LEU CA 1 60 LEU C 1 61 GLY N -49.00 -29.00 -42.37 -44.50 -45.12 . . 0 "[ . 1 . 2]"
130 . 1 61 GLY N 1 61 GLY CA 1 61 GLY C 1 62 VAL N -52.00 -32.00 -41.86 -45.15 -37.15 . . 0 "[ . 1 . 2]"
131 . 1 62 VAL N 1 62 VAL CA 1 62 VAL C 1 63 LYS N -50.00 -30.00 -46.89 -51.06 -39.45 1.06 15 0 "[ . 1 . 2]"
132 . 1 63 LYS N 1 63 LYS CA 1 63 LYS C 1 64 ILE N -47.00 -27.00 -41.71 -48.80 -33.67 1.80 15 0 "[ . 1 . 2]"
133 . 1 64 ILE N 1 64 ILE CA 1 64 ILE C 1 65 LEU N -51.00 -31.00 -48.48 -49.79 -50.62 0.47 17 0 "[ . 1 . 2]"
134 . 1 65 LEU N 1 65 LEU CA 1 65 LEU C 1 66 THR N -54.00 -34.00 -29.96 -32.08 -27.32 6.68 4 4 "[ -+. * 1* . 2]"
135 . 1 66 THR N 1 66 THR CA 1 66 THR C 1 67 ASP N -48.00 -28.00 -27.61 -27.28 -27.64 2.88 4 0 "[ . 1 . 2]"
136 . 1 67 ASP N 1 67 ASP CA 1 67 ASP C 1 68 ILE N -46.00 -26.00 -45.33 -46.82 -46.99 2.03 11 0 "[ . 1 . 2]"
137 . 1 68 ILE N 1 68 ILE CA 1 68 ILE C 1 69 TYR N -52.00 -32.00 -30.88 -52.00 -26.92 5.08 12 1 "[ . 1 + . 2]"
138 . 1 69 TYR N 1 69 TYR CA 1 69 TYR C 1 70 LYS N -54.00 -24.00 -44.74 -55.83 -24.12 1.83 5 0 "[ . 1 . 2]"
139 . 1 70 LYS N 1 70 LYS CA 1 70 LYS C 1 71 GLU N -47.00 -27.00 -27.31 -23.31 -24.07 7.44 7 1 "[ . + 1 . 2]"
140 . 1 76 ARG N 1 76 ARG CA 1 76 ARG C 1 77 ARG N -47.00 -27.00 -39.17 -43.17 -44.12 . . 0 "[ . 1 . 2]"
141 . 1 77 ARG N 1 77 ARG CA 1 77 ARG C 1 78 GLU N -49.00 -29.00 -48.63 -47.17 -49.15 2.71 7 0 "[ . 1 . 2]"
142 . 1 78 GLU N 1 78 GLU CA 1 78 GLU C 1 79 CYS N -50.00 -30.00 -36.10 -41.60 -31.44 . . 0 "[ . 1 . 2]"
143 . 1 79 CYS N 1 79 CYS CA 1 79 CYS C 1 80 LEU N -53.00 -33.00 -44.78 -48.08 -49.58 . . 0 "[ . 1 . 2]"
144 . 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 TYR N -50.00 -30.00 -41.17 -41.00 -41.36 . . 0 "[ . 1 . 2]"
145 . 1 81 TYR N 1 81 TYR CA 1 81 TYR C 1 82 TYR N -52.00 -32.00 -49.26 -50.09 -50.18 1.40 19 0 "[ . 1 . 2]"
146 . 1 82 TYR N 1 82 TYR CA 1 82 TYR C 1 83 LEU N -49.00 -27.00 -32.57 -28.85 -31.06 . . 0 "[ . 1 . 2]"
147 . 1 83 LEU N 1 83 LEU CA 1 83 LEU C 1 84 THR N -50.00 -30.00 -37.91 -40.93 -31.03 . . 0 "[ . 1 . 2]"
148 . 1 84 THR N 1 84 THR CA 1 84 THR C 1 85 ILE N -51.00 -31.00 -42.11 -45.33 -35.73 . . 0 "[ . 1 . 2]"
149 . 1 85 ILE N 1 85 ILE CA 1 85 ILE C 1 86 GLY N -56.00 -36.00 -50.47 -49.25 -49.35 . . 0 "[ . 1 . 2]"
150 . 1 86 GLY N 1 86 GLY CA 1 86 GLY C 1 87 CYS N -50.00 -30.00 -34.23 -30.94 -31.09 0.32 19 0 "[ . 1 . 2]"
151 . 1 87 CYS N 1 87 CYS CA 1 87 CYS C 1 88 TYR N -54.00 -34.00 -37.54 -43.96 -31.61 2.39 18 0 "[ . 1 . 2]"
152 . 1 88 TYR N 1 88 TYR CA 1 88 TYR C 1 89 LYS N -48.00 -28.00 -36.19 -32.70 -36.08 1.87 4 0 "[ . 1 . 2]"
153 . 1 89 LYS N 1 89 LYS CA 1 89 LYS C 1 90 LEU N -49.00 -21.00 -23.11 -22.15 -22.52 1.34 18 0 "[ . 1 . 2]"
154 . 1 90 LEU N 1 90 LEU CA 1 90 LEU C 1 91 GLY N -27.00 15.00 7.93 -27.82 21.53 6.53 7 1 "[ . + 1 . 2]"
155 . 1 93 TYR N 1 93 TYR CA 1 93 TYR C 1 94 SER N -55.00 -15.00 -16.79 -14.73 -14.86 1.60 19 0 "[ . 1 . 2]"
156 . 1 94 SER N 1 94 SER CA 1 94 SER C 1 95 MET N -51.00 -31.00 -41.30 -52.06 -30.17 1.06 10 0 "[ . 1 . 2]"
157 . 1 95 MET N 1 95 MET CA 1 95 MET C 1 96 ALA N -49.00 -29.00 -41.35 -44.18 -45.14 1.08 10 0 "[ . 1 . 2]"
158 . 1 96 ALA N 1 96 ALA CA 1 96 ALA C 1 97 LYS N -57.00 -17.00 -45.26 -45.23 -45.44 . . 0 "[ . 1 . 2]"
159 . 1 97 LYS N 1 97 LYS CA 1 97 LYS C 1 98 ARG N -57.00 -23.00 -48.04 -48.13 -48.46 . . 0 "[ . 1 . 2]"
160 . 1 98 ARG N 1 98 ARG CA 1 98 ARG C 1 99 TYR N -52.00 -30.00 -39.65 -38.82 -39.27 . . 0 "[ . 1 . 2]"
161 . 1 99 TYR N 1 99 TYR CA 1 99 TYR C 1 100 VAL N -49.00 -29.00 -50.13 -53.66 -44.34 4.66 13 0 "[ . 1 . 2]"
162 . 1 100 VAL N 1 100 VAL CA 1 100 VAL C 1 101 ASP N -56.00 -16.00 -35.08 -33.95 -34.82 . . 0 "[ . 1 . 2]"
163 . 1 101 ASP N 1 101 ASP CA 1 101 ASP C 1 102 THR N -56.00 -16.00 -49.09 -54.29 -44.76 . . 0 "[ . 1 . 2]"
164 . 1 102 THR N 1 102 THR CA 1 102 THR C 1 103 LEU N -56.00 -16.00 -47.06 -51.23 -41.21 . . 0 "[ . 1 . 2]"
165 . 1 103 LEU N 1 103 LEU CA 1 103 LEU C 1 104 PHE N -48.00 -28.00 -42.73 -32.98 -38.09 1.31 5 0 "[ . 1 . 2]"
166 . 1 104 PHE N 1 104 PHE CA 1 104 PHE C 1 105 GLU N -49.00 -29.00 -31.99 -31.00 -31.60 0.77 5 0 "[ . 1 . 2]"
167 . 1 105 GLU N 1 105 GLU CA 1 105 GLU C 1 106 HIS N -40.00 -8.00 -42.94 -39.61 -41.15 7.15 11 3 "[ . -1+ .* 2]"
168 . 1 111 LYS N 1 111 LYS CA 1 111 LYS C 1 112 GLN N -55.00 -15.00 -23.00 -56.77 -10.37 4.63 5 0 "[ . 1 . 2]"
169 . 1 112 GLN N 1 112 GLN CA 1 112 GLN C 1 113 VAL N -48.00 -28.00 -30.07 -26.45 -27.96 2.19 20 0 "[ . 1 . 2]"
170 . 1 113 VAL N 1 113 VAL CA 1 113 VAL C 1 114 GLY N -50.00 -30.00 -48.71 -45.03 -46.77 1.35 9 0 "[ . 1 . 2]"
171 . 1 114 GLY N 1 114 GLY CA 1 114 GLY C 1 115 ALA N -44.00 -24.00 -34.79 -34.05 -34.48 . . 0 "[ . 1 . 2]"
172 . 1 115 ALA N 1 115 ALA CA 1 115 ALA C 1 116 LEU N -48.00 -26.00 -44.50 -45.37 -46.26 0.86 13 0 "[ . 1 . 2]"
173 . 1 116 LEU N 1 116 LEU CA 1 116 LEU C 1 117 LYS N -46.00 -26.00 -47.24 -51.80 -43.22 5.80 5 2 "[ -+ 1 . 2]"
174 . 1 117 LYS N 1 117 LYS CA 1 117 LYS C 1 118 SER N -52.00 -30.00 -30.70 -35.61 -28.54 1.46 13 0 "[ . 1 . 2]"
175 . 1 118 SER N 1 118 SER CA 1 118 SER C 1 119 MET N -47.00 -27.00 -30.25 -35.19 -23.87 3.13 4 0 "[ . 1 . 2]"
176 . 1 119 MET N 1 119 MET CA 1 119 MET C 1 120 VAL N -50.00 -30.00 -42.85 -45.29 -39.74 . . 0 "[ . 1 . 2]"
177 . 1 120 VAL N 1 120 VAL CA 1 120 VAL C 1 121 GLU N -51.00 -31.00 -50.17 -52.50 -45.83 1.50 19 0 "[ . 1 . 2]"
178 . 1 121 GLU N 1 121 GLU CA 1 121 GLU C 1 122 ASP N -49.00 -29.00 -34.56 -36.20 -37.19 . . 0 "[ . 1 . 2]"
179 . 1 122 ASP N 1 122 ASP CA 1 122 ASP C 1 123 LYS N -49.00 -21.00 -37.46 -45.81 -29.43 . . 0 "[ . 1 . 2]"
180 . 1 123 LYS N 1 123 LYS CA 1 123 LYS C 1 124 ILE N -58.00 -18.00 -33.94 -38.10 -30.62 . . 0 "[ . 1 . 2]"
181 . 1 124 ILE N 1 124 ILE CA 1 124 ILE C 1 125 GLN N -51.00 -25.00 -24.71 -23.17 -24.27 4.62 7 0 "[ . 1 . 2]"
182 . 1 125 GLN N 1 125 GLN CA 1 125 GLN C 1 126 LYS N -58.00 -18.00 -38.89 -36.06 -45.46 . . 0 "[ . 1 . 2]"
183 . 1 126 LYS N 1 126 LYS CA 1 126 LYS C 1 127 GLU N -56.00 -16.00 -31.16 -44.82 -13.60 2.40 13 0 "[ . 1 . 2]"
184 . 1 127 GLU N 1 127 GLU CA 1 127 GLU C 1 128 THR N -55.00 -15.00 -21.05 -43.97 -6.23 8.77 17 3 "[* - 1 . + 2]"
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