NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
542621 |
2lsl   |
18435 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lsl
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 222
_TA_constraint_stats_list.Viol_count 1872
_TA_constraint_stats_list.Viol_total 95066.80
_TA_constraint_stats_list.Viol_max 153.46
_TA_constraint_stats_list.Viol_rms 5.55
_TA_constraint_stats_list.Viol_average_all_restraints 1.07
_TA_constraint_stats_list.Viol_average_violations_only 2.54
_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 8 SER C 1 9 VAL N 1 9 VAL CA 1 9 VAL C -141.00 -75.00 -139.05 -144.38 -75.32 3.38 3 0 "[ . 1 . 2]"
2 . 1 9 VAL N 1 9 VAL CA 1 9 VAL C 1 10 SER N 126.00 164.00 145.32 149.18 139.19 0.99 20 0 "[ . 1 . 2]"
3 . 1 9 VAL C 1 10 SER N 1 10 SER CA 1 10 SER C -133.00 -63.00 -122.71 -123.35 -127.00 0.71 1 0 "[ . 1 . 2]"
4 . 1 10 SER N 1 10 SER CA 1 10 SER C 1 11 ILE N 99.00 161.00 129.11 130.64 128.66 3.06 3 0 "[ . 1 . 2]"
5 . 1 10 SER C 1 11 ILE N 1 11 ILE CA 1 11 ILE C -103.00 -61.00 -64.75 -97.59 -60.82 0.18 8 0 "[ . 1 . 2]"
6 . 1 11 ILE C 1 12 ASP N 1 12 ASP CA 1 12 ASP C -128.00 -98.00 -121.95 -129.04 -97.93 1.04 17 0 "[ . 1 . 2]"
7 . 1 12 ASP N 1 12 ASP CA 1 12 ASP C 1 13 VAL N 122.00 -176.00 151.06 141.40 -173.17 2.83 1 0 "[ . 1 . 2]"
8 . 1 12 ASP C 1 13 VAL N 1 13 VAL CA 1 13 VAL C -139.00 -107.00 -139.82 -140.84 -139.13 1.84 8 0 "[ . 1 . 2]"
9 . 1 13 VAL N 1 13 VAL CA 1 13 VAL C 1 14 GLU N 121.00 151.00 147.91 142.48 151.87 0.87 20 0 "[ . 1 . 2]"
10 . 1 13 VAL C 1 14 GLU N 1 14 GLU CA 1 14 GLU C -135.00 -105.00 -136.20 -136.13 -136.25 1.94 13 0 "[ . 1 . 2]"
11 . 1 14 GLU N 1 14 GLU CA 1 14 GLU C 1 15 ILE N 137.00 159.00 153.62 153.48 152.02 0.68 18 0 "[ . 1 . 2]"
12 . 1 14 GLU C 1 15 ILE N 1 15 ILE CA 1 15 ILE C -106.00 -70.00 -99.89 -107.54 -79.71 1.54 10 0 "[ . 1 . 2]"
13 . 1 15 ILE N 1 15 ILE CA 1 15 ILE C 1 16 LYS N 122.00 -178.00 173.45 163.41 -177.00 1.00 9 0 "[ . 1 . 2]"
14 . 1 15 ILE C 1 16 LYS N 1 16 LYS CA 1 16 LYS C -122.00 -72.00 -96.15 -108.08 -71.30 0.70 8 0 "[ . 1 . 2]"
15 . 1 16 LYS N 1 16 LYS CA 1 16 LYS C 1 17 GLN N 126.00 172.00 141.22 124.19 154.68 1.81 8 0 "[ . 1 . 2]"
16 . 1 16 LYS C 1 17 GLN N 1 17 GLN CA 1 17 GLN C -103.00 -61.00 -102.13 -103.18 -103.54 3.98 8 0 "[ . 1 . 2]"
17 . 1 17 GLN C 1 18 ASN N 1 18 ASN CA 1 18 ASN C -84.00 -60.00 -63.97 -63.41 -63.98 0.33 17 0 "[ . 1 . 2]"
18 . 1 18 ASN N 1 18 ASN CA 1 18 ASN C 1 19 CYS N -40.00 -20.00 -27.31 -34.59 -17.48 2.52 20 0 "[ . 1 . 2]"
19 . 1 18 ASN C 1 19 CYS N 1 19 CYS CA 1 19 CYS C -103.00 -59.00 -61.89 -62.11 -62.64 . . 0 "[ . 1 . 2]"
20 . 1 19 CYS N 1 19 CYS CA 1 19 CYS C 1 20 LEU N -1.00 21.00 23.04 22.93 22.63 3.54 14 0 "[ . 1 . 2]"
21 . 1 19 CYS C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -143.00 -85.00 -134.28 -140.21 -129.12 . . 0 "[ . 1 . 2]"
22 . 1 20 LEU C 1 21 ILE N 1 21 ILE CA 1 21 ILE C -168.00 -148.00 -155.96 -159.11 -150.54 . . 0 "[ . 1 . 2]"
23 . 1 21 ILE N 1 21 ILE CA 1 21 ILE C 1 22 LYS N 152.00 164.00 164.64 165.36 165.24 1.46 8 0 "[ . 1 . 2]"
24 . 1 21 ILE C 1 22 LYS N 1 22 LYS CA 1 22 LYS C -145.00 -117.00 -123.87 -126.03 -126.77 . . 0 "[ . 1 . 2]"
25 . 1 22 LYS N 1 22 LYS CA 1 22 LYS C 1 23 ILE N 122.00 140.00 139.19 140.32 139.98 0.89 11 0 "[ . 1 . 2]"
26 . 1 22 LYS C 1 23 ILE N 1 23 ILE CA 1 23 ILE C -137.00 -113.00 -131.67 -130.95 -131.38 . . 0 "[ . 1 . 2]"
27 . 1 23 ILE N 1 23 ILE CA 1 23 ILE C 1 24 ILE N 133.00 145.00 141.62 140.14 144.76 . . 0 "[ . 1 . 2]"
28 . 1 23 ILE C 1 24 ILE N 1 24 ILE CA 1 24 ILE C -140.00 -110.00 -117.12 -115.95 -116.89 . . 0 "[ . 1 . 2]"
29 . 1 24 ILE N 1 24 ILE CA 1 24 ILE C 1 25 ASN N 149.00 -173.00 -172.15 -174.18 -170.62 2.38 8 0 "[ . 1 . 2]"
30 . 1 24 ILE C 1 25 ASN N 1 25 ASN CA 1 25 ASN C 53.00 63.00 66.21 63.57 68.63 5.63 8 1 "[ . + 1 . 2]"
31 . 1 25 ASN N 1 25 ASN CA 1 25 ASN C 1 26 ILE N 43.00 59.00 62.34 61.00 63.81 4.81 8 0 "[ . 1 . 2]"
32 . 1 25 ASN C 1 26 ILE N 1 26 ILE CA 1 26 ILE C -97.00 -67.00 -73.21 -85.51 -65.50 1.50 8 0 "[ . 1 . 2]"
33 . 1 26 ILE N 1 26 ILE CA 1 26 ILE C 1 27 PRO N 121.00 139.00 126.41 123.56 122.42 0.68 6 0 "[ . 1 . 2]"
34 . 1 27 PRO N 1 27 PRO CA 1 27 PRO C 1 28 GLN N 139.00 149.00 144.45 143.37 142.52 0.72 3 0 "[ . 1 . 2]"
35 . 1 27 PRO C 1 28 GLN N 1 28 GLN CA 1 28 GLN C -62.00 -50.00 -50.50 -54.89 -48.60 1.40 20 0 "[ . 1 . 2]"
36 . 1 28 GLN N 1 28 GLN CA 1 28 GLN C 1 29 GLY N 108.00 140.00 125.07 124.29 123.17 . . 0 "[ . 1 . 2]"
37 . 1 28 GLN C 1 29 GLY N 1 29 GLY CA 1 29 GLY C 73.00 93.00 72.37 70.16 75.11 2.84 4 0 "[ . 1 . 2]"
38 . 1 29 GLY N 1 29 GLY CA 1 29 GLY C 1 30 THR N -50.00 -30.00 -50.92 -53.30 -48.32 3.30 16 0 "[ . 1 . 2]"
39 . 1 29 GLY C 1 30 THR N 1 30 THR CA 1 30 THR C -74.00 -34.00 -33.60 -33.44 -33.61 1.37 6 0 "[ . 1 . 2]"
40 . 1 30 THR N 1 30 THR CA 1 30 THR C 1 31 LEU N 118.00 132.00 124.94 124.90 124.20 1.42 13 0 "[ . 1 . 2]"
41 . 1 30 THR C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -94.00 -54.00 -93.24 -96.67 -89.39 2.67 13 0 "[ . 1 . 2]"
42 . 1 31 LEU C 1 32 LYS N 1 32 LYS CA 1 32 LYS C -75.00 -57.00 -61.51 -60.91 -61.92 0.50 20 0 "[ . 1 . 2]"
43 . 1 32 LYS N 1 32 LYS CA 1 32 LYS C 1 33 ALA N -42.00 -22.00 -21.95 -21.27 -21.40 1.65 15 0 "[ . 1 . 2]"
44 . 1 32 LYS C 1 33 ALA N 1 33 ALA CA 1 33 ALA C -61.00 -53.00 -57.17 -59.04 -59.89 0.14 9 0 "[ . 1 . 2]"
45 . 1 33 ALA N 1 33 ALA CA 1 33 ALA C 1 34 GLU N -45.00 -31.00 -47.25 -48.77 -45.93 3.77 8 0 "[ . 1 . 2]"
46 . 1 33 ALA C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -75.00 -63.00 -71.01 -69.42 -69.48 3.11 20 0 "[ . 1 . 2]"
47 . 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 VAL N -48.00 -34.00 -34.39 -43.25 -32.31 1.69 8 0 "[ . 1 . 2]"
48 . 1 34 GLU C 1 35 VAL N 1 35 VAL CA 1 35 VAL C -66.00 -58.00 -66.03 -66.76 -67.22 1.22 1 0 "[ . 1 . 2]"
49 . 1 35 VAL N 1 35 VAL CA 1 35 VAL C 1 36 VAL N -49.00 -41.00 -40.72 -40.63 -40.80 1.62 6 0 "[ . 1 . 2]"
50 . 1 35 VAL C 1 36 VAL N 1 36 VAL CA 1 36 VAL C -67.00 -55.00 -68.67 -69.28 -67.66 2.28 19 0 "[ . 1 . 2]"
51 . 1 36 VAL N 1 36 VAL CA 1 36 VAL C 1 37 LEU N -52.00 -36.00 -48.56 -49.41 -50.44 . . 0 "[ . 1 . 2]"
52 . 1 36 VAL C 1 37 LEU N 1 37 LEU CA 1 37 LEU C -67.00 -57.00 -56.70 -56.07 -56.17 1.49 20 0 "[ . 1 . 2]"
53 . 1 37 LEU N 1 37 LEU CA 1 37 LEU C 1 38 ALA N -51.00 -39.00 -40.99 -38.11 -38.23 2.98 14 0 "[ . 1 . 2]"
54 . 1 37 LEU C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -70.00 -58.00 -66.91 -71.16 -57.04 1.16 4 0 "[ . 1 . 2]"
55 . 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 VAL N -47.00 -31.00 -46.40 -48.43 -43.34 1.43 16 0 "[ . 1 . 2]"
56 . 1 38 ALA C 1 39 VAL N 1 39 VAL CA 1 39 VAL C -68.00 -58.00 -68.80 -68.71 -68.96 3.57 9 0 "[ . 1 . 2]"
57 . 1 39 VAL N 1 39 VAL CA 1 39 VAL C 1 40 ARG N -49.00 -33.00 -47.94 -50.44 -32.15 1.44 6 0 "[ . 1 . 2]"
58 . 1 39 VAL C 1 40 ARG N 1 40 ARG CA 1 40 ARG C -71.00 -57.00 -65.90 -71.47 -59.59 0.47 9 0 "[ . 1 . 2]"
59 . 1 40 ARG N 1 40 ARG CA 1 40 ARG C 1 41 HIS N -46.00 -34.00 -46.43 -46.68 -46.83 2.57 16 0 "[ . 1 . 2]"
60 . 1 40 ARG C 1 41 HIS N 1 41 HIS CA 1 41 HIS C -53.00 -37.00 -40.90 -42.50 -43.49 . . 0 "[ . 1 . 2]"
61 . 1 41 HIS N 1 41 HIS CA 1 41 HIS C 1 42 LEU N -41.00 -19.00 -24.31 -26.89 -20.98 . . 0 "[ . 1 . 2]"
62 . 1 41 HIS C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -68.00 -60.00 -59.11 -59.85 -57.98 2.02 1 0 "[ . 1 . 2]"
63 . 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 GLY N -79.00 -49.00 -79.53 -82.06 -78.52 3.06 16 0 "[ . 1 . 2]"
64 . 1 42 LEU C 1 43 GLY N 1 43 GLY CA 1 43 GLY C -151.00 -133.00 -154.20 -157.36 -152.50 6.36 16 1 "[ . 1 .+ 2]"
65 . 1 43 GLY N 1 43 GLY CA 1 43 GLY C 1 44 TYR N -30.00 6.00 10.99 10.62 10.16 6.10 17 11 "[ *.****1-* . +***]"
66 . 1 43 GLY C 1 44 TYR N 1 44 TYR CA 1 44 TYR C -149.00 -121.00 -151.64 -151.69 -152.13 3.97 16 0 "[ . 1 . 2]"
67 . 1 44 TYR N 1 44 TYR CA 1 44 TYR C 1 45 GLU N 142.00 170.00 167.14 164.86 169.68 . . 0 "[ . 1 . 2]"
68 . 1 44 TYR C 1 45 GLU N 1 45 GLU CA 1 45 GLU C -116.00 -70.00 -116.85 -118.04 -114.03 2.04 10 0 "[ . 1 . 2]"
69 . 1 45 GLU C 1 46 PHE N 1 46 PHE CA 1 46 PHE C -150.00 -122.00 -125.36 -121.54 -121.74 0.48 2 0 "[ . 1 . 2]"
70 . 1 46 PHE N 1 46 PHE CA 1 46 PHE C 1 47 TYR N 132.00 156.00 135.61 133.57 138.15 . . 0 "[ . 1 . 2]"
71 . 1 46 PHE C 1 47 TYR N 1 47 TYR CA 1 47 TYR C -101.00 -63.00 -60.21 -60.48 -60.79 3.83 15 0 "[ . 1 . 2]"
72 . 1 47 TYR N 1 47 TYR CA 1 47 TYR C 1 48 CYS N 113.00 143.00 117.07 114.36 120.42 . . 0 "[ . 1 . 2]"
73 . 1 47 TYR C 1 48 CYS N 1 48 CYS CA 1 48 CYS C -130.00 -104.00 -122.24 -123.07 -123.96 . . 0 "[ . 1 . 2]"
74 . 1 48 CYS N 1 48 CYS CA 1 48 CYS C 1 49 ASP N 130.00 148.00 140.80 138.98 143.57 . . 0 "[ . 1 . 2]"
75 . 1 48 CYS C 1 49 ASP N 1 49 ASP CA 1 49 ASP C -140.00 -108.00 -135.79 -137.38 -133.20 . . 0 "[ . 1 . 2]"
76 . 1 49 ASP N 1 49 ASP CA 1 49 ASP C 1 50 TYR N 128.00 140.00 136.63 130.08 140.77 0.77 13 0 "[ . 1 . 2]"
77 . 1 49 ASP C 1 50 TYR N 1 50 TYR CA 1 50 TYR C -133.00 -101.00 -100.41 -102.71 -98.93 2.07 13 0 "[ . 1 . 2]"
78 . 1 50 TYR N 1 50 TYR CA 1 50 TYR C 1 51 ILE N 117.00 137.00 135.40 130.90 138.01 1.01 12 0 "[ . 1 . 2]"
79 . 1 50 TYR C 1 51 ILE N 1 51 ILE CA 1 51 ILE C -148.00 -118.00 -150.31 -148.68 -149.34 3.84 11 0 "[ . 1 . 2]"
80 . 1 51 ILE N 1 51 ILE CA 1 51 ILE C 1 52 ASP N 110.00 136.00 135.11 122.34 137.74 1.74 10 0 "[ . 1 . 2]"
81 . 1 51 ILE C 1 52 ASP N 1 52 ASP CA 1 52 ASP C -90.00 -64.00 -84.02 -91.05 -76.25 1.05 6 0 "[ . 1 . 2]"
82 . 1 52 ASP N 1 52 ASP CA 1 52 ASP C 1 53 GLU N 143.00 171.00 153.90 139.89 174.60 3.60 1 0 "[ . 1 . 2]"
83 . 1 52 ASP C 1 53 GLU N 1 53 GLU CA 1 53 GLU C -71.00 -55.00 -65.82 -76.99 -52.34 5.99 12 1 "[ . 1 + . 2]"
84 . 1 53 GLU C 1 54 ASN N 1 54 ASN CA 1 54 ASN C -74.00 -58.00 -69.54 -68.27 -71.13 4.82 15 0 "[ . 1 . 2]"
85 . 1 54 ASN C 1 55 SER N 1 55 SER CA 1 55 SER C -68.00 -58.00 -60.98 -69.08 -52.62 5.38 15 1 "[ . 1 + 2]"
86 . 1 55 SER C 1 56 ASN N 1 56 ASN CA 1 56 ASN C -82.00 -56.00 -70.52 -68.74 -76.53 1.81 18 0 "[ . 1 . 2]"
87 . 1 56 ASN C 1 57 GLN N 1 57 GLN CA 1 57 GLN C -110.00 -54.00 -78.84 -114.27 -51.99 4.27 11 0 "[ . 1 . 2]"
88 . 1 57 GLN C 1 58 ILE N 1 58 ILE CA 1 58 ILE C -141.00 -73.00 -128.19 -141.65 -142.04 5.46 18 1 "[ . 1 . + 2]"
89 . 1 58 ILE N 1 58 ILE CA 1 58 ILE C 1 59 ASN N 123.00 165.00 145.06 158.14 156.98 0.50 16 0 "[ . 1 . 2]"
90 . 1 58 ILE C 1 59 ASN N 1 59 ASN CA 1 59 ASN C -137.00 -71.00 -92.83 -98.44 -108.12 3.48 12 0 "[ . 1 . 2]"
91 . 1 59 ASN N 1 59 ASN CA 1 59 ASN C 1 60 SER N 112.00 178.00 144.39 107.97 -178.21 4.03 3 0 "[ . 1 . 2]"
92 . 1 59 ASN C 1 60 SER N 1 60 SER CA 1 60 SER C -129.00 -61.00 -98.11 -74.88 -85.72 4.52 18 0 "[ . 1 . 2]"
93 . 1 60 SER N 1 60 SER CA 1 60 SER C 1 61 ASN N 16.00 150.00 172.16 171.21 151.51 78.73 13 12 "[ * **** * +*** -*]"
94 . 1 61 ASN C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -118.00 -64.00 -84.04 -88.45 -100.58 4.28 17 0 "[ . 1 . 2]"
95 . 1 62 LEU N 1 62 LEU CA 1 62 LEU C 1 63 ILE N 87.00 125.00 96.44 83.71 83.09 5.85 4 4 "[ +.- *1 * . 2]"
96 . 1 62 LEU C 1 63 ILE N 1 63 ILE CA 1 63 ILE C -150.00 -126.00 -152.27 -149.56 -150.37 5.78 19 2 "[ . 1 . -+2]"
97 . 1 63 ILE N 1 63 ILE CA 1 63 ILE C 1 64 GLN N 119.00 163.00 144.50 119.50 154.48 . . 0 "[ . 1 . 2]"
98 . 1 63 ILE C 1 64 GLN N 1 64 GLN CA 1 64 GLN C -142.00 -102.00 -143.91 -147.24 -136.39 5.24 18 1 "[ . 1 . + 2]"
99 . 1 64 GLN N 1 64 GLN CA 1 64 GLN C 1 65 GLN N 89.00 159.00 114.58 109.40 104.44 11.31 18 7 "[ - * * 1 * . +**]"
100 . 1 64 GLN C 1 65 GLN N 1 65 GLN CA 1 65 GLN C -76.00 -44.00 -67.95 -83.19 -39.11 7.19 20 5 "[ * - * 1 . *+]"
101 . 1 65 GLN C 1 66 ASP N 1 66 ASP CA 1 66 ASP C -80.00 -60.00 -67.08 -61.02 -66.94 5.17 19 1 "[ . 1 . +2]"
102 . 1 66 ASP N 1 66 ASP CA 1 66 ASP C 1 67 GLN N -48.00 -26.00 -45.61 -58.83 -29.22 10.83 2 3 "[ + . 1 -* 2]"
103 . 1 66 ASP C 1 67 GLN N 1 67 GLN CA 1 67 GLN C -120.00 -98.00 -110.07 -120.46 -121.18 5.82 9 2 "[ -. +1 . 2]"
104 . 1 67 GLN N 1 67 GLN CA 1 67 GLN C 1 68 HIS N 16.00 42.00 34.11 31.24 28.60 3.47 6 0 "[ . 1 . 2]"
105 . 1 67 GLN C 1 68 HIS N 1 68 HIS CA 1 68 HIS C -86.00 -66.00 -77.76 -65.49 -75.28 5.57 14 1 "[ . 1 +. 2]"
106 . 1 68 HIS N 1 68 HIS CA 1 68 HIS C 1 69 PRO N 122.00 138.00 134.27 121.22 141.82 3.82 1 0 "[ . 1 . 2]"
107 . 1 68 HIS C 1 69 PRO N 1 69 PRO CA 1 69 PRO C -75.00 -63.00 -66.51 -76.63 -59.51 3.49 1 0 "[ . 1 . 2]"
108 . 1 69 PRO N 1 69 PRO CA 1 69 PRO C 1 70 GLN N 146.00 160.00 148.69 142.06 161.54 3.94 18 0 "[ . 1 . 2]"
109 . 1 69 PRO C 1 70 GLN N 1 70 GLN CA 1 70 GLN C -98.00 -84.00 -91.24 -100.32 -80.45 3.55 12 0 "[ . 1 . 2]"
110 . 1 70 GLN N 1 70 GLN CA 1 70 GLN C 1 71 LEU N 157.00 -179.00 174.25 178.69 161.98 7.04 5 4 "[ + * 1 - . *]"
111 . 1 70 GLN C 1 71 LEU N 1 71 LEU CA 1 71 LEU C -68.00 -56.00 -61.49 -70.83 -51.94 4.06 8 0 "[ . 1 . 2]"
112 . 1 71 LEU C 1 72 ASN N 1 72 ASN CA 1 72 ASN C -72.00 -48.00 -66.74 -52.99 -60.10 3.35 16 0 "[ . 1 . 2]"
113 . 1 72 ASN C 1 73 ASP N 1 73 ASP CA 1 73 ASP C -81.00 -57.00 -73.02 -84.36 -56.73 3.36 14 0 "[ . 1 . 2]"
114 . 1 73 ASP C 1 74 LEU N 1 74 LEU CA 1 74 LEU C -117.00 -89.00 -103.89 -120.75 -86.77 3.75 17 0 "[ . 1 . 2]"
115 . 1 74 LEU C 1 75 LEU N 1 75 LEU CA 1 75 LEU C -112.00 -72.00 -90.76 -112.97 -69.54 2.46 12 0 "[ . 1 . 2]"
116 . 1 75 LEU N 1 75 LEU CA 1 75 LEU C 1 76 LYS N 136.00 160.00 157.81 137.20 164.13 4.13 3 0 "[ . 1 . 2]"
117 . 1 75 LEU C 1 76 LYS N 1 76 LYS CA 1 76 LYS C -122.00 -98.00 -106.59 -126.14 -96.77 4.14 12 0 "[ . 1 . 2]"
118 . 1 76 LYS N 1 76 LYS CA 1 76 LYS C 1 77 GLU N 137.00 161.00 142.83 136.82 150.01 0.18 3 0 "[ . 1 . 2]"
119 . 1 77 GLU N 1 77 GLU CA 1 77 GLU C 1 78 GLY N 108.00 136.00 126.75 133.32 121.99 6.61 11 4 "[ . 1+ - . **]"
120 . 1 78 GLY C 1 79 GLN N 1 79 GLN CA 1 79 GLN C -153.00 -133.00 -152.86 -154.87 -145.98 1.87 19 0 "[ . 1 . 2]"
121 . 1 79 GLN N 1 79 GLN CA 1 79 GLN C 1 80 ALA N 157.00 171.00 156.16 154.20 160.05 2.80 11 0 "[ . 1 . 2]"
122 . 1 79 GLN C 1 80 ALA N 1 80 ALA CA 1 80 ALA C -155.00 -125.00 -122.63 -121.83 -121.85 4.05 13 0 "[ . 1 . 2]"
123 . 1 80 ALA N 1 80 ALA CA 1 80 ALA C 1 81 MET N 128.00 156.00 148.94 147.88 146.60 . . 0 "[ . 1 . 2]"
124 . 1 80 ALA C 1 81 MET N 1 81 MET CA 1 81 MET C -130.00 -108.00 -106.84 -105.61 -106.01 2.43 2 0 "[ . 1 . 2]"
125 . 1 81 MET N 1 81 MET CA 1 81 MET C 1 82 ILE N 117.00 139.00 141.68 141.08 142.50 3.50 13 0 "[ . 1 . 2]"
126 . 1 83 ARG N 1 83 ARG CA 1 83 ARG C 1 84 PHE N 116.00 134.00 129.01 122.39 131.78 . . 0 "[ . 1 . 2]"
127 . 1 83 ARG C 1 84 PHE N 1 84 PHE CA 1 84 PHE C -98.00 -62.00 -95.99 -94.39 -95.18 0.47 20 0 "[ . 1 . 2]"
128 . 1 84 PHE N 1 84 PHE CA 1 84 PHE C 1 85 GLN N 135.00 159.00 154.57 157.28 157.06 1.07 13 0 "[ . 1 . 2]"
129 . 1 86 ASN C 1 87 SER N 1 87 SER CA 1 87 SER C -145.00 -25.00 -73.10 -84.78 -57.50 . . 0 "[ . 1 . 2]"
130 . 1 87 SER N 1 87 SER CA 1 87 SER C 1 88 ASP N -66.00 -14.00 -44.64 -44.62 -45.20 . . 0 "[ . 1 . 2]"
131 . 1 87 SER C 1 88 ASP N 1 88 ASP CA 1 88 ASP C -87.00 -47.00 -55.75 -55.52 -55.67 . . 0 "[ . 1 . 2]"
132 . 1 88 ASP N 1 88 ASP CA 1 88 ASP C 1 89 GLU N -58.00 -14.00 -43.49 -47.73 -39.95 . . 0 "[ . 1 . 2]"
133 . 1 88 ASP C 1 89 GLU N 1 89 GLU CA 1 89 GLU C -83.00 -43.00 -61.36 -63.21 -57.47 . . 0 "[ . 1 . 2]"
134 . 1 89 GLU N 1 89 GLU CA 1 89 GLU C 1 90 GLN N -61.00 -21.00 -59.31 -60.66 -57.64 . . 0 "[ . 1 . 2]"
135 . 1 89 GLU C 1 90 GLN N 1 90 GLN CA 1 90 GLN C -80.00 -40.00 -40.48 -41.83 -39.01 0.99 20 0 "[ . 1 . 2]"
136 . 1 90 GLN N 1 90 GLN CA 1 90 GLN C 1 91 ARG N -66.00 -26.00 -47.38 -50.18 -45.33 . . 0 "[ . 1 . 2]"
137 . 1 90 GLN C 1 91 ARG N 1 91 ARG CA 1 91 ARG C -81.00 -41.00 -54.44 -58.60 -52.26 . . 0 "[ . 1 . 2]"
138 . 1 91 ARG N 1 91 ARG CA 1 91 ARG C 1 92 LEU N -60.00 -20.00 -58.81 -62.58 -26.43 2.58 11 0 "[ . 1 . 2]"
139 . 1 91 ARG C 1 92 LEU N 1 92 LEU CA 1 92 LEU C -84.00 -44.00 -44.12 -77.45 -41.81 2.19 9 0 "[ . 1 . 2]"
140 . 1 92 LEU N 1 92 LEU CA 1 92 LEU C 1 93 ALA N -61.00 -21.00 -49.68 -50.19 -50.60 . . 0 "[ . 1 . 2]"
141 . 1 92 LEU C 1 93 ALA N 1 93 ALA CA 1 93 ALA C -84.00 -44.00 -60.66 -63.21 -58.46 . . 0 "[ . 1 . 2]"
142 . 1 93 ALA N 1 93 ALA CA 1 93 ALA C 1 94 ILE N -65.00 -25.00 -34.36 -29.18 -30.88 0.12 11 0 "[ . 1 . 2]"
143 . 1 93 ALA C 1 94 ILE N 1 94 ILE CA 1 94 ILE C -85.00 -45.00 -66.18 -77.32 -52.40 . . 0 "[ . 1 . 2]"
144 . 1 94 ILE N 1 94 ILE CA 1 94 ILE C 1 95 GLN N -63.00 -23.00 -60.32 -59.23 -60.06 0.53 8 0 "[ . 1 . 2]"
145 . 1 94 ILE C 1 95 GLN N 1 95 GLN CA 1 95 GLN C -81.00 -41.00 -46.08 -51.13 -43.61 . . 0 "[ . 1 . 2]"
146 . 1 95 GLN N 1 95 GLN CA 1 95 GLN C 1 96 LYS N -64.00 -24.00 -29.99 -30.00 -30.24 . . 0 "[ . 1 . 2]"
147 . 1 95 GLN C 1 96 LYS N 1 96 LYS CA 1 96 LYS C -89.00 -49.00 -75.08 -82.08 -69.68 . . 0 "[ . 1 . 2]"
148 . 1 96 LYS N 1 96 LYS CA 1 96 LYS C 1 97 LEU N -57.00 -17.00 -58.77 -59.38 -59.86 3.10 7 0 "[ . 1 . 2]"
149 . 1 96 LYS C 1 97 LEU N 1 97 LEU CA 1 97 LEU C -92.00 -36.00 -50.21 -61.80 -37.07 . . 0 "[ . 1 . 2]"
150 . 1 97 LEU N 1 97 LEU CA 1 97 LEU C 1 98 LEU N -61.00 -21.00 -40.05 -56.79 -20.76 0.24 11 0 "[ . 1 . 2]"
151 . 1 97 LEU C 1 98 LEU N 1 98 LEU CA 1 98 LEU C -83.00 -43.00 -54.53 -74.73 -42.89 0.11 13 0 "[ . 1 . 2]"
152 . 1 98 LEU N 1 98 LEU CA 1 98 LEU C 1 99 ASN N -57.00 -17.00 -46.11 -24.11 -36.74 0.84 20 0 "[ . 1 . 2]"
153 . 1 98 LEU C 1 99 ASN N 1 99 ASN CA 1 99 ASN C 63.00 89.00 70.64 61.83 88.92 1.17 20 0 "[ . 1 . 2]"
154 . 1 102 ASN C 1 103 ASN N 1 103 ASN CA 1 103 ASN C 55.00 81.00 65.20 70.01 65.28 . . 0 "[ . 1 . 2]"
155 . 1 103 ASN C 1 104 LYS N 1 104 LYS CA 1 104 LYS C -97.00 -61.00 -79.32 -96.44 -61.58 . . 0 "[ . 1 . 2]"
156 . 1 104 LYS C 1 105 LEU N 1 105 LEU CA 1 105 LEU C -81.00 -57.00 -66.41 -78.27 -56.70 0.30 19 0 "[ . 1 . 2]"
157 . 1 105 LEU N 1 105 LEU CA 1 105 LEU C 1 106 GLN N 121.00 139.00 134.32 123.49 140.68 1.68 9 0 "[ . 1 . 2]"
158 . 1 105 LEU C 1 106 GLN N 1 106 GLN CA 1 106 GLN C -140.00 -106.00 -138.38 -141.32 -103.06 2.94 20 0 "[ . 1 . 2]"
159 . 1 106 GLN N 1 106 GLN CA 1 106 GLN C 1 107 ILE N 145.00 167.00 144.33 142.99 155.26 2.01 13 0 "[ . 1 . 2]"
160 . 1 106 GLN C 1 107 ILE N 1 107 ILE CA 1 107 ILE C -148.00 -124.00 -149.41 -150.11 -147.77 2.11 18 0 "[ . 1 . 2]"
161 . 1 107 ILE N 1 107 ILE CA 1 107 ILE C 1 108 GLU N 131.00 145.00 145.75 145.32 143.29 1.67 13 0 "[ . 1 . 2]"
162 . 1 107 ILE C 1 108 GLU N 1 108 GLU CA 1 108 GLU C -115.00 -97.00 -102.07 -101.79 -101.96 . . 0 "[ . 1 . 2]"
163 . 1 108 GLU N 1 108 GLU CA 1 108 GLU C 1 109 ILE N 115.00 129.00 115.89 114.19 113.79 1.21 1 0 "[ . 1 . 2]"
164 . 1 108 GLU C 1 109 ILE N 1 109 ILE CA 1 109 ILE C -139.00 -117.00 -112.91 -113.28 -113.36 5.70 4 1 "[ +. 1 . 2]"
165 . 1 109 ILE N 1 109 ILE CA 1 109 ILE C 1 110 ARG N 120.00 132.00 131.92 131.98 131.73 0.68 15 0 "[ . 1 . 2]"
166 . 1 109 ILE C 1 110 ARG N 1 110 ARG CA 1 110 ARG C 46.00 56.00 57.96 54.91 59.41 3.41 1 0 "[ . 1 . 2]"
167 . 1 110 ARG N 1 110 ARG CA 1 110 ARG C 1 111 GLY N 36.00 44.00 39.38 38.50 38.38 . . 0 "[ . 1 . 2]"
168 . 1 110 ARG C 1 111 GLY N 1 111 GLY CA 1 111 GLY C 70.00 80.00 69.91 69.89 69.49 1.43 16 0 "[ . 1 . 2]"
169 . 1 111 GLY N 1 111 GLY CA 1 111 GLY C 1 112 GLN N -2.00 14.00 18.52 17.89 17.81 6.45 16 6 "[ * ** * 1 - .+ 2]"
170 . 1 111 GLY C 1 112 GLN N 1 112 GLN CA 1 112 GLN C -129.00 -117.00 -129.04 -129.77 -127.12 0.77 5 0 "[ . 1 . 2]"
171 . 1 112 GLN N 1 112 GLN CA 1 112 GLN C 1 113 ILE N 139.00 151.00 148.77 147.50 146.86 0.93 11 0 "[ . 1 . 2]"
172 . 1 112 GLN C 1 113 ILE N 1 113 ILE CA 1 113 ILE C -105.00 -81.00 -85.82 -83.81 -83.97 0.21 4 0 "[ . 1 . 2]"
173 . 1 113 ILE N 1 113 ILE CA 1 113 ILE C 1 114 CYS N 109.00 127.00 119.71 115.95 127.96 0.96 4 0 "[ . 1 . 2]"
174 . 1 113 ILE C 1 114 CYS N 1 114 CYS CA 1 114 CYS C -123.00 -81.00 -125.45 -127.14 -124.28 4.14 4 0 "[ . 1 . 2]"
175 . 1 114 CYS N 1 114 CYS CA 1 114 CYS C 1 115 ASP N 129.00 161.00 151.03 152.11 151.66 . . 0 "[ . 1 . 2]"
176 . 1 114 CYS C 1 115 ASP N 1 115 ASP CA 1 115 ASP C -133.00 -67.00 -98.43 -104.32 -91.57 . . 0 "[ . 1 . 2]"
177 . 1 115 ASP N 1 115 ASP CA 1 115 ASP C 1 116 VAL N 129.00 157.00 141.26 140.77 138.81 . . 0 "[ . 1 . 2]"
178 . 1 115 ASP C 1 116 VAL N 1 116 VAL CA 1 116 VAL C -142.00 -118.00 -131.72 -137.62 -120.98 . . 0 "[ . 1 . 2]"
179 . 1 116 VAL N 1 116 VAL CA 1 116 VAL C 1 117 ILE N 125.00 143.00 139.40 138.79 136.98 0.26 15 0 "[ . 1 . 2]"
180 . 1 116 VAL C 1 117 ILE N 1 117 ILE CA 1 117 ILE C -129.00 -105.00 -121.89 -124.70 -118.84 . . 0 "[ . 1 . 2]"
181 . 1 117 ILE N 1 117 ILE CA 1 117 ILE C 1 118 SER N 121.00 143.00 121.24 124.27 122.92 2.30 4 0 "[ . 1 . 2]"
182 . 1 117 ILE C 1 118 SER N 1 118 SER CA 1 118 SER C -118.00 -86.00 -86.50 -89.16 -84.80 1.20 16 0 "[ . 1 . 2]"
183 . 1 118 SER N 1 118 SER CA 1 118 SER C 1 119 THR N -24.00 20.00 21.83 20.72 23.40 3.40 10 0 "[ . 1 . 2]"
184 . 1 118 SER C 1 119 THR N 1 119 THR CA 1 119 THR C -169.00 -125.00 -121.88 -121.31 -121.52 3.95 2 0 "[ . 1 . 2]"
185 . 1 119 THR N 1 119 THR CA 1 119 THR C 1 120 ILE N 75.00 115.00 117.41 116.25 118.93 3.93 20 0 "[ . 1 . 2]"
186 . 1 119 THR C 1 120 ILE N 1 120 ILE CA 1 120 ILE C -128.00 -88.00 -127.65 -129.36 -123.64 1.36 6 0 "[ . 1 . 2]"
187 . 1 120 ILE N 1 120 ILE CA 1 120 ILE C 1 121 PRO N 95.00 123.00 103.24 95.14 109.94 . . 0 "[ . 1 . 2]"
188 . 1 120 ILE C 1 121 PRO N 1 121 PRO CA 1 121 PRO C -62.00 -52.00 -58.84 -54.45 -56.35 0.66 19 0 "[ . 1 . 2]"
189 . 1 121 PRO N 1 121 PRO CA 1 121 PRO C 1 122 GLU N 137.00 165.00 166.20 166.59 166.52 1.91 11 0 "[ . 1 . 2]"
190 . 1 121 PRO C 1 122 GLU N 1 122 GLU CA 1 122 GLU C -58.00 -50.00 -52.58 -54.70 -51.10 . . 0 "[ . 1 . 2]"
191 . 1 122 GLU N 1 122 GLU CA 1 122 GLU C 1 123 ASP N -50.00 -32.00 -51.36 -51.29 -51.38 2.20 4 0 "[ . 1 . 2]"
192 . 1 122 GLU C 1 123 ASP N 1 123 ASP CA 1 123 ASP C -61.00 -45.00 -46.08 -46.52 -46.85 . . 0 "[ . 1 . 2]"
193 . 1 123 ASP N 1 123 ASP CA 1 123 ASP C 1 124 GLU N -43.00 -33.00 -44.96 -44.89 -45.02 2.58 1 0 "[ . 1 . 2]"
194 . 1 123 ASP C 1 124 GLU N 1 124 GLU CA 1 124 GLU C -75.00 -59.00 -77.08 -77.07 -77.12 2.74 12 0 "[ . 1 . 2]"
195 . 1 124 GLU N 1 124 GLU CA 1 124 GLU C 1 125 GLU N -46.00 -32.00 -41.28 -42.68 -39.23 . . 0 "[ . 1 . 2]"
196 . 1 124 GLU C 1 125 GLU N 1 125 GLU CA 1 125 GLU C -68.00 -58.00 -56.54 -57.15 -55.93 2.07 12 0 "[ . 1 . 2]"
197 . 1 125 GLU N 1 125 GLU CA 1 125 GLU C 1 126 LYS N -61.00 -41.00 -56.37 -57.16 -55.34 . . 0 "[ . 1 . 2]"
198 . 1 125 GLU C 1 126 LYS N 1 126 LYS CA 1 126 LYS C -68.00 -56.00 -56.55 -57.26 -57.55 0.72 18 0 "[ . 1 . 2]"
199 . 1 126 LYS N 1 126 LYS CA 1 126 LYS C 1 127 ASN N -49.00 -35.00 -39.22 -39.63 -39.85 . . 0 "[ . 1 . 2]"
200 . 1 126 LYS C 1 127 ASN N 1 127 ASN CA 1 127 ASN C -66.00 -60.00 -64.57 -66.26 -62.58 0.26 16 0 "[ . 1 . 2]"
201 . 1 127 ASN N 1 127 ASN CA 1 127 ASN C 1 128 TYR N -49.00 -39.00 -49.74 -50.31 -50.71 1.71 1 0 "[ . 1 . 2]"
202 . 1 127 ASN C 1 128 TYR N 1 128 TYR CA 1 128 TYR C -68.00 -60.00 -65.90 -64.01 -64.73 . . 0 "[ . 1 . 2]"
203 . 1 128 TYR N 1 128 TYR CA 1 128 TYR C 1 129 TRP N -50.00 -40.00 -51.19 -51.24 -51.50 2.08 20 0 "[ . 1 . 2]"
204 . 1 128 TYR C 1 129 TRP N 1 129 TRP CA 1 129 TRP C -66.00 -54.00 -53.59 -53.24 -53.44 1.21 10 0 "[ . 1 . 2]"
205 . 1 129 TRP N 1 129 TRP CA 1 129 TRP C 1 130 ASN N -57.00 -41.00 -57.13 -58.21 -55.66 1.21 5 0 "[ . 1 . 2]"
206 . 1 129 TRP C 1 130 ASN N 1 130 ASN CA 1 130 ASN C -69.00 -59.00 -61.56 -61.93 -62.01 . . 0 "[ . 1 . 2]"
207 . 1 130 ASN N 1 130 ASN CA 1 130 ASN C 1 131 TYR N -47.00 -33.00 -38.40 -39.78 -37.27 . . 0 "[ . 1 . 2]"
208 . 1 130 ASN C 1 131 TYR N 1 131 TYR CA 1 131 TYR C -64.00 -54.00 -53.94 -53.83 -53.93 0.66 20 0 "[ . 1 . 2]"
209 . 1 131 TYR N 1 131 TYR CA 1 131 TYR C 1 132 ILE N -64.00 -52.00 -65.20 -66.22 -64.36 2.22 17 0 "[ . 1 . 2]"
210 . 1 131 TYR C 1 132 ILE N 1 132 ILE CA 1 132 ILE C -66.00 -58.00 -54.93 -55.66 -53.65 4.35 9 0 "[ . 1 . 2]"
211 . 1 132 ILE N 1 132 ILE CA 1 132 ILE C 1 133 LYS N -44.00 -28.00 -38.45 -38.50 -38.89 . . 0 "[ . 1 . 2]"
212 . 1 132 ILE C 1 133 LYS N 1 133 LYS CA 1 133 LYS C -70.00 -56.00 -70.52 -70.84 -71.01 1.47 3 0 "[ . 1 . 2]"
213 . 1 133 LYS N 1 133 LYS CA 1 133 LYS C 1 134 PHE N -39.00 -11.00 -13.42 -17.03 -10.96 0.04 7 0 "[ . 1 . 2]"
214 . 1 133 LYS C 1 134 PHE N 1 134 PHE CA 1 134 PHE C -106.00 -78.00 -97.98 -98.32 -98.85 . . 0 "[ . 1 . 2]"
215 . 1 134 PHE N 1 134 PHE CA 1 134 PHE C 1 135 LYS N -53.00 -35.00 -38.05 -38.46 -38.87 . . 0 "[ . 1 . 2]"
216 . 1 134 PHE C 1 135 LYS N 1 135 LYS CA 1 135 LYS C -98.00 -68.00 -77.65 -80.13 -74.08 . . 0 "[ . 1 . 2]"
217 . 1 135 LYS N 1 135 LYS CA 1 135 LYS C 1 136 LYS N -38.00 -18.00 -39.07 -40.62 -37.56 2.62 9 0 "[ . 1 . 2]"
218 . 1 135 LYS C 1 136 LYS N 1 136 LYS CA 1 136 LYS C -101.00 -69.00 -103.25 -104.72 -101.51 3.72 9 0 "[ . 1 . 2]"
219 . 1 82 ILE C 1 61 ASN N 1 61 ASN CA 1 61 ASN C -90.00 -62.00 -99.62 91.46 21.11 153.46 16 17 "[* ******** ***-+ ***]"
220 . 1 81 MET C 1 82 ILE N 1 82 ILE CA 1 82 ILE C -135.00 -111.00 -133.60 -135.32 -129.01 0.32 19 0 "[ . 1 . 2]"
221 . 1 82 ILE N 1 82 ILE CA 1 82 ILE C 1 83 ARG N 117.00 135.00 129.12 124.40 133.37 . . 0 "[ . 1 . 2]"
222 . 1 82 ILE C 1 83 ARG N 1 83 ARG CA 1 83 ARG C -127.00 -103.00 -126.41 -127.23 -127.37 1.09 17 0 "[ . 1 . 2]"
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