NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
477007 |
2l1c   |
17080 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2l1c
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 218
_TA_constraint_stats_list.Viol_count 374
_TA_constraint_stats_list.Viol_total 5377.36
_TA_constraint_stats_list.Viol_max 4.32
_TA_constraint_stats_list.Viol_rms 0.39
_TA_constraint_stats_list.Viol_average_all_restraints 0.11
_TA_constraint_stats_list.Viol_average_violations_only 0.96
_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 21 GLY C 1 22 GLN N 1 22 GLN CA 1 22 GLN C -161.00 -44.80 -107.97 -114.29 -130.44 . . 0 "[ . 1 .]"
2 . 1 22 GLN N 1 22 GLN CA 1 22 GLN C 1 23 LEU N 103.90 171.10 140.31 135.95 110.62 1.97 11 0 "[ . 1 .]"
3 . 1 22 GLN C 1 23 LEU N 1 23 LEU CA 1 23 LEU C -161.30 -24.00 -111.01 -129.87 -86.26 . . 0 "[ . 1 .]"
4 . 1 23 LEU N 1 23 LEU CA 1 23 LEU C 1 24 GLY N 85.20 179.30 113.68 161.71 125.53 1.32 9 0 "[ . 1 .]"
5 . 1 24 GLY C 1 25 GLY N 1 25 GLY CA 1 25 GLY C 75.60 -144.40 177.92 76.04 -142.87 1.53 13 0 "[ . 1 .]"
6 . 1 25 GLY N 1 25 GLY CA 1 25 GLY C 1 26 GLU N 107.90 -112.10 112.75 106.32 -110.12 1.98 1 0 "[ . 1 .]"
7 . 1 25 GLY C 1 26 GLU N 1 26 GLU CA 1 26 GLU C -162.60 -46.10 -119.22 -125.03 -131.96 . . 0 "[ . 1 .]"
8 . 1 26 GLU N 1 26 GLU CA 1 26 GLU C 1 27 GLU N 79.40 -169.80 140.47 135.94 132.44 . . 0 "[ . 1 .]"
9 . 1 28 TRP C 1 29 THR N 1 29 THR CA 1 29 THR C -174.50 -34.50 -134.97 -164.94 -110.34 . . 0 "[ . 1 .]"
10 . 1 29 THR N 1 29 THR CA 1 29 THR C 1 30 ARG N 66.70 -153.30 114.20 160.98 143.23 2.57 9 0 "[ . 1 .]"
11 . 1 32 GLY C 1 33 SER N 1 33 SER CA 1 33 SER C -95.20 -46.70 -78.98 -57.26 -71.20 . . 0 "[ . 1 .]"
12 . 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 PHE N 116.00 156.00 121.65 114.05 140.64 1.95 5 0 "[ . 1 .]"
13 . 1 33 SER C 1 34 PHE N 1 34 PHE CA 1 34 PHE C -149.30 -38.50 -105.09 -84.98 -89.64 . . 0 "[ . 1 .]"
14 . 1 34 PHE N 1 34 PHE CA 1 34 PHE C 1 35 VAL N 104.30 168.10 116.64 117.92 115.55 1.75 13 0 "[ . 1 .]"
15 . 1 41 GLY C 1 42 TRP N 1 42 TRP CA 1 42 TRP C -159.10 -66.50 -109.48 -104.15 -107.27 . . 0 "[ . 1 .]"
16 . 1 42 TRP N 1 42 TRP CA 1 42 TRP C 1 43 LEU N 91.80 -152.70 170.01 -172.82 -178.61 . . 0 "[ . 1 .]"
17 . 1 46 ASN C 1 47 ASP N 1 47 ASP CA 1 47 ASP C -86.70 -46.70 -55.00 -51.23 -53.52 . . 0 "[ . 1 .]"
18 . 1 47 ASP C 1 48 LYS N 1 48 LYS CA 1 48 LYS C -104.30 -45.40 -77.45 -81.89 -71.47 . . 0 "[ . 1 .]"
19 . 1 48 LYS N 1 48 LYS CA 1 48 LYS C 1 49 VAL N -64.40 11.40 -55.96 -59.03 -52.20 . . 0 "[ . 1 .]"
20 . 1 48 LYS C 1 49 VAL N 1 49 VAL CA 1 49 VAL C -104.50 -40.60 -51.73 -50.10 -50.71 . . 0 "[ . 1 .]"
21 . 1 49 VAL N 1 49 VAL CA 1 49 VAL C 1 50 MET N -58.20 -12.70 -31.77 -33.67 -28.92 . . 0 "[ . 1 .]"
22 . 1 50 MET C 1 51 GLY N 1 51 GLY CA 1 51 GLY C 144.90 -75.10 -105.03 -128.46 -93.62 . . 0 "[ . 1 .]"
23 . 1 54 VAL N 1 54 VAL CA 1 54 VAL C 1 55 SER N 92.40 -163.80 156.89 151.57 161.44 . . 0 "[ . 1 .]"
24 . 1 54 VAL C 1 55 SER N 1 55 SER CA 1 55 SER C -146.80 -97.20 -136.29 -144.26 -129.95 . . 0 "[ . 1 .]"
25 . 1 55 SER N 1 55 SER CA 1 55 SER C 1 56 TYR N 126.40 172.60 129.42 125.42 136.78 0.98 3 0 "[ . 1 .]"
26 . 1 55 SER C 1 56 TYR N 1 56 TYR CA 1 56 TYR C -158.20 -118.20 -120.43 -118.40 -120.26 0.60 3 0 "[ . 1 .]"
27 . 1 56 TYR C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -165.40 -48.10 -91.62 -95.86 -86.11 . . 0 "[ . 1 .]"
28 . 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 VAL N 92.80 173.40 123.61 119.08 127.10 . . 0 "[ . 1 .]"
29 . 1 57 LEU C 1 58 VAL N 1 58 VAL CA 1 58 VAL C -174.80 -112.00 -137.97 -137.50 -138.17 . . 0 "[ . 1 .]"
30 . 1 58 VAL N 1 58 VAL CA 1 58 VAL C 1 59 ARG N 145.50 -174.50 161.70 162.13 161.72 . . 0 "[ . 1 .]"
31 . 1 58 VAL C 1 59 ARG N 1 59 ARG CA 1 59 ARG C -170.20 -86.40 -126.77 -125.41 -125.98 . . 0 "[ . 1 .]"
32 . 1 59 ARG N 1 59 ARG CA 1 59 ARG C 1 60 TYR N 105.40 149.70 118.64 113.90 122.60 . . 0 "[ . 1 .]"
33 . 1 60 TYR N 1 60 TYR CA 1 60 TYR C 1 61 MET N 57.00 -173.30 112.10 110.41 113.38 . . 0 "[ . 1 .]"
34 . 1 60 TYR C 1 61 MET N 1 61 MET CA 1 61 MET C -129.80 -78.20 -130.51 -130.42 -130.43 1.65 14 0 "[ . 1 .]"
35 . 1 62 GLY N 1 62 GLY CA 1 62 GLY C 1 63 CYS N 117.40 -154.70 162.22 161.53 159.65 . . 0 "[ . 1 .]"
36 . 1 62 GLY C 1 63 CYS N 1 63 CYS CA 1 63 CYS C -157.80 -117.80 -150.43 -157.79 -145.92 . . 0 "[ . 1 .]"
37 . 1 63 CYS N 1 63 CYS CA 1 63 CYS C 1 64 VAL N 136.30 -176.10 139.13 135.58 135.15 2.06 6 0 "[ . 1 .]"
38 . 1 63 CYS C 1 64 VAL N 1 64 VAL CA 1 64 VAL C -169.50 -95.90 -116.12 -112.29 -113.73 . . 0 "[ . 1 .]"
39 . 1 64 VAL N 1 64 VAL CA 1 64 VAL C 1 65 GLU N 102.90 160.20 123.41 115.11 128.64 . . 0 "[ . 1 .]"
40 . 1 64 VAL C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -172.70 -48.50 -80.85 -84.53 -87.17 . . 0 "[ . 1 .]"
41 . 1 65 GLU N 1 65 GLU CA 1 65 GLU C 1 66 VAL N 101.80 141.80 108.01 102.98 113.70 . . 0 "[ . 1 .]"
42 . 1 65 GLU C 1 66 VAL N 1 66 VAL CA 1 66 VAL C -164.70 -45.40 -107.45 -115.63 -97.64 . . 0 "[ . 1 .]"
43 . 1 66 VAL N 1 66 VAL CA 1 66 VAL C 1 67 LEU N 117.60 168.50 119.54 117.41 117.11 2.65 13 0 "[ . 1 .]"
44 . 1 67 LEU C 1 68 GLN N 1 68 GLN CA 1 68 GLN C 172.90 -108.30 -129.47 -142.27 -108.60 . . 0 "[ . 1 .]"
45 . 1 68 GLN N 1 68 GLN CA 1 68 GLN C 1 69 SER N 140.50 -177.30 164.72 140.04 -176.37 0.93 8 0 "[ . 1 .]"
46 . 1 68 GLN C 1 69 SER N 1 69 SER CA 1 69 SER C -160.30 -36.40 -128.64 -155.18 -96.48 . . 0 "[ . 1 .]"
47 . 1 69 SER C 1 70 MET N 1 70 MET CA 1 70 MET C -121.80 -38.40 -60.89 -58.01 -60.69 . . 0 "[ . 1 .]"
48 . 1 70 MET N 1 70 MET CA 1 70 MET C 1 71 ARG N -76.00 29.80 -41.17 -58.53 -25.95 . . 0 "[ . 1 .]"
49 . 1 72 ALA C 1 73 LEU N 1 73 LEU CA 1 73 LEU C -153.20 -80.70 -123.90 -138.61 -96.84 . . 0 "[ . 1 .]"
50 . 1 73 LEU N 1 73 LEU CA 1 73 LEU C 1 74 ASP N 116.90 171.20 157.83 166.72 163.66 . . 0 "[ . 1 .]"
51 . 1 73 LEU C 1 74 ASP N 1 74 ASP CA 1 74 ASP C -150.40 -71.20 -77.59 -83.62 -70.51 0.69 13 0 "[ . 1 .]"
52 . 1 74 ASP N 1 74 ASP CA 1 74 ASP C 1 75 PHE N 73.90 159.90 156.40 155.87 154.43 0.75 3 0 "[ . 1 .]"
53 . 1 74 ASP C 1 75 PHE N 1 75 PHE CA 1 75 PHE C -104.10 -34.40 -57.33 -51.89 -54.24 . . 0 "[ . 1 .]"
54 . 1 75 PHE N 1 75 PHE CA 1 75 PHE C 1 76 ASN N -68.70 14.60 -39.88 -47.52 -29.48 . . 0 "[ . 1 .]"
55 . 1 76 ASN C 1 77 THR N 1 77 THR CA 1 77 THR C -84.60 -44.60 -52.43 -51.33 -51.90 . . 0 "[ . 1 .]"
56 . 1 77 THR C 1 78 ARG N 1 78 ARG CA 1 78 ARG C -80.50 -40.50 -60.46 -58.70 -60.51 . . 0 "[ . 1 .]"
57 . 1 78 ARG N 1 78 ARG CA 1 78 ARG C 1 79 THR N -65.70 -9.70 -40.56 -47.74 -33.73 . . 0 "[ . 1 .]"
58 . 1 78 ARG C 1 79 THR N 1 79 THR CA 1 79 THR C -82.80 -42.80 -70.87 -71.05 -72.74 . . 0 "[ . 1 .]"
59 . 1 79 THR N 1 79 THR CA 1 79 THR C 1 80 GLN N -60.60 -20.60 -28.62 -29.58 -29.73 . . 0 "[ . 1 .]"
60 . 1 79 THR C 1 80 GLN N 1 80 GLN CA 1 80 GLN C -84.00 -44.00 -78.99 -84.11 -62.77 0.11 11 0 "[ . 1 .]"
61 . 1 80 GLN N 1 80 GLN CA 1 80 GLN C 1 81 VAL N -65.10 -25.10 -44.56 -50.88 -40.21 . . 0 "[ . 1 .]"
62 . 1 80 GLN C 1 81 VAL N 1 81 VAL CA 1 81 VAL C -88.50 -45.40 -62.61 -61.46 -62.16 . . 0 "[ . 1 .]"
63 . 1 81 VAL N 1 81 VAL CA 1 81 VAL C 1 82 THR N -67.10 -27.10 -36.53 -36.84 -36.91 . . 0 "[ . 1 .]"
64 . 1 81 VAL C 1 82 THR N 1 82 THR CA 1 82 THR C -84.70 -44.70 -71.37 -75.16 -67.64 . . 0 "[ . 1 .]"
65 . 1 82 THR N 1 82 THR CA 1 82 THR C 1 83 ARG N -63.80 0.50 -51.31 -47.31 -49.87 . . 0 "[ . 1 .]"
66 . 1 82 THR C 1 83 ARG N 1 83 ARG CA 1 83 ARG C -90.60 -44.10 -64.86 -70.97 -61.24 . . 0 "[ . 1 .]"
67 . 1 83 ARG N 1 83 ARG CA 1 83 ARG C 1 84 GLU N -52.20 -8.30 -31.99 -28.18 -31.12 . . 0 "[ . 1 .]"
68 . 1 83 ARG C 1 84 GLU N 1 84 GLU CA 1 84 GLU C -85.60 -45.60 -52.27 -56.95 -48.40 . . 0 "[ . 1 .]"
69 . 1 84 GLU N 1 84 GLU CA 1 84 GLU C 1 85 ALA N -58.90 -5.70 -57.08 -56.03 -56.60 1.11 6 0 "[ . 1 .]"
70 . 1 84 GLU C 1 85 ALA N 1 85 ALA CA 1 85 ALA C -82.80 -42.80 -50.17 -49.74 -49.99 . . 0 "[ . 1 .]"
71 . 1 85 ALA N 1 85 ALA CA 1 85 ALA C 1 86 ILE N -62.40 -22.40 -58.68 -60.62 -56.56 . . 0 "[ . 1 .]"
72 . 1 85 ALA C 1 86 ILE N 1 86 ILE CA 1 86 ILE C -84.10 -44.10 -57.27 -57.17 -57.96 . . 0 "[ . 1 .]"
73 . 1 86 ILE N 1 86 ILE CA 1 86 ILE C 1 87 SER N -62.80 -22.80 -29.30 -28.80 -28.87 . . 0 "[ . 1 .]"
74 . 1 86 ILE C 1 87 SER N 1 87 SER CA 1 87 SER C -82.50 -42.50 -77.22 -77.81 -78.21 . . 0 "[ . 1 .]"
75 . 1 87 SER C 1 88 LEU N 1 88 LEU CA 1 88 LEU C -82.80 -42.80 -64.35 -66.40 -62.59 . . 0 "[ . 1 .]"
76 . 1 88 LEU N 1 88 LEU CA 1 88 LEU C 1 89 VAL N -65.50 -25.50 -24.94 -27.22 -24.21 1.29 4 0 "[ . 1 .]"
77 . 1 88 LEU C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -85.50 -43.40 -66.72 -64.77 -65.25 . . 0 "[ . 1 .]"
78 . 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 CYS N -65.90 -5.80 -57.54 -60.21 -55.94 . . 0 "[ . 1 .]"
79 . 1 89 VAL C 1 90 CYS N 1 90 CYS CA 1 90 CYS C -85.50 -45.50 -67.43 -70.21 -65.42 . . 0 "[ . 1 .]"
80 . 1 90 CYS N 1 90 CYS CA 1 90 CYS C 1 91 GLU N -52.00 -12.00 -21.48 -23.56 -25.35 . . 0 "[ . 1 .]"
81 . 1 90 CYS C 1 91 GLU N 1 91 GLU CA 1 91 GLU C -119.40 -58.30 -101.93 -106.95 -95.62 . . 0 "[ . 1 .]"
82 . 1 91 GLU N 1 91 GLU CA 1 91 GLU C 1 92 ALA N -79.20 34.60 16.24 17.22 16.42 . . 0 "[ . 1 .]"
83 . 1 92 ALA C 1 93 VAL N 1 93 VAL CA 1 93 VAL C -150.70 -52.30 -75.53 -79.68 -67.48 . . 0 "[ . 1 .]"
84 . 1 93 VAL N 1 93 VAL CA 1 93 VAL C 1 94 PRO N 102.90 166.50 158.94 159.04 158.67 . . 0 "[ . 1 .]"
85 . 1 94 PRO N 1 94 PRO CA 1 94 PRO C 1 95 GLY N 132.20 173.70 154.09 148.13 158.53 . . 0 "[ . 1 .]"
86 . 1 95 GLY C 1 96 ALA N 1 96 ALA CA 1 96 ALA C -132.20 -33.10 -60.68 -68.11 -54.82 . . 0 "[ . 1 .]"
87 . 1 96 ALA N 1 96 ALA CA 1 96 ALA C 1 97 LYS N 79.20 -140.80 147.83 145.75 143.00 . . 0 "[ . 1 .]"
88 . 1 97 LYS C 1 98 GLY N 1 98 GLY CA 1 98 GLY C 132.90 -87.10 -137.31 -165.64 -111.16 . . 0 "[ . 1 .]"
89 . 1 98 GLY N 1 98 GLY CA 1 98 GLY C 1 99 ALA N 105.90 -135.70 108.69 106.81 105.76 1.62 1 0 "[ . 1 .]"
90 . 1 98 GLY C 1 99 ALA N 1 99 ALA CA 1 99 ALA C -148.80 -56.40 -121.68 -125.27 -129.12 . . 0 "[ . 1 .]"
91 . 1 99 ALA N 1 99 ALA CA 1 99 ALA C 1 100 THR N 54.50 -165.50 129.15 117.05 145.61 . . 0 "[ . 1 .]"
92 . 1 101 ARG C 1 102 ARG N 1 102 ARG CA 1 102 ARG C -143.80 -56.70 -122.04 -127.13 -131.94 . . 0 "[ . 1 .]"
93 . 1 102 ARG N 1 102 ARG CA 1 102 ARG C 1 103 ARG N 100.60 151.70 102.60 104.19 102.65 1.73 6 0 "[ . 1 .]"
94 . 1 102 ARG C 1 103 ARG N 1 103 ARG CA 1 103 ARG C -150.10 -67.20 -136.39 -147.39 -121.95 . . 0 "[ . 1 .]"
95 . 1 103 ARG N 1 103 ARG CA 1 103 ARG C 1 104 LYS N 74.50 165.40 113.62 96.83 127.92 . . 0 "[ . 1 .]"
96 . 1 103 ARG C 1 104 LYS N 1 104 LYS CA 1 104 LYS C -137.80 -46.90 -72.66 -91.11 -57.61 . . 0 "[ . 1 .]"
97 . 1 104 LYS N 1 104 LYS CA 1 104 LYS C 1 105 PRO N 90.50 173.40 120.41 125.69 119.65 . . 0 "[ . 1 .]"
98 . 1 105 PRO C 1 106 CYS N 1 106 CYS CA 1 106 CYS C -164.20 -62.10 -91.28 -77.62 -88.43 0.55 10 0 "[ . 1 .]"
99 . 1 106 CYS N 1 106 CYS CA 1 106 CYS C 1 107 SER N 70.10 175.70 103.17 108.32 85.81 2.13 6 0 "[ . 1 .]"
100 . 1 106 CYS C 1 107 SER N 1 107 SER CA 1 107 SER C -160.00 -20.00 -121.82 -117.22 -142.24 . . 0 "[ . 1 .]"
101 . 1 107 SER N 1 107 SER CA 1 107 SER C 1 108 ARG N 60.90 -159.10 119.24 57.34 -170.15 3.56 2 0 "[ . 1 .]"
102 . 1 107 SER C 1 108 ARG N 1 108 ARG CA 1 108 ARG C -147.90 -59.00 -113.21 -151.53 -60.84 3.63 15 0 "[ . 1 .]"
103 . 1 108 ARG N 1 108 ARG CA 1 108 ARG C 1 109 PRO N 71.70 -169.70 162.94 164.34 162.26 . . 0 "[ . 1 .]"
104 . 1 112 SER C 1 113 ILE N 1 113 ILE CA 1 113 ILE C -97.20 -49.10 -76.21 -72.57 -73.06 . . 0 "[ . 1 .]"
105 . 1 113 ILE N 1 113 ILE CA 1 113 ILE C 1 114 LEU N -54.40 -5.30 -45.82 -54.66 -37.19 0.26 9 0 "[ . 1 .]"
106 . 1 113 ILE C 1 114 LEU N 1 114 LEU CA 1 114 LEU C -162.70 -77.30 -100.37 -99.14 -100.70 . . 0 "[ . 1 .]"
107 . 1 116 ARG N 1 116 ARG CA 1 116 ARG C 1 117 SER N 80.00 168.70 158.83 160.49 159.80 . . 0 "[ . 1 .]"
108 . 1 116 ARG C 1 117 SER N 1 117 SER CA 1 117 SER C -159.30 -83.20 -83.17 -83.73 -85.07 1.47 2 0 "[ . 1 .]"
109 . 1 117 SER N 1 117 SER CA 1 117 SER C 1 118 ASN N 110.50 169.30 117.85 109.37 126.07 1.13 8 0 "[ . 1 .]"
110 . 1 117 SER C 1 118 ASN N 1 118 ASN CA 1 118 ASN C -132.80 -52.60 -112.45 -110.12 -113.20 . . 0 "[ . 1 .]"
111 . 1 118 ASN C 1 119 LEU N 1 119 LEU CA 1 119 LEU C -131.10 -55.00 -82.55 -82.73 -83.66 . . 0 "[ . 1 .]"
112 . 1 119 LEU N 1 119 LEU CA 1 119 LEU C 1 120 LYS N 64.60 138.50 69.77 62.65 78.86 1.95 15 0 "[ . 1 .]"
113 . 1 120 LYS C 1 121 PHE N 1 121 PHE CA 1 121 PHE C -116.00 -69.00 -89.21 -95.40 -82.69 . . 0 "[ . 1 .]"
114 . 1 121 PHE C 1 122 ALA N 1 122 ALA CA 1 122 ALA C -143.70 -3.70 -130.02 -135.87 -124.95 . . 0 "[ . 1 .]"
115 . 1 122 ALA N 1 122 ALA CA 1 122 ALA C 1 123 GLY N 97.60 -176.80 124.42 114.88 135.54 . . 0 "[ . 1 .]"
116 . 1 123 GLY C 1 124 MET N 1 124 MET CA 1 124 MET C -151.90 -49.80 -121.94 -130.40 -107.71 . . 0 "[ . 1 .]"
117 . 1 124 MET N 1 124 MET CA 1 124 MET C 1 125 PRO N 113.90 159.70 119.21 121.62 120.72 . . 0 "[ . 1 .]"
118 . 1 125 PRO N 1 125 PRO CA 1 125 PRO C 1 126 ILE N 91.60 -170.10 130.39 127.98 132.65 . . 0 "[ . 1 .]"
119 . 1 125 PRO C 1 126 ILE N 1 126 ILE CA 1 126 ILE C -161.30 -99.60 -136.94 -135.50 -136.25 . . 0 "[ . 1 .]"
120 . 1 126 ILE N 1 126 ILE CA 1 126 ILE C 1 127 THR N 134.30 -173.40 -179.29 177.32 -176.51 . . 0 "[ . 1 .]"
121 . 1 126 ILE C 1 127 THR N 1 127 THR CA 1 127 THR C -150.50 -63.10 -138.23 -138.85 -140.08 . . 0 "[ . 1 .]"
122 . 1 127 THR N 1 127 THR CA 1 127 THR C 1 128 LEU N 89.10 151.90 115.61 113.51 118.31 . . 0 "[ . 1 .]"
123 . 1 127 THR C 1 128 LEU N 1 128 LEU CA 1 128 LEU C -142.60 -74.00 -73.34 -73.26 -73.33 1.23 2 0 "[ . 1 .]"
124 . 1 128 LEU N 1 128 LEU CA 1 128 LEU C 1 129 THR N 92.50 151.70 106.98 102.09 110.28 . . 0 "[ . 1 .]"
125 . 1 128 LEU C 1 129 THR N 1 129 THR CA 1 129 THR C -130.50 -87.70 -105.33 -103.53 -104.65 . . 0 "[ . 1 .]"
126 . 1 129 THR N 1 129 THR CA 1 129 THR C 1 130 VAL N 101.90 141.90 110.83 108.32 117.17 . . 0 "[ . 1 .]"
127 . 1 129 THR C 1 130 VAL N 1 130 VAL CA 1 130 VAL C -133.20 -93.20 -94.72 -94.49 -95.52 0.65 2 0 "[ . 1 .]"
128 . 1 130 VAL N 1 130 VAL CA 1 130 VAL C 1 131 SER N 103.20 158.10 128.94 121.16 142.97 . . 0 "[ . 1 .]"
129 . 1 130 VAL C 1 131 SER N 1 131 SER CA 1 131 SER C -167.00 -83.30 -137.59 -131.84 -136.24 . . 0 "[ . 1 .]"
130 . 1 131 SER N 1 131 SER CA 1 131 SER C 1 132 THR N 145.10 -158.50 148.11 144.77 152.75 0.33 14 0 "[ . 1 .]"
131 . 1 132 THR C 1 133 SER N 1 133 SER CA 1 133 SER C -127.30 -70.90 -127.19 -130.02 -119.78 2.72 13 0 "[ . 1 .]"
132 . 1 133 SER N 1 133 SER CA 1 133 SER C 1 134 SER N -51.10 33.90 14.33 -0.87 26.68 . . 0 "[ . 1 .]"
133 . 1 134 SER C 1 135 LEU N 1 135 LEU CA 1 135 LEU C -156.60 -80.80 -147.24 -146.51 -147.96 . . 0 "[ . 1 .]"
134 . 1 135 LEU C 1 136 ASN N 1 136 ASN CA 1 136 ASN C -173.90 -89.60 -116.34 -111.92 -113.34 . . 0 "[ . 1 .]"
135 . 1 136 ASN N 1 136 ASN CA 1 136 ASN C 1 137 LEU N 110.70 156.60 155.75 145.88 158.06 1.46 5 0 "[ . 1 .]"
136 . 1 136 ASN C 1 137 LEU N 1 137 LEU CA 1 137 LEU C -140.40 -82.40 -115.54 -113.65 -114.90 . . 0 "[ . 1 .]"
137 . 1 137 LEU C 1 138 MET N 1 138 MET CA 1 138 MET C -159.50 -84.20 -90.92 -89.38 -90.34 . . 0 "[ . 1 .]"
138 . 1 138 MET N 1 138 MET CA 1 138 MET C 1 139 ALA N 90.90 170.70 121.32 117.92 126.76 . . 0 "[ . 1 .]"
139 . 1 138 MET C 1 139 ALA N 1 139 ALA CA 1 139 ALA C -128.60 -54.40 -65.85 -65.59 -66.17 . . 0 "[ . 1 .]"
140 . 1 139 ALA N 1 139 ALA CA 1 139 ALA C 1 140 ALA N 98.60 155.00 111.52 111.26 111.02 . . 0 "[ . 1 .]"
141 . 1 139 ALA C 1 140 ALA N 1 140 ALA CA 1 140 ALA C -114.00 -47.10 -75.71 -72.27 -73.31 . . 0 "[ . 1 .]"
142 . 1 140 ALA N 1 140 ALA CA 1 140 ALA C 1 141 ASP N -60.90 -2.80 -6.48 -14.28 -1.80 1.00 7 0 "[ . 1 .]"
143 . 1 140 ALA C 1 141 ASP N 1 141 ASP CA 1 141 ASP C -104.60 -51.00 -73.69 -71.54 -75.07 . . 0 "[ . 1 .]"
144 . 1 141 ASP N 1 141 ASP CA 1 141 ASP C 1 142 CYS N -51.50 23.40 -3.28 -14.89 7.47 . . 0 "[ . 1 .]"
145 . 1 142 CYS C 1 143 LYS N 1 143 LYS CA 1 143 LYS C -123.70 -45.70 -106.41 -91.00 -92.47 3.43 5 0 "[ . 1 .]"
146 . 1 144 GLN C 1 145 ILE N 1 145 ILE CA 1 145 ILE C -143.50 -52.10 -111.28 -119.29 -104.85 . . 0 "[ . 1 .]"
147 . 1 145 ILE N 1 145 ILE CA 1 145 ILE C 1 146 ILE N 49.00 -171.00 128.28 118.19 142.42 . . 0 "[ . 1 .]"
148 . 1 147 ALA C 1 148 ASN N 1 148 ASN CA 1 148 ASN C -147.00 -70.90 -115.47 -104.95 -112.50 . . 0 "[ . 1 .]"
149 . 1 148 ASN C 1 149 HIS N 1 149 HIS CA 1 149 HIS C -115.70 -75.70 -88.03 -95.24 -76.62 . . 0 "[ . 1 .]"
150 . 1 150 HIS N 1 150 HIS CA 1 150 HIS C 1 151 MET N 69.70 -150.30 117.81 135.56 110.90 . . 0 "[ . 1 .]"
151 . 1 150 HIS C 1 151 MET N 1 151 MET CA 1 151 MET C -81.80 -41.80 -69.12 -83.51 -52.86 1.71 12 0 "[ . 1 .]"
152 . 1 151 MET N 1 151 MET CA 1 151 MET C 1 152 GLN N -61.60 -9.30 -32.96 -35.73 -37.03 . . 0 "[ . 1 .]"
153 . 1 151 MET C 1 152 GLN N 1 152 GLN CA 1 152 GLN C -125.50 -49.20 -69.69 -62.48 -65.81 . . 0 "[ . 1 .]"
154 . 1 152 GLN N 1 152 GLN CA 1 152 GLN C 1 153 SER N -66.40 35.10 -9.33 -42.85 13.22 . . 0 "[ . 1 .]"
155 . 1 154 ILE N 1 154 ILE CA 1 154 ILE C 1 155 SER N 69.70 -169.60 -171.84 -173.32 -177.17 2.05 2 0 "[ . 1 .]"
156 . 1 154 ILE C 1 155 SER N 1 155 SER CA 1 155 SER C -159.40 -43.90 -142.35 -143.00 -145.07 . . 0 "[ . 1 .]"
157 . 1 157 ALA C 1 158 SER N 1 158 SER CA 1 158 SER C -151.80 -96.40 -95.71 -99.61 -93.89 2.51 10 0 "[ . 1 .]"
158 . 1 158 SER N 1 158 SER CA 1 158 SER C 1 159 GLY N 126.40 169.70 124.81 124.54 124.47 2.17 15 0 "[ . 1 .]"
159 . 1 159 GLY N 1 159 GLY CA 1 159 GLY C 1 160 GLY N 156.80 -150.40 -151.03 -156.95 -149.16 1.24 4 0 "[ . 1 .]"
160 . 1 162 PRO C 1 163 ASP N 1 163 ASP CA 1 163 ASP C -119.90 -58.90 -60.85 -57.04 -57.21 3.88 9 0 "[ . 1 .]"
161 . 1 163 ASP N 1 163 ASP CA 1 163 ASP C 1 164 THR N -47.30 39.40 -12.63 -24.17 -27.06 . . 0 "[ . 1 .]"
162 . 1 164 THR C 1 165 ALA N 1 165 ALA CA 1 165 ALA C -90.10 -32.90 -58.91 -58.39 -59.01 . . 0 "[ . 1 .]"
163 . 1 165 ALA N 1 165 ALA CA 1 165 ALA C 1 166 GLU N -56.60 -12.90 -19.41 -31.22 -12.08 0.82 14 0 "[ . 1 .]"
164 . 1 166 GLU C 1 167 TYR N 1 167 TYR CA 1 167 TYR C -154.40 -68.30 -131.98 -138.38 -125.13 . . 0 "[ . 1 .]"
165 . 1 167 TYR N 1 167 TYR CA 1 167 TYR C 1 168 VAL N 94.70 160.40 126.93 112.29 152.20 . . 0 "[ . 1 .]"
166 . 1 167 TYR C 1 168 VAL N 1 168 VAL CA 1 168 VAL C -154.40 -103.10 -106.70 -120.80 -101.42 1.68 9 0 "[ . 1 .]"
167 . 1 168 VAL N 1 168 VAL CA 1 168 VAL C 1 169 ALA N 124.60 164.60 163.34 163.78 163.31 0.46 13 0 "[ . 1 .]"
168 . 1 168 VAL C 1 169 ALA N 1 169 ALA CA 1 169 ALA C -151.60 -94.70 -152.81 -152.48 -152.71 2.26 14 0 "[ . 1 .]"
169 . 1 169 ALA N 1 169 ALA CA 1 169 ALA C 1 170 TYR N 122.50 170.40 149.39 141.91 156.42 . . 0 "[ . 1 .]"
170 . 1 169 ALA C 1 170 TYR N 1 170 TYR CA 1 170 TYR C -165.40 -90.30 -139.10 -148.14 -127.23 . . 0 "[ . 1 .]"
171 . 1 170 TYR N 1 170 TYR CA 1 170 TYR C 1 171 VAL N 121.10 161.10 135.23 129.59 139.38 . . 0 "[ . 1 .]"
172 . 1 171 VAL N 1 171 VAL CA 1 171 VAL C 1 172 ALA N 105.00 151.50 124.69 126.74 125.49 . . 0 "[ . 1 .]"
173 . 1 171 VAL C 1 172 ALA N 1 172 ALA CA 1 172 ALA C -160.40 -105.20 -143.92 -138.06 -140.07 . . 0 "[ . 1 .]"
174 . 1 172 ALA N 1 172 ALA CA 1 172 ALA C 1 173 LYS N 126.10 -168.30 177.31 -178.99 178.39 . . 0 "[ . 1 .]"
175 . 1 173 LYS C 1 174 ASP N 1 174 ASP CA 1 174 ASP C -172.60 -32.60 -86.92 -65.74 -79.29 . . 0 "[ . 1 .]"
176 . 1 174 ASP N 1 174 ASP CA 1 174 ASP C 1 175 PRO N 53.80 -171.80 136.07 118.04 165.27 . . 0 "[ . 1 .]"
177 . 1 175 PRO C 1 176 VAL N 1 176 VAL CA 1 176 VAL C -117.80 -46.70 -91.87 -95.88 -99.35 . . 0 "[ . 1 .]"
178 . 1 176 VAL N 1 176 VAL CA 1 176 VAL C 1 177 ASN N -70.80 16.30 -30.89 -31.05 -49.12 . . 0 "[ . 1 .]"
179 . 1 179 ARG N 1 179 ARG CA 1 179 ARG C 1 180 ALA N 77.70 174.90 147.55 127.05 159.31 . . 0 "[ . 1 .]"
180 . 1 179 ARG C 1 180 ALA N 1 180 ALA CA 1 180 ALA C -145.50 -75.80 -142.27 -144.83 -144.95 1.07 6 0 "[ . 1 .]"
181 . 1 180 ALA N 1 180 ALA CA 1 180 ALA C 1 181 CYS N 102.10 142.10 140.69 131.22 144.15 2.05 3 0 "[ . 1 .]"
182 . 1 181 CYS N 1 181 CYS CA 1 181 CYS C 1 182 HIS N 98.50 138.50 116.13 120.37 119.68 . . 0 "[ . 1 .]"
183 . 1 181 CYS C 1 182 HIS N 1 182 HIS CA 1 182 HIS C -144.50 -76.90 -106.94 -109.27 -109.50 . . 0 "[ . 1 .]"
184 . 1 182 HIS N 1 182 HIS CA 1 182 HIS C 1 183 ILE N 88.60 171.90 126.90 124.98 123.57 . . 0 "[ . 1 .]"
185 . 1 182 HIS C 1 183 ILE N 1 183 ILE CA 1 183 ILE C -162.90 -98.40 -98.52 -102.36 -97.36 1.04 4 0 "[ . 1 .]"
186 . 1 183 ILE N 1 183 ILE CA 1 183 ILE C 1 184 LEU N 106.80 -170.10 131.02 124.78 136.64 . . 0 "[ . 1 .]"
187 . 1 183 ILE C 1 184 LEU N 1 184 LEU CA 1 184 LEU C -143.40 -87.90 -108.39 -113.63 -100.79 . . 0 "[ . 1 .]"
188 . 1 184 LEU N 1 184 LEU CA 1 184 LEU C 1 185 GLU N 109.50 152.20 128.10 124.83 131.07 . . 0 "[ . 1 .]"
189 . 1 184 LEU C 1 185 GLU N 1 185 GLU CA 1 185 GLU C -150.30 -65.70 -103.29 -100.65 -101.07 . . 0 "[ . 1 .]"
190 . 1 188 GLU C 1 189 GLY N 1 189 GLY CA 1 189 GLY C 63.80 126.50 112.71 97.33 124.47 . . 0 "[ . 1 .]"
191 . 1 189 GLY N 1 189 GLY CA 1 189 GLY C 1 190 LEU N -39.70 16.80 -9.89 -9.84 -10.60 . . 0 "[ . 1 .]"
192 . 1 190 LEU C 1 191 ALA N 1 191 ALA CA 1 191 ALA C -76.40 -35.40 -48.31 -50.05 -46.66 . . 0 "[ . 1 .]"
193 . 1 191 ALA C 1 192 GLN N 1 192 GLN CA 1 192 GLN C -87.70 -47.70 -68.21 -70.86 -66.08 . . 0 "[ . 1 .]"
194 . 1 192 GLN N 1 192 GLN CA 1 192 GLN C 1 193 ASP N -53.40 0.40 -28.86 -27.85 -28.20 . . 0 "[ . 1 .]"
195 . 1 192 GLN C 1 193 ASP N 1 193 ASP CA 1 193 ASP C -106.70 -38.80 -66.72 -69.99 -63.07 . . 0 "[ . 1 .]"
196 . 1 193 ASP N 1 193 ASP CA 1 193 ASP C 1 194 VAL N -69.70 5.10 -57.76 -57.50 -58.40 . . 0 "[ . 1 .]"
197 . 1 193 ASP C 1 194 VAL N 1 194 VAL CA 1 194 VAL C -87.70 -47.20 -62.40 -63.96 -60.86 . . 0 "[ . 1 .]"
198 . 1 194 VAL N 1 194 VAL CA 1 194 VAL C 1 195 ILE N -56.70 -16.70 -39.12 -40.46 -37.22 . . 0 "[ . 1 .]"
199 . 1 195 ILE C 1 196 SER N 1 196 SER CA 1 196 SER C -127.40 -28.20 -65.87 -72.13 -60.87 . . 0 "[ . 1 .]"
200 . 1 196 SER C 1 197 THR N 1 197 THR CA 1 197 THR C -100.30 -33.10 -62.75 -69.45 -58.93 . . 0 "[ . 1 .]"
201 . 1 197 THR N 1 197 THR CA 1 197 THR C 1 198 ILE N -63.60 8.70 -56.71 -60.04 -48.64 . . 0 "[ . 1 .]"
202 . 1 197 THR C 1 198 ILE N 1 198 ILE CA 1 198 ILE C -80.30 -40.30 -57.29 -57.26 -57.80 . . 0 "[ . 1 .]"
203 . 1 198 ILE N 1 198 ILE CA 1 198 ILE C 1 199 GLY N -57.90 -17.90 -43.92 -43.75 -46.78 . . 0 "[ . 1 .]"
204 . 1 198 ILE C 1 199 GLY N 1 199 GLY CA 1 199 GLY C -103.70 -53.20 -61.19 -58.16 -58.19 . . 0 "[ . 1 .]"
205 . 1 199 GLY N 1 199 GLY CA 1 199 GLY C 1 200 GLN N -55.80 13.30 -53.45 -57.02 -46.13 1.22 7 0 "[ . 1 .]"
206 . 1 199 GLY C 1 200 GLN N 1 200 GLN CA 1 200 GLN C -145.40 -31.80 -63.84 -65.13 -68.17 . . 0 "[ . 1 .]"
207 . 1 200 GLN N 1 200 GLN CA 1 200 GLN C 1 201 ALA N -68.20 42.90 -35.13 -52.91 -23.77 . . 0 "[ . 1 .]"
208 . 1 203 GLU C 1 204 LEU N 1 204 LEU CA 1 204 LEU C -112.70 -21.10 -75.15 -87.82 -59.86 . . 0 "[ . 1 .]"
209 . 1 204 LEU N 1 204 LEU CA 1 204 LEU C 1 205 ARG N -69.90 6.40 -14.10 -17.36 -22.47 0.34 12 0 "[ . 1 .]"
210 . 1 204 LEU C 1 205 ARG N 1 205 ARG CA 1 205 ARG C -124.70 -71.20 -113.00 -124.74 -125.79 2.02 15 0 "[ . 1 .]"
211 . 1 205 ARG N 1 205 ARG CA 1 205 ARG C 1 206 PHE N -37.70 29.80 -1.16 -39.71 30.51 2.01 4 0 "[ . 1 .]"
212 . 1 205 ARG C 1 206 PHE N 1 206 PHE CA 1 206 PHE C -131.90 -81.30 -103.20 -80.72 -81.82 4.32 14 0 "[ . 1 .]"
213 . 1 206 PHE N 1 206 PHE CA 1 206 PHE C 1 207 LYS N 106.90 163.90 148.67 138.22 124.47 2.16 9 0 "[ . 1 .]"
214 . 1 206 PHE C 1 207 LYS N 1 207 LYS CA 1 207 LYS C -174.80 -34.80 -114.21 -152.38 -65.69 . . 0 "[ . 1 .]"
215 . 1 208 GLN N 1 208 GLN CA 1 208 GLN C 1 209 TYR N -54.20 7.20 3.18 5.44 -0.81 3.57 4 0 "[ . 1 .]"
216 . 1 209 TYR N 1 209 TYR CA 1 209 TYR C 1 210 LEU N -19.50 39.90 -18.64 -21.79 -10.02 2.29 15 0 "[ . 1 .]"
217 . 1 209 TYR C 1 210 LEU N 1 210 LEU CA 1 210 LEU C -170.10 -42.90 -140.91 -137.94 -142.00 . . 0 "[ . 1 .]"
218 . 1 210 LEU N 1 210 LEU CA 1 210 LEU C 1 211 ARG N 47.90 -172.10 179.83 -177.89 179.95 1.28 8 0 "[ . 1 .]"
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