NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
499509 |
2kzh   |
17005 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2kzh
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 208
_TA_constraint_stats_list.Viol_count 514
_TA_constraint_stats_list.Viol_total 10687.22
_TA_constraint_stats_list.Viol_max 4.44
_TA_constraint_stats_list.Viol_rms 0.47
_TA_constraint_stats_list.Viol_average_all_restraints 0.13
_TA_constraint_stats_list.Viol_average_violations_only 1.04
_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 4 ASN C 1 5 LYS N 1 5 LYS CA 1 5 LYS C -154.30 -14.30 -56.45 -57.88 -61.98 . . 0 "[ . 1 . 2]"
2 . 1 5 LYS N 1 5 LYS CA 1 5 LYS C 1 6 VAL N 92.40 -174.80 101.92 109.71 101.49 0.41 16 0 "[ . 1 . 2]"
3 . 1 5 LYS C 1 6 VAL N 1 6 VAL CA 1 6 VAL C -145.80 -73.20 -91.57 -117.63 -72.64 0.56 4 0 "[ . 1 . 2]"
4 . 1 6 VAL N 1 6 VAL CA 1 6 VAL C 1 7 CYS N 103.50 143.50 120.11 102.70 146.74 3.24 1 0 "[ . 1 . 2]"
5 . 1 6 VAL C 1 7 CYS N 1 7 CYS CA 1 7 CYS C -149.90 -92.10 -94.83 -136.81 -87.70 4.40 1 0 "[ . 1 . 2]"
6 . 1 7 CYS N 1 7 CYS CA 1 7 CYS C 1 8 GLY N 118.70 166.70 169.52 166.88 170.94 4.24 4 0 "[ . 1 . 2]"
7 . 1 7 CYS C 1 8 GLY N 1 8 GLY CA 1 8 GLY C -146.60 -6.60 -30.55 -6.62 -19.53 3.95 13 0 "[ . 1 . 2]"
8 . 1 8 GLY N 1 8 GLY CA 1 8 GLY C 1 9 LEU N 106.90 -113.10 117.66 105.85 -110.90 2.20 13 0 "[ . 1 . 2]"
9 . 1 9 LEU C 1 10 THR N 1 10 THR CA 1 10 THR C -137.90 -91.70 -130.03 -139.04 -111.12 1.14 12 0 "[ . 1 . 2]"
10 . 1 10 THR N 1 10 THR CA 1 10 THR C 1 11 ARG N -18.70 21.70 3.28 -19.82 21.88 1.12 9 0 "[ . 1 . 2]"
11 . 1 10 THR C 1 11 ARG N 1 11 ARG CA 1 11 ARG C 174.00 -54.40 -104.48 -86.41 -92.43 . . 0 "[ . 1 . 2]"
12 . 1 11 ARG N 1 11 ARG CA 1 11 ARG C 1 12 GLY N 101.90 178.70 111.58 114.61 112.79 0.14 11 0 "[ . 1 . 2]"
13 . 1 11 ARG C 1 12 GLY N 1 12 GLY CA 1 12 GLY C -79.20 -39.20 -53.32 -48.41 -50.34 . . 0 "[ . 1 . 2]"
14 . 1 12 GLY N 1 12 GLY CA 1 12 GLY C 1 13 GLN N -58.70 -13.90 -43.34 -59.30 -30.39 0.60 2 0 "[ . 1 . 2]"
15 . 1 12 GLY C 1 13 GLN N 1 13 GLN CA 1 13 GLN C -80.90 -40.90 -68.76 -57.88 -63.22 0.54 3 0 "[ . 1 . 2]"
16 . 1 13 GLN N 1 13 GLN CA 1 13 GLN C 1 14 ASP N -60.30 -20.30 -25.67 -40.18 -18.23 2.07 9 0 "[ . 1 . 2]"
17 . 1 13 GLN C 1 14 ASP N 1 14 ASP CA 1 14 ASP C -102.70 -45.50 -86.92 -94.14 -95.53 . . 0 "[ . 1 . 2]"
18 . 1 14 ASP N 1 14 ASP CA 1 14 ASP C 1 15 ALA N -68.30 4.50 -37.16 -39.94 -42.23 . . 0 "[ . 1 . 2]"
19 . 1 14 ASP C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -85.90 -45.90 -66.75 -77.63 -57.92 . . 0 "[ . 1 . 2]"
20 . 1 15 ALA N 1 15 ALA CA 1 15 ALA C 1 16 LYS N -60.50 -20.50 -36.81 -50.28 -22.75 . . 0 "[ . 1 . 2]"
21 . 1 15 ALA C 1 16 LYS N 1 16 LYS CA 1 16 LYS C -81.70 -41.70 -62.03 -58.97 -59.11 . . 0 "[ . 1 . 2]"
22 . 1 16 LYS N 1 16 LYS CA 1 16 LYS C 1 17 ALA N -64.40 -24.40 -24.53 -31.93 -22.39 2.01 14 0 "[ . 1 . 2]"
23 . 1 16 LYS C 1 17 ALA N 1 17 ALA CA 1 17 ALA C -80.80 -40.80 -60.42 -71.45 -52.07 . . 0 "[ . 1 . 2]"
24 . 1 17 ALA N 1 17 ALA CA 1 17 ALA C 1 18 ALA N -64.10 -24.10 -31.77 -30.21 -30.27 . . 0 "[ . 1 . 2]"
25 . 1 17 ALA C 1 18 ALA N 1 18 ALA CA 1 18 ALA C -85.00 -45.00 -76.65 -79.60 -82.40 . . 0 "[ . 1 . 2]"
26 . 1 18 ALA N 1 18 ALA CA 1 18 ALA C 1 19 TYR N -58.70 -18.70 -37.76 -45.36 -27.25 . . 0 "[ . 1 . 2]"
27 . 1 18 ALA C 1 19 TYR N 1 19 TYR CA 1 19 TYR C -82.00 -42.00 -70.81 -81.32 -60.28 . . 0 "[ . 1 . 2]"
28 . 1 19 TYR N 1 19 TYR CA 1 19 TYR C 1 20 ASP N -64.80 -24.80 -33.63 -36.15 -38.27 . . 0 "[ . 1 . 2]"
29 . 1 19 TYR C 1 20 ASP N 1 20 ASP CA 1 20 ASP C -84.50 -44.50 -63.02 -66.67 -69.80 . . 0 "[ . 1 . 2]"
30 . 1 20 ASP N 1 20 ASP CA 1 20 ASP C 1 21 ALA N -52.60 -2.00 -27.17 -16.18 -23.10 . . 0 "[ . 1 . 2]"
31 . 1 20 ASP C 1 21 ALA N 1 21 ALA CA 1 21 ALA C -105.10 -65.10 -71.26 -78.89 -65.01 0.09 10 0 "[ . 1 . 2]"
32 . 1 21 ALA N 1 21 ALA CA 1 21 ALA C 1 22 GLY N -22.80 24.40 -20.37 -17.38 -20.67 2.25 4 0 "[ . 1 . 2]"
33 . 1 23 ALA C 1 24 ILE N 1 24 ILE CA 1 24 ILE C -134.90 -58.10 -63.47 -58.69 -62.58 0.43 10 0 "[ . 1 . 2]"
34 . 1 24 ILE N 1 24 ILE CA 1 24 ILE C 1 25 TYR N -66.90 28.50 -65.66 -69.88 -53.13 2.98 19 0 "[ . 1 . 2]"
35 . 1 24 ILE C 1 25 TYR N 1 25 TYR CA 1 25 TYR C -176.00 -88.80 -176.10 -179.80 -163.78 3.80 19 0 "[ . 1 . 2]"
36 . 1 25 TYR N 1 25 TYR CA 1 25 TYR C 1 26 GLY N 116.80 -172.20 160.49 159.76 157.69 0.11 8 0 "[ . 1 . 2]"
37 . 1 25 TYR C 1 26 GLY N 1 26 GLY CA 1 26 GLY C 164.60 -55.40 -127.01 -145.26 -117.68 . . 0 "[ . 1 . 2]"
38 . 1 26 GLY N 1 26 GLY CA 1 26 GLY C 1 27 GLY N 71.00 -158.00 141.26 122.06 163.90 . . 0 "[ . 1 . 2]"
39 . 1 26 GLY C 1 27 GLY N 1 27 GLY CA 1 27 GLY C 164.40 -55.60 -109.85 -128.81 -93.08 . . 0 "[ . 1 . 2]"
40 . 1 27 GLY N 1 27 GLY CA 1 27 GLY C 1 28 LEU N 70.80 -162.60 82.20 71.29 100.63 . . 0 "[ . 1 . 2]"
41 . 1 27 GLY C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -163.30 -71.50 -117.65 -110.47 -113.21 . . 0 "[ . 1 . 2]"
42 . 1 28 LEU N 1 28 LEU CA 1 28 LEU C 1 29 ILE N 115.50 162.70 149.45 130.78 161.98 . . 0 "[ . 1 . 2]"
43 . 1 28 LEU C 1 29 ILE N 1 29 ILE CA 1 29 ILE C -116.60 -48.40 -115.22 -108.02 -114.00 1.48 6 0 "[ . 1 . 2]"
44 . 1 29 ILE N 1 29 ILE CA 1 29 ILE C 1 30 PHE N 92.80 162.80 153.31 154.40 153.11 . . 0 "[ . 1 . 2]"
45 . 1 30 PHE C 1 31 VAL N 1 31 VAL CA 1 31 VAL C -149.30 -38.50 -108.34 -127.81 -82.16 . . 0 "[ . 1 . 2]"
46 . 1 31 VAL N 1 31 VAL CA 1 31 VAL C 1 32 ALA N 106.20 151.40 121.94 113.85 152.93 1.53 5 0 "[ . 1 . 2]"
47 . 1 31 VAL C 1 32 ALA N 1 32 ALA CA 1 32 ALA C -145.00 -20.60 -54.33 -80.04 -43.86 . . 0 "[ . 1 . 2]"
48 . 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1 33 THR N 92.00 141.00 107.95 112.07 108.84 2.62 5 0 "[ . 1 . 2]"
49 . 1 33 THR C 1 34 SER N 1 34 SER CA 1 34 SER C -163.40 -67.60 -91.14 -87.15 -90.56 . . 0 "[ . 1 . 2]"
50 . 1 34 SER N 1 34 SER CA 1 34 SER C 1 35 PRO N 66.60 -177.00 130.57 140.90 140.09 . . 0 "[ . 1 . 2]"
51 . 1 35 PRO C 1 36 ARG N 1 36 ARG CA 1 36 ARG C -124.60 -60.80 -111.98 -122.33 -124.65 0.97 1 0 "[ . 1 . 2]"
52 . 1 36 ARG N 1 36 ARG CA 1 36 ARG C 1 37 CYS N -31.30 28.50 -4.55 5.74 2.18 . . 0 "[ . 1 . 2]"
53 . 1 36 ARG C 1 37 CYS N 1 37 CYS CA 1 37 CYS C -155.90 -15.90 -145.68 -156.17 -156.70 0.80 1 0 "[ . 1 . 2]"
54 . 1 37 CYS N 1 37 CYS CA 1 37 CYS C 1 38 VAL N 101.50 174.10 145.11 117.13 174.56 0.46 16 0 "[ . 1 . 2]"
55 . 1 37 CYS C 1 38 VAL N 1 38 VAL CA 1 38 VAL C -162.50 -103.70 -119.57 -147.17 -102.00 1.70 1 0 "[ . 1 . 2]"
56 . 1 38 VAL N 1 38 VAL CA 1 38 VAL C 1 39 ASN N 139.20 -175.80 136.95 134.94 138.37 4.26 11 0 "[ . 1 . 2]"
57 . 1 38 VAL C 1 39 ASN N 1 39 ASN CA 1 39 ASN C -123.80 -58.40 -107.51 -125.28 -101.15 1.48 8 0 "[ . 1 . 2]"
58 . 1 39 ASN N 1 39 ASN CA 1 39 ASN C 1 40 VAL N 147.90 -170.70 171.07 164.09 -170.06 0.64 8 0 "[ . 1 . 2]"
59 . 1 39 ASN C 1 40 VAL N 1 40 VAL CA 1 40 VAL C -76.80 -36.80 -47.35 -56.41 -38.37 . . 0 "[ . 1 . 2]"
60 . 1 40 VAL N 1 40 VAL CA 1 40 VAL C 1 41 GLU N -63.00 -23.00 -33.78 -36.89 -39.02 . . 0 "[ . 1 . 2]"
61 . 1 40 VAL C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -80.60 -40.60 -66.26 -65.96 -66.67 . . 0 "[ . 1 . 2]"
62 . 1 41 GLU N 1 41 GLU CA 1 41 GLU C 1 42 GLN N -64.80 -24.80 -51.36 -64.41 -32.54 . . 0 "[ . 1 . 2]"
63 . 1 41 GLU C 1 42 GLN N 1 42 GLN CA 1 42 GLN C -87.30 -47.30 -72.59 -86.00 -61.76 . . 0 "[ . 1 . 2]"
64 . 1 42 GLN N 1 42 GLN CA 1 42 GLN C 1 43 ALA N -59.70 -19.70 -39.21 -35.29 -37.09 . . 0 "[ . 1 . 2]"
65 . 1 42 GLN C 1 43 ALA N 1 43 ALA CA 1 43 ALA C -81.60 -41.60 -61.70 -65.10 -54.56 . . 0 "[ . 1 . 2]"
66 . 1 43 ALA N 1 43 ALA CA 1 43 ALA C 1 44 GLN N -60.10 -20.10 -27.14 -32.81 -36.08 0.04 19 0 "[ . 1 . 2]"
67 . 1 43 ALA C 1 44 GLN N 1 44 GLN CA 1 44 GLN C -82.30 -42.30 -63.07 -64.29 -64.66 . . 0 "[ . 1 . 2]"
68 . 1 44 GLN N 1 44 GLN CA 1 44 GLN C 1 45 GLU N -61.60 -21.60 -32.84 -39.49 -23.78 . . 0 "[ . 1 . 2]"
69 . 1 44 GLN C 1 45 GLU N 1 45 GLU CA 1 45 GLU C -85.90 -45.90 -83.13 -86.88 -70.96 0.98 11 0 "[ . 1 . 2]"
70 . 1 45 GLU N 1 45 GLU CA 1 45 GLU C 1 46 VAL N -62.50 -22.50 -45.61 -43.99 -44.80 . . 0 "[ . 1 . 2]"
71 . 1 45 GLU C 1 46 VAL N 1 46 VAL CA 1 46 VAL C -84.50 -44.50 -61.70 -70.42 -48.97 . . 0 "[ . 1 . 2]"
72 . 1 46 VAL N 1 46 VAL CA 1 46 VAL C 1 47 MET N -62.20 -22.20 -32.20 -24.28 -30.50 . . 0 "[ . 1 . 2]"
73 . 1 46 VAL C 1 47 MET N 1 47 MET CA 1 47 MET C -86.50 -40.90 -66.36 -69.47 -71.24 . . 0 "[ . 1 . 2]"
74 . 1 47 MET N 1 47 MET CA 1 47 MET C 1 48 ALA N -58.70 -5.10 -20.60 -31.42 -8.10 . . 0 "[ . 1 . 2]"
75 . 1 47 MET C 1 48 ALA N 1 48 ALA CA 1 48 ALA C -132.80 -28.80 -89.48 -86.62 -89.85 . . 0 "[ . 1 . 2]"
76 . 1 48 ALA N 1 48 ALA CA 1 48 ALA C 1 49 ALA N -64.70 3.70 -17.54 -28.74 3.15 . . 0 "[ . 1 . 2]"
77 . 1 48 ALA C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -129.80 -55.20 -90.76 -90.27 -98.55 . . 0 "[ . 1 . 2]"
78 . 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 ALA N -64.70 33.30 -44.84 -47.26 -48.10 . . 0 "[ . 1 . 2]"
79 . 1 49 ALA C 1 50 ALA N 1 50 ALA CA 1 50 ALA C 175.70 -81.10 -133.73 -130.23 -131.77 . . 0 "[ . 1 . 2]"
80 . 1 50 ALA N 1 50 ALA CA 1 50 ALA C 1 51 PRO N 35.00 172.60 100.27 104.94 104.73 . . 0 "[ . 1 . 2]"
81 . 1 52 LEU C 1 53 GLN N 1 53 GLN CA 1 53 GLN C 172.70 -47.30 -75.75 -85.63 -64.23 . . 0 "[ . 1 . 2]"
82 . 1 53 GLN N 1 53 GLN CA 1 53 GLN C 1 54 TYR N 96.90 168.30 141.30 122.42 161.67 . . 0 "[ . 1 . 2]"
83 . 1 53 GLN C 1 54 TYR N 1 54 TYR CA 1 54 TYR C -136.60 -52.80 -111.26 -105.14 -108.52 . . 0 "[ . 1 . 2]"
84 . 1 54 TYR N 1 54 TYR CA 1 54 TYR C 1 55 VAL N 110.60 157.40 141.68 127.32 155.39 . . 0 "[ . 1 . 2]"
85 . 1 54 TYR C 1 55 VAL N 1 55 VAL CA 1 55 VAL C -133.10 -82.90 -130.92 -119.14 -127.03 0.86 11 0 "[ . 1 . 2]"
86 . 1 55 VAL N 1 55 VAL CA 1 55 VAL C 1 56 GLY N 113.20 167.00 149.28 133.96 164.52 . . 0 "[ . 1 . 2]"
87 . 1 55 VAL C 1 56 GLY N 1 56 GLY CA 1 56 GLY C -179.10 -52.50 -124.63 -129.92 -137.51 . . 0 "[ . 1 . 2]"
88 . 1 56 GLY N 1 56 GLY CA 1 56 GLY C 1 57 VAL N 104.10 159.10 136.60 122.07 150.11 . . 0 "[ . 1 . 2]"
89 . 1 56 GLY C 1 57 VAL N 1 57 VAL CA 1 57 VAL C -144.00 -59.40 -122.79 -140.09 -105.42 . . 0 "[ . 1 . 2]"
90 . 1 57 VAL N 1 57 VAL CA 1 57 VAL C 1 58 PHE N 107.20 153.40 121.40 107.01 106.58 3.15 7 0 "[ . 1 . 2]"
91 . 1 57 VAL C 1 58 PHE N 1 58 PHE CA 1 58 PHE C -172.20 -90.00 -164.76 -173.08 -148.81 0.88 11 0 "[ . 1 . 2]"
92 . 1 58 PHE N 1 58 PHE CA 1 58 PHE C 1 59 ARG N 123.10 -173.70 157.07 146.17 140.10 . . 0 "[ . 1 . 2]"
93 . 1 58 PHE C 1 59 ARG N 1 59 ARG CA 1 59 ARG C -155.50 -86.70 -90.43 -96.64 -103.18 1.31 5 0 "[ . 1 . 2]"
94 . 1 59 ARG N 1 59 ARG CA 1 59 ARG C 1 60 ASN N 94.40 154.20 97.85 91.88 120.15 2.52 20 0 "[ . 1 . 2]"
95 . 1 59 ARG C 1 60 ASN N 1 60 ASN CA 1 60 ASN C -101.70 -36.10 -91.37 -96.75 -100.87 2.57 3 0 "[ . 1 . 2]"
96 . 1 60 ASN N 1 60 ASN CA 1 60 ASN C 1 61 HIS N 119.00 159.00 127.20 114.56 159.40 4.44 9 0 "[ . 1 . 2]"
97 . 1 61 HIS C 1 62 ASP N 1 62 ASP CA 1 62 ASP C -98.50 -47.30 -91.65 -99.37 -79.01 0.87 11 0 "[ . 1 . 2]"
98 . 1 62 ASP N 1 62 ASP CA 1 62 ASP C 1 63 ILE N 89.20 148.80 121.01 108.94 132.78 . . 0 "[ . 1 . 2]"
99 . 1 62 ASP C 1 63 ILE N 1 63 ILE CA 1 63 ILE C -75.10 -35.10 -64.16 -65.80 -66.86 . . 0 "[ . 1 . 2]"
100 . 1 63 ILE N 1 63 ILE CA 1 63 ILE C 1 64 ALA N -67.20 -8.00 -32.85 -38.36 -29.35 . . 0 "[ . 1 . 2]"
101 . 1 63 ILE C 1 64 ALA N 1 64 ALA CA 1 64 ALA C -83.10 -43.10 -72.87 -80.17 -67.78 . . 0 "[ . 1 . 2]"
102 . 1 64 ALA N 1 64 ALA CA 1 64 ALA C 1 65 ASP N -61.50 4.70 -18.03 -24.33 -9.50 . . 0 "[ . 1 . 2]"
103 . 1 64 ALA C 1 65 ASP N 1 65 ASP CA 1 65 ASP C -85.30 -45.30 -82.91 -81.38 -82.32 0.95 14 0 "[ . 1 . 2]"
104 . 1 65 ASP N 1 65 ASP CA 1 65 ASP C 1 66 VAL N -60.00 -20.00 -36.20 -49.75 -26.05 . . 0 "[ . 1 . 2]"
105 . 1 65 ASP C 1 66 VAL N 1 66 VAL CA 1 66 VAL C -84.10 -44.10 -69.92 -67.39 -69.55 . . 0 "[ . 1 . 2]"
106 . 1 66 VAL N 1 66 VAL CA 1 66 VAL C 1 67 VAL N -66.20 -26.20 -42.65 -51.84 -32.21 . . 0 "[ . 1 . 2]"
107 . 1 66 VAL C 1 67 VAL N 1 67 VAL CA 1 67 VAL C -78.10 -38.10 -61.19 -68.87 -57.41 . . 0 "[ . 1 . 2]"
108 . 1 67 VAL N 1 67 VAL CA 1 67 VAL C 1 68 ASP N -62.40 -22.40 -39.18 -45.54 -30.90 . . 0 "[ . 1 . 2]"
109 . 1 67 VAL C 1 68 ASP N 1 68 ASP CA 1 68 ASP C -80.60 -40.60 -55.58 -72.10 -50.72 . . 0 "[ . 1 . 2]"
110 . 1 68 ASP N 1 68 ASP CA 1 68 ASP C 1 69 LYS N -61.40 -21.40 -56.58 -61.79 -38.23 0.39 15 0 "[ . 1 . 2]"
111 . 1 68 ASP C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -81.80 -40.40 -64.88 -69.21 -60.75 . . 0 "[ . 1 . 2]"
112 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 ALA N -68.80 -24.80 -42.63 -43.18 -44.20 . . 0 "[ . 1 . 2]"
113 . 1 69 LYS C 1 70 ALA N 1 70 ALA CA 1 70 ALA C -77.60 -37.60 -61.21 -66.37 -56.85 . . 0 "[ . 1 . 2]"
114 . 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1 71 LYS N -63.00 -23.00 -33.33 -41.10 -22.98 0.02 7 0 "[ . 1 . 2]"
115 . 1 70 ALA C 1 71 LYS N 1 71 LYS CA 1 71 LYS C -83.60 -43.60 -81.01 -77.24 -79.40 0.56 19 0 "[ . 1 . 2]"
116 . 1 71 LYS N 1 71 LYS CA 1 71 LYS C 1 72 VAL N -64.10 -24.10 -56.82 -61.74 -48.71 . . 0 "[ . 1 . 2]"
117 . 1 71 LYS C 1 72 VAL N 1 72 VAL CA 1 72 VAL C -95.10 -43.10 -54.97 -61.26 -49.40 . . 0 "[ . 1 . 2]"
118 . 1 72 VAL N 1 72 VAL CA 1 72 VAL C 1 73 LEU N -59.60 -19.60 -57.14 -54.94 -55.30 0.43 4 0 "[ . 1 . 2]"
119 . 1 72 VAL C 1 73 LEU N 1 73 LEU CA 1 73 LEU C -114.40 -69.00 -80.13 -84.56 -86.20 . . 0 "[ . 1 . 2]"
120 . 1 73 LEU N 1 73 LEU CA 1 73 LEU C 1 74 SER N -30.70 30.10 -15.72 -29.28 -3.44 . . 0 "[ . 1 . 2]"
121 . 1 75 LEU C 1 76 ALA N 1 76 ALA CA 1 76 ALA C -127.60 -52.40 -125.77 -128.70 -115.24 1.10 2 0 "[ . 1 . 2]"
122 . 1 76 ALA N 1 76 ALA CA 1 76 ALA C 1 77 ALA N -76.50 33.10 -39.75 -74.83 -29.42 . . 0 "[ . 1 . 2]"
123 . 1 76 ALA C 1 77 ALA N 1 77 ALA CA 1 77 ALA C 151.60 -68.40 -142.11 -137.25 -140.51 . . 0 "[ . 1 . 2]"
124 . 1 77 ALA N 1 77 ALA CA 1 77 ALA C 1 78 VAL N 136.80 176.80 159.63 155.00 166.03 . . 0 "[ . 1 . 2]"
125 . 1 77 ALA C 1 78 VAL N 1 78 VAL CA 1 78 VAL C -164.30 -83.30 -141.72 -142.28 -142.78 . . 0 "[ . 1 . 2]"
126 . 1 78 VAL N 1 78 VAL CA 1 78 VAL C 1 79 GLN N 111.00 172.00 138.10 136.51 135.82 . . 0 "[ . 1 . 2]"
127 . 1 78 VAL C 1 79 GLN N 1 79 GLN CA 1 79 GLN C -146.20 -94.00 -100.78 -105.21 -95.00 . . 0 "[ . 1 . 2]"
128 . 1 79 GLN N 1 79 GLN CA 1 79 GLN C 1 80 LEU N 105.80 147.00 117.16 105.25 132.67 0.55 18 0 "[ . 1 . 2]"
129 . 1 79 GLN C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -112.80 -67.20 -102.93 -116.13 -90.53 3.33 15 0 "[ . 1 . 2]"
130 . 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 HIS N 87.10 159.10 126.82 89.17 158.51 . . 0 "[ . 1 . 2]"
131 . 1 81 HIS C 1 82 GLY N 1 82 GLY CA 1 82 GLY C -89.90 -49.90 -62.56 -55.69 -56.97 2.48 18 0 "[ . 1 . 2]"
132 . 1 82 GLY N 1 82 GLY CA 1 82 GLY C 1 83 ASN N -54.70 -13.30 -19.79 -12.32 -12.72 4.16 3 0 "[ . 1 . 2]"
133 . 1 82 GLY C 1 83 ASN N 1 83 ASN CA 1 83 ASN C -81.40 -41.40 -55.12 -56.36 -57.92 2.40 3 0 "[ . 1 . 2]"
134 . 1 83 ASN N 1 83 ASN CA 1 83 ASN C 1 84 GLU N -66.70 -26.70 -33.80 -69.91 -24.31 3.21 18 0 "[ . 1 . 2]"
135 . 1 83 ASN C 1 84 GLU N 1 84 GLU CA 1 84 GLU C -87.30 -47.30 -65.64 -89.52 -48.76 2.22 20 0 "[ . 1 . 2]"
136 . 1 84 GLU N 1 84 GLU CA 1 84 GLU C 1 85 GLU N -46.80 1.40 -48.13 -49.95 -45.56 3.15 11 0 "[ . 1 . 2]"
137 . 1 85 GLU C 1 86 GLN N 1 86 GLN CA 1 86 GLN C -77.40 -37.40 -76.51 -79.45 -66.28 2.05 2 0 "[ . 1 . 2]"
138 . 1 86 GLN N 1 86 GLN CA 1 86 GLN C 1 87 LEU N -58.20 -18.20 -44.73 -49.85 -35.53 . . 0 "[ . 1 . 2]"
139 . 1 86 GLN C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -83.60 -43.60 -78.78 -80.71 -81.87 0.46 10 0 "[ . 1 . 2]"
140 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 TYR N -56.80 -14.60 -16.69 -17.53 -19.97 1.80 18 0 "[ . 1 . 2]"
141 . 1 87 LEU C 1 88 TYR N 1 88 TYR CA 1 88 TYR C -84.10 -44.10 -60.21 -68.62 -51.43 . . 0 "[ . 1 . 2]"
142 . 1 88 TYR N 1 88 TYR CA 1 88 TYR C 1 89 ILE N -64.40 -24.40 -39.66 -41.13 -42.96 . . 0 "[ . 1 . 2]"
143 . 1 88 TYR C 1 89 ILE N 1 89 ILE CA 1 89 ILE C -83.60 -43.60 -62.50 -65.53 -59.51 . . 0 "[ . 1 . 2]"
144 . 1 89 ILE N 1 89 ILE CA 1 89 ILE C 1 90 ASP N -61.40 -21.40 -37.35 -38.19 -38.69 . . 0 "[ . 1 . 2]"
145 . 1 89 ILE C 1 90 ASP N 1 90 ASP CA 1 90 ASP C -85.60 -45.60 -67.63 -65.99 -66.99 . . 0 "[ . 1 . 2]"
146 . 1 90 ASP N 1 90 ASP CA 1 90 ASP C 1 91 THR N -58.40 -10.40 -19.96 -27.10 -13.64 . . 0 "[ . 1 . 2]"
147 . 1 90 ASP C 1 91 THR N 1 91 THR CA 1 91 THR C -88.00 -48.00 -84.82 -88.53 -89.17 1.63 15 0 "[ . 1 . 2]"
148 . 1 91 THR N 1 91 THR CA 1 91 THR C 1 92 LEU N -61.10 -21.10 -43.34 -44.33 -44.92 . . 0 "[ . 1 . 2]"
149 . 1 91 THR C 1 92 LEU N 1 92 LEU CA 1 92 LEU C -84.30 -44.30 -47.92 -53.44 -43.41 0.89 1 0 "[ . 1 . 2]"
150 . 1 92 LEU N 1 92 LEU CA 1 92 LEU C 1 93 ARG N -62.70 -15.30 -45.80 -41.71 -43.65 . . 0 "[ . 1 . 2]"
151 . 1 92 LEU C 1 93 ARG N 1 93 ARG CA 1 93 ARG C -83.40 -43.40 -54.70 -63.93 -67.05 0.25 19 0 "[ . 1 . 2]"
152 . 1 93 ARG N 1 93 ARG CA 1 93 ARG C 1 94 GLU N -64.60 -6.60 -29.13 -44.44 -6.44 0.16 17 0 "[ . 1 . 2]"
153 . 1 93 ARG C 1 94 GLU N 1 94 GLU CA 1 94 GLU C -91.20 -46.80 -79.04 -81.07 -82.42 . . 0 "[ . 1 . 2]"
154 . 1 94 GLU N 1 94 GLU CA 1 94 GLU C 1 95 ALA N -63.10 3.30 -38.01 -33.27 -34.43 . . 0 "[ . 1 . 2]"
155 . 1 94 GLU C 1 95 ALA N 1 95 ALA CA 1 95 ALA C -105.50 -64.50 -91.21 -103.96 -74.64 . . 0 "[ . 1 . 2]"
156 . 1 95 ALA N 1 95 ALA CA 1 95 ALA C 1 96 LEU N -55.60 10.20 -16.67 -24.12 -36.55 . . 0 "[ . 1 . 2]"
157 . 1 95 ALA C 1 96 LEU N 1 96 LEU CA 1 96 LEU C -164.10 -76.90 -88.90 -106.58 -75.79 1.11 14 0 "[ . 1 . 2]"
158 . 1 96 LEU N 1 96 LEU CA 1 96 LEU C 1 97 PRO N 32.30 159.30 131.98 124.49 121.20 . . 0 "[ . 1 . 2]"
159 . 1 96 LEU C 1 97 PRO N 1 97 PRO CA 1 97 PRO C -79.40 -39.40 -68.89 -74.49 -60.04 . . 0 "[ . 1 . 2]"
160 . 1 97 PRO N 1 97 PRO CA 1 97 PRO C 1 98 ALA N 124.70 164.70 164.76 161.57 165.99 1.29 17 0 "[ . 1 . 2]"
161 . 1 97 PRO C 1 98 ALA N 1 98 ALA CA 1 98 ALA C -82.40 -30.40 -64.61 -68.99 -69.10 . . 0 "[ . 1 . 2]"
162 . 1 98 ALA N 1 98 ALA CA 1 98 ALA C 1 99 HIS N -66.70 3.90 -14.41 -37.48 4.12 0.22 1 0 "[ . 1 . 2]"
163 . 1 98 ALA C 1 99 HIS N 1 99 HIS CA 1 99 HIS C -112.90 -64.50 -79.72 -76.26 -79.15 0.17 5 0 "[ . 1 . 2]"
164 . 1 99 HIS N 1 99 HIS CA 1 99 HIS C 1 100 VAL N -29.10 23.30 -23.61 -29.14 -29.24 1.55 4 0 "[ . 1 . 2]"
165 . 1 99 HIS C 1 100 VAL N 1 100 VAL CA 1 100 VAL C -110.30 -50.90 -104.93 -108.19 -110.90 1.51 1 0 "[ . 1 . 2]"
166 . 1 100 VAL N 1 100 VAL CA 1 100 VAL C 1 101 ALA N 101.70 158.70 134.52 124.89 147.44 . . 0 "[ . 1 . 2]"
167 . 1 100 VAL C 1 101 ALA N 1 101 ALA CA 1 101 ALA C -164.90 -75.90 -112.52 -107.40 -111.37 . . 0 "[ . 1 . 2]"
168 . 1 101 ALA N 1 101 ALA CA 1 101 ALA C 1 102 ILE N 113.80 180.00 170.38 160.66 -179.74 0.26 1 0 "[ . 1 . 2]"
169 . 1 101 ALA C 1 102 ILE N 1 102 ILE CA 1 102 ILE C -150.10 -69.50 -123.73 -126.05 -126.71 . . 0 "[ . 1 . 2]"
170 . 1 102 ILE N 1 102 ILE CA 1 102 ILE C 1 103 TRP N 105.40 148.00 131.49 127.29 135.49 . . 0 "[ . 1 . 2]"
171 . 1 102 ILE C 1 103 TRP N 1 103 TRP CA 1 103 TRP C -141.10 -101.10 -119.95 -125.00 -107.75 . . 0 "[ . 1 . 2]"
172 . 1 103 TRP N 1 103 TRP CA 1 103 TRP C 1 104 LYS N 118.70 164.70 158.26 150.00 147.14 0.01 16 0 "[ . 1 . 2]"
173 . 1 103 TRP C 1 104 LYS N 1 104 LYS CA 1 104 LYS C -141.50 -101.10 -104.12 -100.61 -100.69 1.56 11 0 "[ . 1 . 2]"
174 . 1 104 LYS N 1 104 LYS CA 1 104 LYS C 1 105 ALA N 99.60 161.00 118.62 109.18 130.96 . . 0 "[ . 1 . 2]"
175 . 1 104 LYS C 1 105 ALA N 1 105 ALA CA 1 105 ALA C -165.00 -53.80 -71.64 -68.26 -68.58 . . 0 "[ . 1 . 2]"
176 . 1 105 ALA N 1 105 ALA CA 1 105 ALA C 1 106 LEU N 56.30 -166.90 105.69 110.39 107.63 . . 0 "[ . 1 . 2]"
177 . 1 105 ALA C 1 106 LEU N 1 106 LEU CA 1 106 LEU C -150.00 -62.60 -83.35 -81.20 -84.19 . . 0 "[ . 1 . 2]"
178 . 1 106 LEU N 1 106 LEU CA 1 106 LEU C 1 107 SER N 95.70 -174.70 102.66 93.81 117.94 1.89 4 0 "[ . 1 . 2]"
179 . 1 106 LEU C 1 107 SER N 1 107 SER CA 1 107 SER C -146.00 -38.20 -71.82 -73.21 -75.30 . . 0 "[ . 1 . 2]"
180 . 1 107 SER N 1 107 SER CA 1 107 SER C 1 108 VAL N 109.00 167.60 132.78 168.86 155.26 1.72 5 0 "[ . 1 . 2]"
181 . 1 107 SER C 1 108 VAL N 1 108 VAL CA 1 108 VAL C -75.10 -35.10 -62.66 -52.48 -58.35 2.27 5 0 "[ . 1 . 2]"
182 . 1 108 VAL N 1 108 VAL CA 1 108 VAL C 1 109 GLY N 117.00 157.00 135.86 115.69 115.29 1.77 1 0 "[ . 1 . 2]"
183 . 1 111 THR C 1 112 LEU N 1 112 LEU CA 1 112 LEU C -148.40 -65.60 -99.58 -103.54 -106.17 . . 0 "[ . 1 . 2]"
184 . 1 112 LEU N 1 112 LEU CA 1 112 LEU C 1 113 PRO N 48.60 -171.40 124.20 114.54 104.66 . . 0 "[ . 1 . 2]"
185 . 1 112 LEU C 1 113 PRO N 1 113 PRO CA 1 113 PRO C -82.30 -42.30 -71.54 -68.03 -71.19 0.78 9 0 "[ . 1 . 2]"
186 . 1 113 PRO N 1 113 PRO CA 1 113 PRO C 1 114 ALA N 122.10 162.10 150.35 162.13 156.36 1.73 5 0 "[ . 1 . 2]"
187 . 1 113 PRO C 1 114 ALA N 1 114 ALA CA 1 114 ALA C -120.40 -39.20 -70.77 -58.03 -63.83 . . 0 "[ . 1 . 2]"
188 . 1 114 ALA N 1 114 ALA CA 1 114 ALA C 1 115 ARG N -45.10 2.50 -36.27 -37.89 -38.87 0.57 15 0 "[ . 1 . 2]"
189 . 1 114 ALA C 1 115 ARG N 1 115 ARG CA 1 115 ARG C 161.50 -64.50 -129.78 -125.39 -136.01 . . 0 "[ . 1 . 2]"
190 . 1 115 ARG N 1 115 ARG CA 1 115 ARG C 1 116 GLU N 119.30 179.30 130.57 118.57 166.48 0.73 10 0 "[ . 1 . 2]"
191 . 1 116 GLU C 1 117 PHE N 1 117 PHE CA 1 117 PHE C -176.40 -36.40 -123.87 -129.13 -131.48 . . 0 "[ . 1 . 2]"
192 . 1 117 PHE N 1 117 PHE CA 1 117 PHE C 1 118 GLN N 95.40 178.00 111.87 94.04 165.99 1.36 14 0 "[ . 1 . 2]"
193 . 1 118 GLN C 1 119 HIS N 1 119 HIS CA 1 119 HIS C 43.70 83.70 70.19 72.70 71.54 . . 0 "[ . 1 . 2]"
194 . 1 119 HIS N 1 119 HIS CA 1 119 HIS C 1 120 VAL N 2.10 47.70 25.62 4.98 47.85 0.15 19 0 "[ . 1 . 2]"
195 . 1 119 HIS C 1 120 VAL N 1 120 VAL CA 1 120 VAL C -150.30 -35.30 -88.09 -91.05 -94.48 . . 0 "[ . 1 . 2]"
196 . 1 120 VAL N 1 120 VAL CA 1 120 VAL C 1 121 ASP N 54.10 -165.90 150.81 137.95 164.36 . . 0 "[ . 1 . 2]"
197 . 1 120 VAL C 1 121 ASP N 1 121 ASP CA 1 121 ASP C -103.60 -63.60 -80.19 -90.62 -71.73 . . 0 "[ . 1 . 2]"
198 . 1 121 ASP N 1 121 ASP CA 1 121 ASP C 1 122 LYS N -53.40 -11.20 -39.91 -48.02 -25.40 . . 0 "[ . 1 . 2]"
199 . 1 121 ASP C 1 122 LYS N 1 122 LYS CA 1 122 LYS C 177.70 -109.70 -152.97 -169.76 -143.78 . . 0 "[ . 1 . 2]"
200 . 1 122 LYS N 1 122 LYS CA 1 122 LYS C 1 123 TYR N 121.50 161.50 162.56 162.32 161.96 2.84 12 0 "[ . 1 . 2]"
201 . 1 122 LYS C 1 123 TYR N 1 123 TYR CA 1 123 TYR C -157.90 -78.10 -116.56 -127.90 -99.61 . . 0 "[ . 1 . 2]"
202 . 1 123 TYR N 1 123 TYR CA 1 123 TYR C 1 124 VAL N 95.60 165.80 142.66 134.76 128.85 . . 0 "[ . 1 . 2]"
203 . 1 123 TYR C 1 124 VAL N 1 124 VAL CA 1 124 VAL C -166.60 -104.60 -137.82 -157.76 -129.22 . . 0 "[ . 1 . 2]"
204 . 1 124 VAL N 1 124 VAL CA 1 124 VAL C 1 125 LEU N 119.40 -170.60 171.95 161.47 -176.14 . . 0 "[ . 1 . 2]"
205 . 1 124 VAL C 1 125 LEU N 1 125 LEU CA 1 125 LEU C -119.20 -51.20 -78.58 -73.89 -76.14 . . 0 "[ . 1 . 2]"
206 . 1 125 LEU N 1 125 LEU CA 1 125 LEU C 1 126 ASP N 88.00 -178.20 154.74 130.85 -178.08 0.12 9 0 "[ . 1 . 2]"
207 . 1 125 LEU C 1 126 ASP N 1 126 ASP CA 1 126 ASP C -149.30 -9.30 -69.32 -73.08 -79.26 . . 0 "[ . 1 . 2]"
208 . 1 126 ASP N 1 126 ASP CA 1 126 ASP C 1 127 ASN N 77.50 177.70 112.31 77.46 149.75 0.04 20 0 "[ . 1 . 2]"
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