NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
520393 |
2lcj   |
17418 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lcj
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 223
_TA_constraint_stats_list.Viol_count 590
_TA_constraint_stats_list.Viol_total 17804.02
_TA_constraint_stats_list.Viol_max 7.88
_TA_constraint_stats_list.Viol_rms 0.67
_TA_constraint_stats_list.Viol_average_all_restraints 0.20
_TA_constraint_stats_list.Viol_average_violations_only 1.51
_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 1 CYS C 1 2 PHE N 1 2 PHE CA 1 2 PHE C 165.60 -56.00 -124.58 -140.39 -86.18 . . 0 "[ . 1 . 2]"
2 . 1 2 PHE N 1 2 PHE CA 1 2 PHE C 1 3 PRO N 98.90 -178.50 157.94 145.10 167.65 . . 0 "[ . 1 . 2]"
3 . 1 5 ASP C 1 6 THR N 1 6 THR CA 1 6 THR C -113.20 -60.40 -66.99 -74.40 -59.61 0.79 4 0 "[ . 1 . 2]"
4 . 1 6 THR N 1 6 THR CA 1 6 THR C 1 7 ARG N 111.60 156.00 128.40 126.33 125.70 . . 0 "[ . 1 . 2]"
5 . 1 6 THR C 1 7 ARG N 1 7 ARG CA 1 7 ARG C -157.30 -76.90 -83.89 -80.30 -81.34 . . 0 "[ . 1 . 2]"
6 . 1 7 ARG N 1 7 ARG CA 1 7 ARG C 1 8 ILE N 104.40 169.80 132.54 130.83 129.45 . . 0 "[ . 1 . 2]"
7 . 1 7 ARG C 1 8 ILE N 1 8 ILE CA 1 8 ILE C -156.40 -106.40 -119.74 -123.60 -112.48 . . 0 "[ . 1 . 2]"
8 . 1 8 ILE N 1 8 ILE CA 1 8 ILE C 1 9 LEU N 130.60 170.60 130.89 130.93 130.57 1.18 11 0 "[ . 1 . 2]"
9 . 1 8 ILE C 1 9 LEU N 1 9 LEU CA 1 9 LEU C -145.40 -69.60 -88.82 -94.96 -84.59 . . 0 "[ . 1 . 2]"
10 . 1 9 LEU N 1 9 LEU CA 1 9 LEU C 1 10 VAL N 97.90 144.10 123.79 122.13 125.35 . . 0 "[ . 1 . 2]"
11 . 1 9 LEU C 1 10 VAL N 1 10 VAL CA 1 10 VAL C -158.40 -111.20 -134.67 -135.89 -136.26 . . 0 "[ . 1 . 2]"
12 . 1 10 VAL N 1 10 VAL CA 1 10 VAL C 1 11 GLN N 142.30 -173.50 -177.71 -178.90 -179.16 0.78 7 0 "[ . 1 . 2]"
13 . 1 10 VAL C 1 11 GLN N 1 11 GLN CA 1 11 GLN C -154.50 -101.50 -130.32 -129.95 -130.16 . . 0 "[ . 1 . 2]"
14 . 1 11 GLN N 1 11 GLN CA 1 11 GLN C 1 12 ILE N 105.30 160.70 121.30 120.42 119.67 . . 0 "[ . 1 . 2]"
15 . 1 11 GLN C 1 12 ILE N 1 12 ILE CA 1 12 ILE C -149.90 -90.50 -120.43 -119.53 -119.96 . . 0 "[ . 1 . 2]"
16 . 1 12 ILE N 1 12 ILE CA 1 12 ILE C 1 13 ASP N 92.30 146.10 121.63 119.46 123.47 . . 0 "[ . 1 . 2]"
17 . 1 13 ASP C 1 14 GLY N 1 14 GLY CA 1 14 GLY C 59.30 105.10 72.93 72.27 71.21 . . 0 "[ . 1 . 2]"
18 . 1 14 GLY N 1 14 GLY CA 1 14 GLY C 1 15 VAL N -35.20 32.40 18.83 15.92 23.12 . . 0 "[ . 1 . 2]"
19 . 1 14 GLY C 1 15 VAL N 1 15 VAL CA 1 15 VAL C -136.70 -65.30 -125.87 -125.35 -125.96 . . 0 "[ . 1 . 2]"
20 . 1 15 VAL N 1 15 VAL CA 1 15 VAL C 1 16 PRO N 109.00 153.40 119.44 120.67 120.16 . . 0 "[ . 1 . 2]"
21 . 1 16 PRO N 1 16 PRO CA 1 16 PRO C 1 17 GLN N 122.00 162.00 124.50 119.92 148.21 2.08 13 0 "[ . 1 . 2]"
22 . 1 16 PRO C 1 17 GLN N 1 17 GLN CA 1 17 GLN C -165.70 -113.30 -125.75 -128.37 -129.48 . . 0 "[ . 1 . 2]"
23 . 1 17 GLN N 1 17 GLN CA 1 17 GLN C 1 18 LYS N 131.10 -179.30 139.67 141.55 140.59 1.92 7 0 "[ . 1 . 2]"
24 . 1 17 GLN C 1 18 LYS N 1 18 LYS CA 1 18 LYS C -148.30 -77.10 -109.86 -109.93 -110.39 . . 0 "[ . 1 . 2]"
25 . 1 18 LYS N 1 18 LYS CA 1 18 LYS C 1 19 ILE N 104.10 150.90 101.16 99.85 102.93 4.25 17 0 "[ . 1 . 2]"
26 . 1 18 LYS C 1 19 ILE N 1 19 ILE CA 1 19 ILE C -153.60 -108.20 -124.38 -127.03 -139.75 . . 0 "[ . 1 . 2]"
27 . 1 19 ILE N 1 19 ILE CA 1 19 ILE C 1 20 THR N 126.80 -168.20 -175.90 -178.41 136.86 . . 0 "[ . 1 . 2]"
28 . 1 19 ILE C 1 20 THR N 1 20 THR CA 1 20 THR C -152.80 -43.20 -92.05 -98.95 -40.02 3.18 1 0 "[ . 1 . 2]"
29 . 1 20 THR N 1 20 THR CA 1 20 THR C 1 21 LEU N 143.80 -176.20 170.71 168.65 148.95 . . 0 "[ . 1 . 2]"
30 . 1 20 THR C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -81.70 -41.70 -68.11 -73.96 -60.15 . . 0 "[ . 1 . 2]"
31 . 1 21 LEU N 1 21 LEU CA 1 21 LEU C 1 22 ARG N -61.20 -13.40 -27.20 -22.63 -23.60 . . 0 "[ . 1 . 2]"
32 . 1 21 LEU C 1 22 ARG N 1 22 ARG CA 1 22 ARG C -84.60 -44.60 -81.30 -85.90 -76.85 1.30 18 0 "[ . 1 . 2]"
33 . 1 22 ARG N 1 22 ARG CA 1 22 ARG C 1 23 GLU N -58.00 -18.00 -25.19 -25.34 -25.86 . . 0 "[ . 1 . 2]"
34 . 1 22 ARG C 1 23 GLU N 1 23 GLU CA 1 23 GLU C -82.00 -42.00 -84.25 -84.28 -84.56 3.73 8 0 "[ . 1 . 2]"
35 . 1 23 GLU N 1 23 GLU CA 1 23 GLU C 1 24 LEU N -61.60 -21.60 -41.93 -45.79 -48.67 . . 0 "[ . 1 . 2]"
36 . 1 23 GLU C 1 24 LEU N 1 24 LEU CA 1 24 LEU C -83.60 -43.60 -58.08 -66.11 -50.94 . . 0 "[ . 1 . 2]"
37 . 1 24 LEU N 1 24 LEU CA 1 24 LEU C 1 25 TYR N -54.90 -14.90 -43.74 -45.74 -51.37 . . 0 "[ . 1 . 2]"
38 . 1 24 LEU C 1 25 TYR N 1 25 TYR CA 1 25 TYR C -87.60 -42.40 -53.28 -60.41 -45.42 . . 0 "[ . 1 . 2]"
39 . 1 25 TYR N 1 25 TYR CA 1 25 TYR C 1 26 GLU N -59.60 -19.60 -30.99 -33.95 -34.17 . . 0 "[ . 1 . 2]"
40 . 1 25 TYR C 1 26 GLU N 1 26 GLU CA 1 26 GLU C -111.50 -52.70 -75.03 -84.41 -68.09 . . 0 "[ . 1 . 2]"
41 . 1 26 GLU N 1 26 GLU CA 1 26 GLU C 1 27 LEU N -42.90 18.30 -16.57 -17.26 -17.49 . . 0 "[ . 1 . 2]"
42 . 1 27 LEU C 1 28 PHE N 1 28 PHE CA 1 28 PHE C -163.80 -97.00 -117.85 -117.91 -118.24 . . 0 "[ . 1 . 2]"
43 . 1 28 PHE N 1 28 PHE CA 1 28 PHE C 1 29 GLU N 126.30 178.10 162.65 161.25 160.86 . . 0 "[ . 1 . 2]"
44 . 1 28 PHE C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -175.40 -114.40 -141.80 -142.70 -143.95 . . 0 "[ . 1 . 2]"
45 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 ASP N 131.40 -174.40 -175.96 131.51 -171.42 2.98 10 0 "[ . 1 . 2]"
46 . 1 30 ASP C 1 31 GLU N 1 31 GLU CA 1 31 GLU C -148.60 -95.60 -101.59 -107.63 -97.35 . . 0 "[ . 1 . 2]"
47 . 1 31 GLU N 1 31 GLU CA 1 31 GLU C 1 32 ARG N 114.50 162.30 128.41 130.79 129.44 . . 0 "[ . 1 . 2]"
48 . 1 31 GLU C 1 32 ARG N 1 32 ARG CA 1 32 ARG C -145.50 -78.50 -118.88 -116.32 -117.53 . . 0 "[ . 1 . 2]"
49 . 1 32 ARG N 1 32 ARG CA 1 32 ARG C 1 33 TYR N 105.80 148.60 152.28 153.37 152.80 7.88 5 8 "[ + *** -** *]"
50 . 1 32 ARG C 1 33 TYR N 1 33 TYR CA 1 33 TYR C -145.90 -88.30 -103.48 -102.84 -103.74 0.26 13 0 "[ . 1 . 2]"
51 . 1 33 TYR N 1 33 TYR CA 1 33 TYR C 1 34 GLU N 102.90 142.90 127.89 129.62 128.77 . . 0 "[ . 1 . 2]"
52 . 1 33 TYR C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -166.40 -80.80 -165.60 -166.78 -167.00 1.13 3 0 "[ . 1 . 2]"
53 . 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 ASN N 97.30 165.70 145.57 137.66 154.38 . . 0 "[ . 1 . 2]"
54 . 1 35 ASN C 1 36 MET N 1 36 MET CA 1 36 MET C 41.70 81.70 72.15 71.59 71.28 . . 0 "[ . 1 . 2]"
55 . 1 36 MET N 1 36 MET CA 1 36 MET C 1 37 VAL N 1.10 47.30 17.45 18.66 17.98 . . 0 "[ . 1 . 2]"
56 . 1 37 VAL C 1 38 TYR N 1 38 TYR CA 1 38 TYR C -171.40 -72.40 -116.45 -117.45 -118.36 . . 0 "[ . 1 . 2]"
57 . 1 38 TYR N 1 38 TYR CA 1 38 TYR C 1 39 VAL N 127.90 167.90 141.40 137.72 147.64 . . 0 "[ . 1 . 2]"
58 . 1 38 TYR C 1 39 VAL N 1 39 VAL CA 1 39 VAL C -154.00 -101.40 -129.62 -135.19 -127.17 . . 0 "[ . 1 . 2]"
59 . 1 39 VAL N 1 39 VAL CA 1 39 VAL C 1 40 ARG N 126.90 179.50 123.83 124.83 124.30 4.88 12 0 "[ . 1 . 2]"
60 . 1 39 VAL C 1 40 ARG N 1 40 ARG CA 1 40 ARG C -155.60 -106.20 -114.79 -119.68 -110.02 . . 0 "[ . 1 . 2]"
61 . 1 40 ARG N 1 40 ARG CA 1 40 ARG C 1 41 LYS N 128.50 173.90 127.30 127.45 127.03 2.33 9 0 "[ . 1 . 2]"
62 . 1 40 ARG C 1 41 LYS N 1 41 LYS CA 1 41 LYS C -162.40 -71.00 -131.76 -131.15 -131.65 . . 0 "[ . 1 . 2]"
63 . 1 41 LYS N 1 41 LYS CA 1 41 LYS C 1 42 LYS N 117.90 177.90 146.36 135.33 179.31 1.41 8 0 "[ . 1 . 2]"
64 . 1 44 LYS C 1 45 ARG N 1 45 ARG CA 1 45 ARG C -171.10 -101.30 -146.67 -150.68 -142.11 . . 0 "[ . 1 . 2]"
65 . 1 45 ARG N 1 45 ARG CA 1 45 ARG C 1 46 GLU N 114.60 -166.20 -165.84 -171.00 -164.62 1.58 5 0 "[ . 1 . 2]"
66 . 1 45 ARG C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -139.00 -54.00 -86.02 -86.43 -86.73 . . 0 "[ . 1 . 2]"
67 . 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 ILE N 94.30 158.30 100.98 96.70 105.34 . . 0 "[ . 1 . 2]"
68 . 1 46 GLU C 1 47 ILE N 1 47 ILE CA 1 47 ILE C -138.50 -98.50 -116.07 -117.36 -119.09 . . 0 "[ . 1 . 2]"
69 . 1 47 ILE N 1 47 ILE CA 1 47 ILE C 1 48 LYS N 113.00 153.00 117.25 112.37 121.59 0.63 8 0 "[ . 1 . 2]"
70 . 1 47 ILE C 1 48 LYS N 1 48 LYS CA 1 48 LYS C -152.90 -103.10 -117.98 -117.72 -118.43 . . 0 "[ . 1 . 2]"
71 . 1 48 LYS N 1 48 LYS CA 1 48 LYS C 1 49 VAL N 117.70 173.90 166.92 163.70 169.64 . . 0 "[ . 1 . 2]"
72 . 1 48 LYS C 1 49 VAL N 1 49 VAL CA 1 49 VAL C -169.90 -104.50 -120.63 -125.51 -127.01 . . 0 "[ . 1 . 2]"
73 . 1 49 VAL N 1 49 VAL CA 1 49 VAL C 1 50 TYR N 122.90 178.90 130.05 121.53 134.30 1.37 20 0 "[ . 1 . 2]"
74 . 1 49 VAL C 1 50 TYR N 1 50 TYR CA 1 50 TYR C -141.20 -71.80 -83.99 -90.73 -76.10 . . 0 "[ . 1 . 2]"
75 . 1 50 TYR N 1 50 TYR CA 1 50 TYR C 1 51 SER N 110.30 152.10 122.69 110.27 132.16 0.03 20 0 "[ . 1 . 2]"
76 . 1 50 TYR C 1 51 SER N 1 51 SER CA 1 51 SER C -145.90 -105.90 -133.49 -124.43 -127.66 . . 0 "[ . 1 . 2]"
77 . 1 51 SER N 1 51 SER CA 1 51 SER C 1 52 ILE N 115.40 176.40 169.81 176.20 175.54 0.75 18 0 "[ . 1 . 2]"
78 . 1 51 SER C 1 52 ILE N 1 52 ILE CA 1 52 ILE C -160.60 -74.20 -116.18 -131.21 -90.26 . . 0 "[ . 1 . 2]"
79 . 1 52 ILE N 1 52 ILE CA 1 52 ILE C 1 53 ASP N 112.80 161.00 142.24 138.20 145.91 . . 0 "[ . 1 . 2]"
80 . 1 53 ASP C 1 54 LEU N 1 54 LEU CA 1 54 LEU C -78.00 -38.00 -71.03 -78.16 -36.33 1.67 8 0 "[ . 1 . 2]"
81 . 1 54 LEU N 1 54 LEU CA 1 54 LEU C 1 55 GLU N -45.30 -5.30 -18.04 -31.47 -33.56 0.52 4 0 "[ . 1 . 2]"
82 . 1 54 LEU C 1 55 GLU N 1 55 GLU CA 1 55 GLU C -108.30 -49.30 -94.83 -108.18 -63.33 . . 0 "[ . 1 . 2]"
83 . 1 55 GLU N 1 55 GLU CA 1 55 GLU C 1 56 THR N -53.10 12.90 -28.82 -30.35 -30.70 . . 0 "[ . 1 . 2]"
84 . 1 55 GLU C 1 56 THR N 1 56 THR CA 1 56 THR C -150.50 -78.30 -115.42 -120.99 -107.34 . . 0 "[ . 1 . 2]"
85 . 1 56 THR N 1 56 THR CA 1 56 THR C 1 57 GLY N -24.90 22.70 -23.58 -26.56 -18.11 1.66 10 0 "[ . 1 . 2]"
86 . 1 56 THR C 1 57 GLY N 1 57 GLY CA 1 57 GLY C 45.50 133.50 83.39 83.54 82.41 . . 0 "[ . 1 . 2]"
87 . 1 57 GLY N 1 57 GLY CA 1 57 GLY C 1 58 LYS N -20.50 33.50 15.25 9.18 22.59 . . 0 "[ . 1 . 2]"
88 . 1 57 GLY C 1 58 LYS N 1 58 LYS CA 1 58 LYS C 177.50 -67.50 -89.82 -94.56 -97.60 . . 0 "[ . 1 . 2]"
89 . 1 58 LYS N 1 58 LYS CA 1 58 LYS C 1 59 VAL N 106.60 -165.00 157.38 145.83 170.18 . . 0 "[ . 1 . 2]"
90 . 1 58 LYS C 1 59 VAL N 1 59 VAL CA 1 59 VAL C -141.40 -84.20 -91.90 -92.02 -92.53 . . 0 "[ . 1 . 2]"
91 . 1 59 VAL N 1 59 VAL CA 1 59 VAL C 1 60 VAL N 100.40 145.20 109.51 104.87 118.61 . . 0 "[ . 1 . 2]"
92 . 1 59 VAL C 1 60 VAL N 1 60 VAL CA 1 60 VAL C -164.80 -111.80 -110.54 -110.21 -110.67 2.34 4 0 "[ . 1 . 2]"
93 . 1 60 VAL N 1 60 VAL CA 1 60 VAL C 1 61 LEU N 134.40 -176.00 158.89 146.71 167.06 . . 0 "[ . 1 . 2]"
94 . 1 60 VAL C 1 61 LEU N 1 61 LEU CA 1 61 LEU C -145.60 -93.60 -121.47 -120.12 -120.69 . . 0 "[ . 1 . 2]"
95 . 1 61 LEU N 1 61 LEU CA 1 61 LEU C 1 62 THR N 109.00 160.00 139.29 141.76 140.87 . . 0 "[ . 1 . 2]"
96 . 1 61 LEU C 1 62 THR N 1 62 THR CA 1 62 THR C -150.90 -107.50 -145.82 -151.05 -137.83 0.15 3 0 "[ . 1 . 2]"
97 . 1 62 THR N 1 62 THR CA 1 62 THR C 1 63 ASP N 112.80 169.60 171.95 170.54 173.28 3.68 7 0 "[ . 1 . 2]"
98 . 1 62 THR C 1 63 ASP N 1 63 ASP CA 1 63 ASP C -149.90 -75.50 -83.59 -84.46 -85.29 . . 0 "[ . 1 . 2]"
99 . 1 63 ASP N 1 63 ASP CA 1 63 ASP C 1 64 ILE N 119.80 159.80 161.35 160.58 162.61 2.81 4 0 "[ . 1 . 2]"
100 . 1 64 ILE C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -114.70 -66.10 -87.46 -91.01 -91.07 . . 0 "[ . 1 . 2]"
101 . 1 65 GLU N 1 65 GLU CA 1 65 GLU C 1 66 ASP N -53.10 -13.10 -40.02 -38.28 -38.59 0.20 8 0 "[ . 1 . 2]"
102 . 1 66 ASP C 1 67 VAL N 1 67 VAL CA 1 67 VAL C -167.60 -105.60 -107.73 -116.82 -104.41 1.19 5 0 "[ . 1 . 2]"
103 . 1 67 VAL N 1 67 VAL CA 1 67 VAL C 1 68 ILE N 128.70 -175.70 133.81 137.35 134.30 0.40 6 0 "[ . 1 . 2]"
104 . 1 67 VAL C 1 68 ILE N 1 68 ILE CA 1 68 ILE C -169.30 -92.10 -96.92 -113.99 -89.89 2.21 1 0 "[ . 1 . 2]"
105 . 1 68 ILE N 1 68 ILE CA 1 68 ILE C 1 69 LYS N 97.90 170.50 110.43 109.74 108.45 . . 0 "[ . 1 . 2]"
106 . 1 68 ILE C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -158.00 -85.20 -123.84 -120.95 -121.30 . . 0 "[ . 1 . 2]"
107 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 ALA N 108.40 149.80 110.13 111.92 110.42 1.06 12 0 "[ . 1 . 2]"
108 . 1 69 LYS C 1 70 ALA N 1 70 ALA CA 1 70 ALA C -130.60 -90.60 -130.69 -132.53 -126.98 1.93 18 0 "[ . 1 . 2]"
109 . 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1 71 PRO N 77.80 143.80 139.45 134.57 144.53 0.73 9 0 "[ . 1 . 2]"
110 . 1 71 PRO N 1 71 PRO CA 1 71 PRO C 1 72 ALA N 124.40 167.00 129.62 129.40 124.42 0.48 5 0 "[ . 1 . 2]"
111 . 1 74 ASP C 1 75 HIS N 1 75 HIS CA 1 75 HIS C 179.90 -79.50 -121.80 178.74 -97.38 1.16 6 0 "[ . 1 . 2]"
112 . 1 75 HIS N 1 75 HIS CA 1 75 HIS C 1 76 LEU N 121.80 170.00 171.79 165.79 173.63 3.63 7 0 "[ . 1 . 2]"
113 . 1 75 HIS C 1 76 LEU N 1 76 LEU CA 1 76 LEU C -152.40 -82.20 -126.28 -121.32 -122.48 . . 0 "[ . 1 . 2]"
114 . 1 76 LEU N 1 76 LEU CA 1 76 LEU C 1 77 ILE N 130.50 170.50 141.81 148.27 146.87 . . 0 "[ . 1 . 2]"
115 . 1 77 ILE C 1 78 ARG N 1 78 ARG CA 1 78 ARG C -130.90 -81.70 -119.02 -116.50 -116.56 . . 0 "[ . 1 . 2]"
116 . 1 78 ARG N 1 78 ARG CA 1 78 ARG C 1 79 PHE N 108.30 148.30 137.92 136.03 140.88 . . 0 "[ . 1 . 2]"
117 . 1 78 ARG C 1 79 PHE N 1 79 PHE CA 1 79 PHE C -151.90 -73.70 -115.46 -115.35 -115.85 . . 0 "[ . 1 . 2]"
118 . 1 79 PHE N 1 79 PHE CA 1 79 PHE C 1 80 GLU N 108.50 161.10 124.72 120.83 130.32 . . 0 "[ . 1 . 2]"
119 . 1 79 PHE C 1 80 GLU N 1 80 GLU CA 1 80 GLU C -157.90 -93.50 -110.19 -113.10 -106.27 . . 0 "[ . 1 . 2]"
120 . 1 80 GLU N 1 80 GLU CA 1 80 GLU C 1 81 LEU N 102.80 -172.20 125.58 120.77 132.63 . . 0 "[ . 1 . 2]"
121 . 1 83 ASP C 1 84 GLY N 1 84 GLY CA 1 84 GLY C 72.70 112.70 93.93 90.78 98.87 . . 0 "[ . 1 . 2]"
122 . 1 84 GLY N 1 84 GLY CA 1 84 GLY C 1 85 ARG N -20.50 19.50 14.15 4.33 19.91 0.41 7 0 "[ . 1 . 2]"
123 . 1 85 ARG C 1 86 SER N 1 86 SER CA 1 86 SER C 179.10 -92.70 -140.84 -140.93 -141.27 . . 0 "[ . 1 . 2]"
124 . 1 86 SER N 1 86 SER CA 1 86 SER C 1 87 PHE N 137.20 -174.80 143.19 143.12 141.26 0.92 14 0 "[ . 1 . 2]"
125 . 1 86 SER C 1 87 PHE N 1 87 PHE CA 1 87 PHE C -176.30 -129.30 -137.94 -148.34 -129.97 . . 0 "[ . 1 . 2]"
126 . 1 87 PHE N 1 87 PHE CA 1 87 PHE C 1 88 GLU N 139.00 179.00 150.53 138.69 157.47 0.31 13 0 "[ . 1 . 2]"
127 . 1 87 PHE C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -177.80 -85.80 -123.22 -119.81 -121.85 . . 0 "[ . 1 . 2]"
128 . 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 THR N 136.30 179.30 149.33 145.83 153.98 . . 0 "[ . 1 . 2]"
129 . 1 88 GLU C 1 89 THR N 1 89 THR CA 1 89 THR C -169.70 -63.70 -143.64 -143.00 -143.42 . . 0 "[ . 1 . 2]"
130 . 1 89 THR N 1 89 THR CA 1 89 THR C 1 90 THR N 128.60 -170.60 157.38 149.14 161.35 . . 0 "[ . 1 . 2]"
131 . 1 92 ASP C 1 93 HIS N 1 93 HIS CA 1 93 HIS C 173.60 -51.20 -88.82 -69.26 -72.45 . . 0 "[ . 1 . 2]"
132 . 1 93 HIS N 1 93 HIS CA 1 93 HIS C 1 94 PRO N 65.00 175.40 132.94 131.18 129.56 . . 0 "[ . 1 . 2]"
133 . 1 94 PRO N 1 94 PRO CA 1 94 PRO C 1 95 VAL N 102.00 142.00 137.69 115.76 144.05 2.05 6 0 "[ . 1 . 2]"
134 . 1 94 PRO C 1 95 VAL N 1 95 VAL CA 1 95 VAL C -137.60 -97.40 -108.31 -100.28 -103.58 2.66 2 0 "[ . 1 . 2]"
135 . 1 95 VAL N 1 95 VAL CA 1 95 VAL C 1 96 LEU N 106.90 154.10 148.12 149.19 147.85 0.20 3 0 "[ . 1 . 2]"
136 . 1 95 VAL C 1 96 LEU N 1 96 LEU CA 1 96 LEU C -138.80 -96.80 -102.67 -107.75 -98.02 . . 0 "[ . 1 . 2]"
137 . 1 96 LEU N 1 96 LEU CA 1 96 LEU C 1 97 VAL N 81.00 167.20 110.15 118.58 114.35 . . 0 "[ . 1 . 2]"
138 . 1 96 LEU C 1 97 VAL N 1 97 VAL CA 1 97 VAL C -148.20 -107.00 -112.01 -118.45 -107.11 . . 0 "[ . 1 . 2]"
139 . 1 97 VAL N 1 97 VAL CA 1 97 VAL C 1 98 TYR N 119.10 169.90 149.03 140.90 153.64 . . 0 "[ . 1 . 2]"
140 . 1 97 VAL C 1 98 TYR N 1 98 TYR CA 1 98 TYR C -143.40 -83.60 -103.24 -104.47 -105.13 . . 0 "[ . 1 . 2]"
141 . 1 98 TYR N 1 98 TYR CA 1 98 TYR C 1 99 GLU N 93.80 142.20 93.50 98.62 96.02 2.85 14 0 "[ . 1 . 2]"
142 . 1 98 TYR C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -147.00 -92.40 -141.06 -147.64 -135.94 0.64 2 0 "[ . 1 . 2]"
143 . 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 ASN N 118.00 158.00 157.50 148.86 159.94 1.94 9 0 "[ . 1 . 2]"
144 . 1 99 GLU C 1 100 ASN N 1 100 ASN CA 1 100 ASN C 31.60 71.60 64.77 65.04 64.76 . . 0 "[ . 1 . 2]"
145 . 1 100 ASN N 1 100 ASN CA 1 100 ASN C 1 101 GLY N 23.70 63.70 22.59 22.37 22.19 2.27 18 0 "[ . 1 . 2]"
146 . 1 101 GLY C 1 102 ARG N 1 102 ARG CA 1 102 ARG C -178.70 -83.70 -135.22 -135.20 -135.61 . . 0 "[ . 1 . 2]"
147 . 1 102 ARG N 1 102 ARG CA 1 102 ARG C 1 103 PHE N 129.60 169.80 172.13 172.22 171.99 3.52 8 0 "[ . 1 . 2]"
148 . 1 102 ARG C 1 103 PHE N 1 103 PHE CA 1 103 PHE C -135.20 -50.80 -101.91 -105.95 -97.01 . . 0 "[ . 1 . 2]"
149 . 1 103 PHE N 1 103 PHE CA 1 103 PHE C 1 104 ILE N 123.30 163.30 121.19 119.81 122.75 3.49 14 0 "[ . 1 . 2]"
150 . 1 103 PHE C 1 104 ILE N 1 104 ILE CA 1 104 ILE C -148.70 -106.10 -122.17 -127.61 -116.38 . . 0 "[ . 1 . 2]"
151 . 1 104 ILE N 1 104 ILE CA 1 104 ILE C 1 105 GLU N 133.40 173.40 148.71 147.94 146.98 . . 0 "[ . 1 . 2]"
152 . 1 104 ILE C 1 105 GLU N 1 105 GLU CA 1 105 GLU C -141.10 -80.90 -105.94 -115.92 -97.09 . . 0 "[ . 1 . 2]"
153 . 1 105 GLU N 1 105 GLU CA 1 105 GLU C 1 106 LYS N 107.80 157.00 112.82 114.49 112.57 0.82 6 0 "[ . 1 . 2]"
154 . 1 105 GLU C 1 106 LYS N 1 106 LYS CA 1 106 LYS C -176.40 -97.40 -125.27 -120.86 -122.81 . . 0 "[ . 1 . 2]"
155 . 1 106 LYS N 1 106 LYS CA 1 106 LYS C 1 107 ARG N 123.60 -178.60 138.01 129.48 146.56 . . 0 "[ . 1 . 2]"
156 . 1 106 LYS C 1 107 ARG N 1 107 ARG CA 1 107 ARG C -86.40 -46.40 -62.07 -60.03 -60.55 . . 0 "[ . 1 . 2]"
157 . 1 107 ARG N 1 107 ARG CA 1 107 ARG C 1 108 ALA N 129.70 169.70 160.43 154.78 165.73 . . 0 "[ . 1 . 2]"
158 . 1 107 ARG C 1 108 ALA N 1 108 ALA CA 1 108 ALA C -79.40 -39.40 -59.64 -58.17 -58.84 . . 0 "[ . 1 . 2]"
159 . 1 108 ALA N 1 108 ALA CA 1 108 ALA C 1 109 PHE N -52.60 -12.60 -42.45 -45.94 -40.27 . . 0 "[ . 1 . 2]"
160 . 1 108 ALA C 1 109 PHE N 1 109 PHE CA 1 109 PHE C -100.50 -50.10 -74.00 -75.57 -71.86 . . 0 "[ . 1 . 2]"
161 . 1 109 PHE N 1 109 PHE CA 1 109 PHE C 1 110 GLU N -23.10 17.90 2.32 9.98 7.44 . . 0 "[ . 1 . 2]"
162 . 1 110 GLU C 1 111 VAL N 1 111 VAL CA 1 111 VAL C -118.80 -48.20 -75.86 -75.01 -76.25 . . 0 "[ . 1 . 2]"
163 . 1 111 VAL N 1 111 VAL CA 1 111 VAL C 1 112 LYS N 100.60 148.20 149.26 145.09 152.30 4.10 9 0 "[ . 1 . 2]"
164 . 1 111 VAL C 1 112 LYS N 1 112 LYS CA 1 112 LYS C -171.40 -77.00 -121.03 -122.17 -123.24 . . 0 "[ . 1 . 2]"
165 . 1 112 LYS N 1 112 LYS CA 1 112 LYS C 1 113 GLU N 136.90 176.90 165.88 169.80 168.19 . . 0 "[ . 1 . 2]"
166 . 1 112 LYS C 1 113 GLU N 1 113 GLU CA 1 113 GLU C -90.00 -37.20 -70.08 -77.71 -64.12 . . 0 "[ . 1 . 2]"
167 . 1 113 GLU N 1 113 GLU CA 1 113 GLU C 1 114 GLY N 105.40 154.40 142.13 141.09 139.68 . . 0 "[ . 1 . 2]"
168 . 1 113 GLU C 1 114 GLY N 1 114 GLY CA 1 114 GLY C 75.50 115.50 87.97 84.86 91.25 . . 0 "[ . 1 . 2]"
169 . 1 114 GLY N 1 114 GLY CA 1 114 GLY C 1 115 ASP N -36.60 3.40 4.67 4.10 5.63 2.23 12 0 "[ . 1 . 2]"
170 . 1 115 ASP C 1 116 LYS N 1 116 LYS CA 1 116 LYS C -167.10 -80.10 -124.60 -117.91 -119.61 . . 0 "[ . 1 . 2]"
171 . 1 116 LYS N 1 116 LYS CA 1 116 LYS C 1 117 VAL N 128.60 -173.00 162.66 152.49 168.68 . . 0 "[ . 1 . 2]"
172 . 1 116 LYS C 1 117 VAL N 1 117 VAL CA 1 117 VAL C -160.60 -113.80 -133.28 -132.35 -133.05 . . 0 "[ . 1 . 2]"
173 . 1 117 VAL N 1 117 VAL CA 1 117 VAL C 1 118 LEU N 118.70 165.50 158.79 153.53 162.28 . . 0 "[ . 1 . 2]"
174 . 1 117 VAL C 1 118 LEU N 1 118 LEU CA 1 118 LEU C -148.30 -89.50 -92.01 -97.12 -88.64 0.86 1 0 "[ . 1 . 2]"
175 . 1 118 LEU N 1 118 LEU CA 1 118 LEU C 1 119 VAL N 101.00 141.00 134.48 133.11 131.79 0.04 5 0 "[ . 1 . 2]"
176 . 1 118 LEU C 1 119 VAL N 1 119 VAL CA 1 119 VAL C -142.40 -101.60 -107.92 -116.61 -119.21 1.11 4 0 "[ . 1 . 2]"
177 . 1 119 VAL N 1 119 VAL CA 1 119 VAL C 1 120 SER N 116.20 162.00 143.53 138.13 132.89 . . 0 "[ . 1 . 2]"
178 . 1 141 GLY C 1 142 SER N 1 142 SER CA 1 142 SER C -136.60 -45.60 -88.57 -137.74 -43.93 1.67 12 0 "[ . 1 . 2]"
179 . 1 142 SER N 1 142 SER CA 1 142 SER C 1 143 PRO N 119.20 168.40 120.68 117.36 116.34 2.86 1 0 "[ . 1 . 2]"
180 . 1 146 ASP C 1 147 GLN N 1 147 GLN CA 1 147 GLN C -163.60 -101.60 -161.44 -166.27 -140.50 2.67 14 0 "[ . 1 . 2]"
181 . 1 147 GLN N 1 147 GLN CA 1 147 GLN C 1 148 LEU N 118.40 172.40 139.89 147.85 143.24 . . 0 "[ . 1 . 2]"
182 . 1 147 GLN C 1 148 LEU N 1 148 LEU CA 1 148 LEU C -136.90 -86.30 -108.68 -111.49 -111.81 . . 0 "[ . 1 . 2]"
183 . 1 148 LEU N 1 148 LEU CA 1 148 LEU C 1 149 LEU N 102.10 161.90 148.44 132.19 160.27 . . 0 "[ . 1 . 2]"
184 . 1 148 LEU C 1 149 LEU N 1 149 LEU CA 1 149 LEU C -176.40 -89.00 -113.16 -111.96 -113.02 . . 0 "[ . 1 . 2]"
185 . 1 149 LEU N 1 149 LEU CA 1 149 LEU C 1 150 GLU N 132.20 176.20 136.33 132.01 139.28 0.19 12 0 "[ . 1 . 2]"
186 . 1 149 LEU C 1 150 GLU N 1 150 GLU CA 1 150 GLU C -155.10 -36.50 -89.12 -91.56 -92.19 . . 0 "[ . 1 . 2]"
187 . 1 150 GLU N 1 150 GLU CA 1 150 GLU C 1 151 ILE N 123.90 165.90 145.51 140.31 150.52 . . 0 "[ . 1 . 2]"
188 . 1 150 GLU C 1 151 ILE N 1 151 ILE CA 1 151 ILE C -129.00 -52.40 -79.26 -81.48 -76.96 . . 0 "[ . 1 . 2]"
189 . 1 151 ILE N 1 151 ILE CA 1 151 ILE C 1 152 LYS N 102.70 147.50 108.30 102.26 121.69 0.44 12 0 "[ . 1 . 2]"
190 . 1 152 LYS C 1 153 ASN N 1 153 ASN CA 1 153 ASN C 174.10 -113.90 -150.03 -149.10 -149.29 . . 0 "[ . 1 . 2]"
191 . 1 153 ASN N 1 153 ASN CA 1 153 ASN C 1 154 ILE N 120.80 166.40 132.87 128.79 136.90 . . 0 "[ . 1 . 2]"
192 . 1 153 ASN C 1 154 ILE N 1 154 ILE CA 1 154 ILE C -160.20 -92.80 -115.19 -118.92 -111.76 . . 0 "[ . 1 . 2]"
193 . 1 154 ILE N 1 154 ILE CA 1 154 ILE C 1 155 LYS N 110.90 150.90 138.35 125.10 148.32 . . 0 "[ . 1 . 2]"
194 . 1 154 ILE C 1 155 LYS N 1 155 LYS CA 1 155 LYS C -165.50 -100.10 -142.58 -139.82 -144.60 . . 0 "[ . 1 . 2]"
195 . 1 155 LYS N 1 155 LYS CA 1 155 LYS C 1 156 TYR N 112.20 175.80 160.73 152.91 166.89 . . 0 "[ . 1 . 2]"
196 . 1 155 LYS C 1 156 TYR N 1 156 TYR CA 1 156 TYR C -137.60 -64.80 -100.39 -101.00 -101.34 . . 0 "[ . 1 . 2]"
197 . 1 156 TYR N 1 156 TYR CA 1 156 TYR C 1 157 VAL N 99.70 156.70 115.37 104.60 120.36 . . 0 "[ . 1 . 2]"
198 . 1 156 TYR C 1 157 VAL N 1 157 VAL CA 1 157 VAL C -149.70 -108.10 -125.84 -116.56 -123.02 0.08 17 0 "[ . 1 . 2]"
199 . 1 157 VAL N 1 157 VAL CA 1 157 VAL C 1 158 ARG N 133.50 173.50 161.00 175.50 174.62 2.88 2 0 "[ . 1 . 2]"
200 . 1 160 ASN C 1 161 ASP N 1 161 ASP CA 1 161 ASP C -178.50 -57.50 -123.85 -176.54 -81.92 . . 0 "[ . 1 . 2]"
201 . 1 161 ASP N 1 161 ASP CA 1 161 ASP C 1 162 ASP N 121.00 -174.20 -179.83 178.86 176.33 0.95 13 0 "[ . 1 . 2]"
202 . 1 162 ASP C 1 163 PHE N 1 163 PHE CA 1 163 PHE C -175.20 -87.00 -139.77 -144.00 -134.24 . . 0 "[ . 1 . 2]"
203 . 1 163 PHE N 1 163 PHE CA 1 163 PHE C 1 164 VAL N 140.30 -179.70 154.99 153.13 151.16 . . 0 "[ . 1 . 2]"
204 . 1 164 VAL C 1 165 PHE N 1 165 PHE CA 1 165 PHE C -160.80 -95.60 -133.97 -132.98 -133.16 . . 0 "[ . 1 . 2]"
205 . 1 165 PHE N 1 165 PHE CA 1 165 PHE C 1 166 SER N 136.50 177.90 168.93 159.97 175.04 . . 0 "[ . 1 . 2]"
206 . 1 167 LEU C 1 168 ASN N 1 168 ASN CA 1 168 ASN C -152.30 -85.30 -86.77 -87.30 -88.63 3.55 7 0 "[ . 1 . 2]"
207 . 1 168 ASN N 1 168 ASN CA 1 168 ASN C 1 169 ALA N 108.70 152.10 114.54 102.61 125.26 6.09 16 1 "[ . 1 .+ 2]"
208 . 1 169 ALA C 1 170 LYS N 1 170 LYS CA 1 170 LYS C -111.00 -64.40 -63.66 -73.31 -60.79 3.61 6 0 "[ . 1 . 2]"
209 . 1 170 LYS N 1 170 LYS CA 1 170 LYS C 1 171 LYS N 74.00 143.40 131.63 109.16 146.15 2.75 17 0 "[ . 1 . 2]"
210 . 1 173 HIS C 1 174 ASN N 1 174 ASN CA 1 174 ASN C -149.90 -55.90 -107.68 -99.40 -117.59 0.44 1 0 "[ . 1 . 2]"
211 . 1 174 ASN N 1 174 ASN CA 1 174 ASN C 1 175 VAL N 100.20 152.60 110.85 99.20 153.59 1.00 5 0 "[ . 1 . 2]"
212 . 1 174 ASN C 1 175 VAL N 1 175 VAL CA 1 175 VAL C -173.60 -117.40 -152.68 -144.86 -148.78 0.23 9 0 "[ . 1 . 2]"
213 . 1 175 VAL N 1 175 VAL CA 1 175 VAL C 1 176 ILE N 123.40 -164.60 164.78 178.59 171.70 . . 0 "[ . 1 . 2]"
214 . 1 175 VAL C 1 176 ILE N 1 176 ILE CA 1 176 ILE C -124.80 -84.00 -103.56 -117.59 -92.20 . . 0 "[ . 1 . 2]"
215 . 1 176 ILE N 1 176 ILE CA 1 176 ILE C 1 177 ILE N 103.50 152.10 116.09 112.95 122.40 . . 0 "[ . 1 . 2]"
216 . 1 176 ILE C 1 177 ILE N 1 177 ILE CA 1 177 ILE C -153.00 -103.80 -122.02 -122.27 -122.76 . . 0 "[ . 1 . 2]"
217 . 1 177 ILE N 1 177 ILE CA 1 177 ILE C 1 178 ASN N 140.50 -178.50 169.88 162.67 174.85 . . 0 "[ . 1 . 2]"
218 . 1 180 ASN C 1 181 ILE N 1 181 ILE CA 1 181 ILE C -141.10 -50.50 -88.81 -87.38 -87.94 . . 0 "[ . 1 . 2]"
219 . 1 181 ILE N 1 181 ILE CA 1 181 ILE C 1 182 VAL N 98.50 160.70 115.00 119.08 118.18 . . 0 "[ . 1 . 2]"
220 . 1 181 ILE C 1 182 VAL N 1 182 VAL CA 1 182 VAL C -139.00 -76.80 -86.66 -94.05 -76.33 0.47 3 0 "[ . 1 . 2]"
221 . 1 182 VAL N 1 182 VAL CA 1 182 VAL C 1 183 THR N 73.60 156.00 140.94 117.50 160.73 4.73 4 0 "[ . 1 . 2]"
222 . 1 182 VAL C 1 183 THR N 1 183 THR CA 1 183 THR C -171.20 -74.20 -147.82 -171.46 -118.57 0.26 3 0 "[ . 1 . 2]"
223 . 1 183 THR N 1 183 THR CA 1 183 THR C 1 184 HIS N 108.90 -167.10 155.72 164.07 159.99 . . 0 "[ . 1 . 2]"
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