NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
452612 |
2vxe   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2vxe
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 221
_TA_constraint_stats_list.Viol_count 770
_TA_constraint_stats_list.Viol_total 5400.69
_TA_constraint_stats_list.Viol_max 1.43
_TA_constraint_stats_list.Viol_rms 0.15
_TA_constraint_stats_list.Viol_average_all_restraints 0.04
_TA_constraint_stats_list.Viol_average_violations_only 0.29
_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 5 MET N 1 5 MET CA 1 5 MET C 1 6 SER N -60.00 -170.00 139.04 28.78 -34.40 . . 0 "[ . 1 . 2 ]"
2 . 1 5 MET C 1 6 SER N 1 6 SER CA 1 6 SER C -155.00 -65.00 -108.31 -67.83 -97.30 0.06 19 0 "[ . 1 . 2 ]"
3 . 1 6 SER N 1 6 SER CA 1 6 SER C 1 7 GLY N -60.00 -170.00 112.44 -35.42 155.90 . . 0 "[ . 1 . 2 ]"
4 . 1 6 SER C 1 7 GLY N 1 7 GLY CA 1 7 GLY C -155.00 -65.00 -125.09 -155.09 -66.33 0.09 20 0 "[ . 1 . 2 ]"
5 . 1 7 GLY N 1 7 GLY CA 1 7 GLY C 1 8 GLY N -60.00 -170.00 -3.03 104.72 62.46 0.01 20 0 "[ . 1 . 2 ]"
6 . 1 7 GLY C 1 8 GLY N 1 8 GLY CA 1 8 GLY C -155.00 -65.00 -104.95 -154.96 -66.55 . . 0 "[ . 1 . 2 ]"
7 . 1 8 GLY N 1 8 GLY CA 1 8 GLY C 1 9 LEU N -60.00 -170.00 -55.14 134.86 83.73 0.13 6 0 "[ . 1 . 2 ]"
8 . 1 8 GLY C 1 9 LEU N 1 9 LEU CA 1 9 LEU C -155.00 -65.00 -93.54 -155.46 -77.64 0.46 17 0 "[ . 1 . 2 ]"
9 . 1 9 LEU N 1 9 LEU CA 1 9 LEU C 1 10 PRO N -60.00 -170.00 135.81 -57.49 160.17 . . 0 "[ . 1 . 2 ]"
10 . 1 9 LEU C 1 10 PRO N 1 10 PRO CA 1 10 PRO C -155.00 -65.00 -67.71 -71.93 -64.91 0.09 14 0 "[ . 1 . 2 ]"
11 . 1 10 PRO N 1 10 PRO CA 1 10 PRO C 1 11 GLU N -60.00 -170.00 136.17 95.86 160.12 . . 0 "[ . 1 . 2 ]"
12 . 1 10 PRO C 1 11 GLU N 1 11 GLU CA 1 11 GLU C -155.00 -65.00 -64.85 -64.86 -64.87 0.24 13 0 "[ . 1 . 2 ]"
13 . 1 11 GLU N 1 11 GLU CA 1 11 GLU C 1 12 LEU N -60.00 -170.00 126.27 137.78 132.09 . . 0 "[ . 1 . 2 ]"
14 . 1 11 GLU C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -155.00 -65.00 -64.79 -64.89 -64.61 0.39 20 0 "[ . 1 . 2 ]"
15 . 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 GLY N -60.00 -170.00 154.50 160.12 155.53 . . 0 "[ . 1 . 2 ]"
16 . 1 12 LEU C 1 13 GLY N 1 13 GLY CA 1 13 GLY C 83.00 105.00 81.66 81.68 81.67 1.43 21 0 "[ . 1 . 2 ]"
17 . 1 13 GLY N 1 13 GLY CA 1 13 GLY C 1 14 SER N -26.00 -2.00 -1.90 -1.87 -1.88 0.27 17 0 "[ . 1 . 2 ]"
18 . 1 13 GLY C 1 14 SER N 1 14 SER CA 1 14 SER C -125.00 -55.00 -61.66 -62.18 -62.38 . . 0 "[ . 1 . 2 ]"
19 . 1 14 SER N 1 14 SER CA 1 14 SER C 1 15 LYS N 118.00 164.00 147.41 136.34 159.54 . . 0 "[ . 1 . 2 ]"
20 . 1 14 SER C 1 15 LYS N 1 15 LYS CA 1 15 LYS C -113.00 -79.00 -81.85 -82.36 -81.13 . . 0 "[ . 1 . 2 ]"
21 . 1 15 LYS N 1 15 LYS CA 1 15 LYS C 1 16 ILE N 101.00 141.00 125.81 127.84 127.45 . . 0 "[ . 1 . 2 ]"
22 . 1 15 LYS C 1 16 ILE N 1 16 ILE CA 1 16 ILE C -137.00 -99.00 -121.87 -125.12 -118.60 . . 0 "[ . 1 . 2 ]"
23 . 1 16 ILE N 1 16 ILE CA 1 16 ILE C 1 17 SER N 124.00 174.00 144.27 142.39 146.16 . . 0 "[ . 1 . 2 ]"
24 . 1 16 ILE C 1 17 SER N 1 17 SER CA 1 17 SER C -130.00 -90.00 -102.86 -103.67 -101.66 . . 0 "[ . 1 . 2 ]"
25 . 1 17 SER N 1 17 SER CA 1 17 SER C 1 18 LEU N 103.00 137.00 137.27 137.23 137.22 0.34 20 0 "[ . 1 . 2 ]"
26 . 1 17 SER C 1 18 LEU N 1 18 LEU CA 1 18 LEU C -142.00 -112.00 -133.63 -135.96 -131.71 . . 0 "[ . 1 . 2 ]"
27 . 1 18 LEU N 1 18 LEU CA 1 18 LEU C 1 19 ILE N 119.00 151.00 126.17 123.18 130.60 . . 0 "[ . 1 . 2 ]"
28 . 1 18 LEU C 1 19 ILE N 1 19 ILE CA 1 19 ILE C -130.00 -104.00 -106.86 -108.74 -103.98 0.02 24 0 "[ . 1 . 2 ]"
29 . 1 19 ILE N 1 19 ILE CA 1 19 ILE C 1 20 SER N 114.00 132.00 119.12 116.87 121.88 . . 0 "[ . 1 . 2 ]"
30 . 1 19 ILE C 1 20 SER N 1 20 SER CA 1 20 SER C -119.00 -69.00 -93.62 -92.86 -93.04 . . 0 "[ . 1 . 2 ]"
31 . 1 20 SER N 1 20 SER CA 1 20 SER C 1 21 LYS N 158.00 -178.00 157.76 157.58 157.93 0.42 20 0 "[ . 1 . 2 ]"
32 . 1 20 SER C 1 21 LYS N 1 21 LYS CA 1 21 LYS C -81.00 -51.00 -54.08 -56.43 -53.29 . . 0 "[ . 1 . 2 ]"
33 . 1 21 LYS N 1 21 LYS CA 1 21 LYS C 1 22 ALA N -31.00 -7.00 -13.78 -13.78 -13.90 . . 0 "[ . 1 . 2 ]"
34 . 1 21 LYS C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -107.00 -79.00 -89.77 -90.10 -90.15 . . 0 "[ . 1 . 2 ]"
35 . 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 ASP N 0.00 28.00 20.52 18.48 22.01 . . 0 "[ . 1 . 2 ]"
36 . 1 22 ALA C 1 23 ASP N 1 23 ASP CA 1 23 ASP C 48.00 72.00 54.61 54.10 54.00 . . 0 "[ . 1 . 2 ]"
37 . 1 23 ASP N 1 23 ASP CA 1 23 ASP C 1 24 ILE N 11.00 61.00 34.59 34.28 34.28 . . 0 "[ . 1 . 2 ]"
38 . 1 23 ASP C 1 24 ILE N 1 24 ILE CA 1 24 ILE C -107.00 -75.00 -103.41 -107.27 -101.24 0.27 20 0 "[ . 1 . 2 ]"
39 . 1 24 ILE N 1 24 ILE CA 1 24 ILE C 1 25 ARG N 107.00 151.00 143.11 140.89 148.97 . . 0 "[ . 1 . 2 ]"
40 . 1 24 ILE C 1 25 ARG N 1 25 ARG CA 1 25 ARG C -149.00 -97.00 -105.15 -104.61 -104.66 . . 0 "[ . 1 . 2 ]"
41 . 1 25 ARG N 1 25 ARG CA 1 25 ARG C 1 26 TYR N 120.00 166.00 119.81 119.67 119.87 0.33 14 0 "[ . 1 . 2 ]"
42 . 1 25 ARG C 1 26 TYR N 1 26 TYR CA 1 26 TYR C -140.00 -92.00 -114.08 -115.00 -112.87 . . 0 "[ . 1 . 2 ]"
43 . 1 26 TYR N 1 26 TYR CA 1 26 TYR C 1 27 GLU N 116.00 154.00 150.03 149.65 149.53 0.07 20 0 "[ . 1 . 2 ]"
44 . 1 26 TYR C 1 27 GLU N 1 27 GLU CA 1 27 GLU C -148.00 -116.00 -140.93 -140.42 -140.52 . . 0 "[ . 1 . 2 ]"
45 . 1 27 GLU N 1 27 GLU CA 1 27 GLU C 1 28 GLY N 141.00 171.00 140.51 140.43 140.64 0.57 12 0 "[ . 1 . 2 ]"
46 . 1 27 GLU C 1 28 GLY N 1 28 GLY CA 1 28 GLY C -179.00 -131.00 -167.74 -167.40 -167.87 . . 0 "[ . 1 . 2 ]"
47 . 1 28 GLY N 1 28 GLY CA 1 28 GLY C 1 29 ARG N 147.00 175.00 172.70 169.77 173.52 . . 0 "[ . 1 . 2 ]"
48 . 1 28 GLY C 1 29 ARG N 1 29 ARG CA 1 29 ARG C -127.00 -83.00 -85.05 -84.85 -84.89 . . 0 "[ . 1 . 2 ]"
49 . 1 29 ARG N 1 29 ARG CA 1 29 ARG C 1 30 LEU N 110.00 160.00 136.67 138.51 137.57 . . 0 "[ . 1 . 2 ]"
50 . 1 29 ARG C 1 30 LEU N 1 30 LEU CA 1 30 LEU C -121.00 -67.00 -66.15 -66.30 -66.08 0.92 17 0 "[ . 1 . 2 ]"
51 . 1 30 LEU N 1 30 LEU CA 1 30 LEU C 1 31 TYR N 109.00 139.00 118.50 118.27 118.00 . . 0 "[ . 1 . 2 ]"
52 . 1 30 LEU C 1 31 TYR N 1 31 TYR CA 1 31 TYR C -108.00 -74.00 -99.86 -100.51 -99.14 . . 0 "[ . 1 . 2 ]"
53 . 1 31 TYR N 1 31 TYR CA 1 31 TYR C 1 32 THR N -50.00 -20.00 -50.10 -50.19 -49.96 0.19 19 0 "[ . 1 . 2 ]"
54 . 1 31 TYR C 1 32 THR N 1 32 THR CA 1 32 THR C -178.00 -132.00 -154.00 -154.35 -154.40 . . 0 "[ . 1 . 2 ]"
55 . 1 32 THR N 1 32 THR CA 1 32 THR C 1 33 VAL N 135.00 -179.00 155.15 153.29 156.95 . . 0 "[ . 1 . 2 ]"
56 . 1 32 THR C 1 33 VAL N 1 33 VAL CA 1 33 VAL C -142.00 -100.00 -142.26 -142.34 -142.18 0.34 19 0 "[ . 1 . 2 ]"
57 . 1 33 VAL N 1 33 VAL CA 1 33 VAL C 1 34 ASP N 111.00 155.00 145.60 144.86 146.32 . . 0 "[ . 1 . 2 ]"
58 . 1 33 VAL C 1 34 ASP N 1 34 ASP CA 1 34 ASP C -129.00 -81.00 -128.51 -129.05 -127.33 0.05 19 0 "[ . 1 . 2 ]"
59 . 1 34 ASP N 1 34 ASP CA 1 34 ASP C 1 35 PRO N 90.00 148.00 100.26 98.19 102.20 . . 0 "[ . 1 . 2 ]"
60 . 1 34 ASP C 1 35 PRO N 1 35 PRO CA 1 35 PRO C -74.00 -48.00 -61.37 -62.93 -59.30 . . 0 "[ . 1 . 2 ]"
61 . 1 35 PRO N 1 35 PRO CA 1 35 PRO C 1 36 GLN N -44.00 -8.00 -40.95 -39.69 -40.16 . . 0 "[ . 1 . 2 ]"
62 . 1 35 PRO C 1 36 GLN N 1 36 GLN CA 1 36 GLN C -92.00 -50.00 -80.59 -80.70 -80.73 . . 0 "[ . 1 . 2 ]"
63 . 1 36 GLN N 1 36 GLN CA 1 36 GLN C 1 37 GLU N -51.00 -13.00 -25.43 -27.98 -23.56 . . 0 "[ . 1 . 2 ]"
64 . 1 36 GLN C 1 37 GLU N 1 37 GLU CA 1 37 GLU C -116.00 -82.00 -87.54 -89.24 -87.02 . . 0 "[ . 1 . 2 ]"
65 . 1 37 GLU N 1 37 GLU CA 1 37 GLU C 1 38 CYS N -10.00 18.00 2.11 1.46 1.31 . . 0 "[ . 1 . 2 ]"
66 . 1 37 GLU C 1 38 CYS N 1 38 CYS CA 1 38 CYS C 48.00 70.00 49.64 47.48 50.03 0.52 18 0 "[ . 1 . 2 ]"
67 . 1 38 CYS N 1 38 CYS CA 1 38 CYS C 1 39 THR N 29.00 59.00 38.90 38.68 38.55 . . 0 "[ . 1 . 2 ]"
68 . 1 38 CYS C 1 39 THR N 1 39 THR CA 1 39 THR C -154.00 -98.00 -136.13 -136.71 -135.50 . . 0 "[ . 1 . 2 ]"
69 . 1 39 THR N 1 39 THR CA 1 39 THR C 1 40 ILE N 138.00 -176.00 153.78 151.84 155.44 . . 0 "[ . 1 . 2 ]"
70 . 1 39 THR C 1 40 ILE N 1 40 ILE CA 1 40 ILE C -150.00 -110.00 -142.39 -143.10 -141.66 . . 0 "[ . 1 . 2 ]"
71 . 1 40 ILE N 1 40 ILE CA 1 40 ILE C 1 41 ALA N 116.00 162.00 161.87 160.61 162.10 0.10 13 0 "[ . 1 . 2 ]"
72 . 1 40 ILE C 1 41 ALA N 1 41 ALA CA 1 41 ALA C -143.00 -101.00 -136.32 -137.06 -133.68 . . 0 "[ . 1 . 2 ]"
73 . 1 41 ALA N 1 41 ALA CA 1 41 ALA C 1 42 LEU N 119.00 155.00 128.04 126.94 129.54 . . 0 "[ . 1 . 2 ]"
74 . 1 41 ALA C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -144.00 -110.00 -109.89 -109.99 -109.76 0.24 24 0 "[ . 1 . 2 ]"
75 . 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 SER N 129.00 165.00 146.85 146.60 146.37 . . 0 "[ . 1 . 2 ]"
76 . 1 42 LEU C 1 43 SER N 1 43 SER CA 1 43 SER C -139.00 -101.00 -118.07 -118.13 -118.22 . . 0 "[ . 1 . 2 ]"
77 . 1 43 SER N 1 43 SER CA 1 43 SER C 1 44 SER N 122.00 162.00 152.37 153.42 153.11 . . 0 "[ . 1 . 2 ]"
78 . 1 44 SER C 1 45 VAL N 1 45 VAL CA 1 45 VAL C -134.00 -80.00 -134.59 -134.56 -134.58 0.66 19 0 "[ . 1 . 2 ]"
79 . 1 45 VAL N 1 45 VAL CA 1 45 VAL C 1 46 ARG N 114.00 158.00 149.62 145.18 152.33 . . 0 "[ . 1 . 2 ]"
80 . 1 45 VAL C 1 46 ARG N 1 46 ARG CA 1 46 ARG C -137.00 -99.00 -132.81 -135.21 -135.72 . . 0 "[ . 1 . 2 ]"
81 . 1 46 ARG N 1 46 ARG CA 1 46 ARG C 1 47 SER N 115.00 153.00 153.14 153.01 153.23 0.23 1 0 "[ . 1 . 2 ]"
82 . 1 46 ARG C 1 47 SER N 1 47 SER CA 1 47 SER C -139.00 -83.00 -108.41 -112.01 -105.61 . . 0 "[ . 1 . 2 ]"
83 . 1 47 SER N 1 47 SER CA 1 47 SER C 1 48 PHE N 112.00 160.00 136.56 121.81 141.93 . . 0 "[ . 1 . 2 ]"
84 . 1 47 SER C 1 48 PHE N 1 48 PHE CA 1 48 PHE C -83.00 -49.00 -82.92 -83.09 -82.49 0.09 11 0 "[ . 1 . 2 ]"
85 . 1 48 PHE N 1 48 PHE CA 1 48 PHE C 1 49 GLY N -38.00 -14.00 -38.43 -38.29 -38.33 0.63 10 0 "[ . 1 . 2 ]"
86 . 1 48 PHE C 1 49 GLY N 1 49 GLY CA 1 49 GLY C 168.00 -176.00 167.51 167.64 167.63 0.78 15 0 "[ . 1 . 2 ]"
87 . 1 49 GLY N 1 49 GLY CA 1 49 GLY C 1 50 THR N 165.00 -159.00 170.36 166.47 -177.51 . . 0 "[ . 1 . 2 ]"
88 . 1 49 GLY C 1 50 THR N 1 50 THR CA 1 50 THR C -118.00 -60.00 -118.08 -118.30 -116.75 0.30 22 0 "[ . 1 . 2 ]"
89 . 1 50 THR N 1 50 THR CA 1 50 THR C 1 51 GLU N -36.00 6.00 3.34 6.60 6.58 0.75 23 0 "[ . 1 . 2 ]"
90 . 1 50 THR C 1 51 GLU N 1 51 GLU CA 1 51 GLU C -99.00 -49.00 -51.18 -57.33 -48.89 0.11 23 0 "[ . 1 . 2 ]"
91 . 1 51 GLU N 1 51 GLU CA 1 51 GLU C 1 52 ASP N -47.00 29.00 -25.92 -25.64 -25.89 . . 0 "[ . 1 . 2 ]"
92 . 1 51 GLU C 1 52 ASP N 1 52 ASP CA 1 52 ASP C -84.00 -48.00 -66.64 -79.12 -54.30 . . 0 "[ . 1 . 2 ]"
93 . 1 52 ASP N 1 52 ASP CA 1 52 ASP C 1 53 ARG N -59.00 3.00 -58.71 -59.47 -45.56 0.47 20 0 "[ . 1 . 2 ]"
94 . 1 52 ASP C 1 53 ARG N 1 53 ARG CA 1 53 ARG C -94.00 -54.00 -94.39 -94.55 -94.14 0.55 22 0 "[ . 1 . 2 ]"
95 . 1 53 ARG N 1 53 ARG CA 1 53 ARG C 1 54 ASP N -58.00 10.00 6.65 -58.08 10.49 0.49 15 0 "[ . 1 . 2 ]"
96 . 1 53 ARG C 1 54 ASP N 1 54 ASP CA 1 54 ASP C -135.00 -49.00 -62.96 -58.91 -59.44 . . 0 "[ . 1 . 2 ]"
97 . 1 54 ASP N 1 54 ASP CA 1 54 ASP C 1 55 THR N 132.00 174.00 172.35 174.06 174.04 0.88 23 0 "[ . 1 . 2 ]"
98 . 1 54 ASP C 1 55 THR N 1 55 THR CA 1 55 THR C -153.00 -79.00 -79.11 -78.88 -78.91 0.87 23 0 "[ . 1 . 2 ]"
99 . 1 55 THR N 1 55 THR CA 1 55 THR C 1 56 GLN N 98.00 164.00 164.49 164.42 164.42 0.66 10 0 "[ . 1 . 2 ]"
100 . 1 55 THR C 1 56 GLN N 1 56 GLN CA 1 56 GLN C -118.00 -78.00 -77.48 -77.66 -77.32 0.68 11 0 "[ . 1 . 2 ]"
101 . 1 56 GLN N 1 56 GLN CA 1 56 GLN C 1 57 PHE N -34.00 12.00 4.91 4.53 4.22 0.07 10 0 "[ . 1 . 2 ]"
102 . 1 56 GLN C 1 57 PHE N 1 57 PHE CA 1 57 PHE C -138.00 -62.00 -95.52 -96.20 -96.54 . . 0 "[ . 1 . 2 ]"
103 . 1 57 PHE N 1 57 PHE CA 1 57 PHE C 1 58 GLN N 100.00 166.00 158.72 164.48 161.17 0.07 6 0 "[ . 1 . 2 ]"
104 . 1 57 PHE C 1 58 GLN N 1 58 GLN CA 1 58 GLN C -116.00 -66.00 -69.08 -80.74 -65.94 0.06 23 0 "[ . 1 . 2 ]"
105 . 1 58 GLN N 1 58 GLN CA 1 58 GLN C 1 59 ILE N 103.00 151.00 137.53 129.94 142.47 . . 0 "[ . 1 . 2 ]"
106 . 1 58 GLN C 1 59 ILE N 1 59 ILE CA 1 59 ILE C -139.00 -97.00 -115.99 -115.75 -116.38 . . 0 "[ . 1 . 2 ]"
107 . 1 59 ILE N 1 59 ILE CA 1 59 ILE C 1 60 ALA N 116.00 142.00 137.11 132.82 142.02 0.02 22 0 "[ . 1 . 2 ]"
108 . 1 59 ILE C 1 60 ALA N 1 60 ALA CA 1 60 ALA C -98.00 -64.00 -87.10 -98.07 -64.03 0.07 18 0 "[ . 1 . 2 ]"
109 . 1 60 ALA N 1 60 ALA CA 1 60 ALA C 1 61 PRO N 110.00 146.00 119.44 146.01 138.89 0.16 20 0 "[ . 1 . 2 ]"
110 . 1 60 ALA C 1 61 PRO N 1 61 PRO CA 1 61 PRO C -118.00 -50.00 -67.87 -63.07 -63.09 . . 0 "[ . 1 . 2 ]"
111 . 1 61 PRO N 1 61 PRO CA 1 61 PRO C 1 62 GLN N 129.00 157.00 147.60 149.37 149.13 0.07 20 0 "[ . 1 . 2 ]"
112 . 1 64 GLN C 1 65 ILE N 1 65 ILE CA 1 65 ILE C -155.00 -97.00 -96.82 -96.97 -96.71 0.29 24 0 "[ . 1 . 2 ]"
113 . 1 65 ILE N 1 65 ILE CA 1 65 ILE C 1 66 TYR N 115.00 163.00 145.97 148.12 147.36 . . 0 "[ . 1 . 2 ]"
114 . 1 65 ILE C 1 66 TYR N 1 66 TYR CA 1 66 TYR C -100.00 -64.00 -94.80 -98.99 -91.72 . . 0 "[ . 1 . 2 ]"
115 . 1 66 TYR N 1 66 TYR CA 1 66 TYR C 1 67 ASP N 112.00 174.00 115.08 111.85 119.53 0.15 9 0 "[ . 1 . 2 ]"
116 . 1 66 TYR C 1 67 ASP N 1 67 ASP CA 1 67 ASP C -103.00 -49.00 -51.35 -52.35 -50.95 . . 0 "[ . 1 . 2 ]"
117 . 1 67 ASP N 1 67 ASP CA 1 67 ASP C 1 68 TYR N -43.00 -19.00 -41.62 -43.21 -39.93 0.21 9 0 "[ . 1 . 2 ]"
118 . 1 67 ASP C 1 68 TYR N 1 68 TYR CA 1 68 TYR C -159.00 -113.00 -152.99 -154.62 -152.27 . . 0 "[ . 1 . 2 ]"
119 . 1 68 TYR N 1 68 TYR CA 1 68 TYR C 1 69 ILE N 102.00 176.00 129.94 129.76 129.51 . . 0 "[ . 1 . 2 ]"
120 . 1 68 TYR C 1 69 ILE N 1 69 ILE CA 1 69 ILE C -144.00 -96.00 -128.90 -130.26 -126.31 . . 0 "[ . 1 . 2 ]"
121 . 1 69 ILE N 1 69 ILE CA 1 69 ILE C 1 70 LEU N 111.00 149.00 128.70 129.06 128.74 . . 0 "[ . 1 . 2 ]"
122 . 1 69 ILE C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -139.00 -85.00 -90.47 -90.65 -90.79 . . 0 "[ . 1 . 2 ]"
123 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 PHE N 111.00 137.00 137.06 136.99 137.14 0.14 24 0 "[ . 1 . 2 ]"
124 . 1 70 LEU C 1 71 PHE N 1 71 PHE CA 1 71 PHE C -142.00 -86.00 -135.76 -134.55 -135.17 . . 0 "[ . 1 . 2 ]"
125 . 1 71 PHE N 1 71 PHE CA 1 71 PHE C 1 72 ARG N 124.00 172.00 129.69 124.43 132.58 . . 0 "[ . 1 . 2 ]"
126 . 1 71 PHE C 1 72 ARG N 1 72 ARG CA 1 72 ARG C -117.00 -65.00 -91.49 -92.96 -89.56 . . 0 "[ . 1 . 2 ]"
127 . 1 72 ARG N 1 72 ARG CA 1 72 ARG C 1 73 GLY N 124.00 176.00 148.88 145.98 154.93 . . 0 "[ . 1 . 2 ]"
128 . 1 72 ARG C 1 73 GLY N 1 73 GLY CA 1 73 GLY C -69.00 -49.00 -59.29 -58.89 -59.03 . . 0 "[ . 1 . 2 ]"
129 . 1 73 GLY N 1 73 GLY CA 1 73 GLY C 1 74 SER N -50.00 -24.00 -25.23 -26.80 -23.96 0.04 24 0 "[ . 1 . 2 ]"
130 . 1 73 GLY C 1 74 SER N 1 74 SER CA 1 74 SER C -87.00 -53.00 -67.31 -65.36 -65.56 . . 0 "[ . 1 . 2 ]"
131 . 1 74 SER N 1 74 SER CA 1 74 SER C 1 75 ASP N -42.00 -2.00 -40.58 -42.24 -37.61 0.24 23 0 "[ . 1 . 2 ]"
132 . 1 74 SER C 1 75 ASP N 1 75 ASP CA 1 75 ASP C -114.00 -74.00 -82.57 -81.55 -81.67 . . 0 "[ . 1 . 2 ]"
133 . 1 75 ASP N 1 75 ASP CA 1 75 ASP C 1 76 ILE N -44.00 10.00 -31.39 -32.57 -32.75 . . 0 "[ . 1 . 2 ]"
134 . 1 75 ASP C 1 76 ILE N 1 76 ILE CA 1 76 ILE C -138.00 -58.00 -103.32 -101.38 -102.32 . . 0 "[ . 1 . 2 ]"
135 . 1 76 ILE N 1 76 ILE CA 1 76 ILE C 1 77 LYS N 117.00 147.00 139.74 139.89 139.35 . . 0 "[ . 1 . 2 ]"
136 . 1 76 ILE C 1 77 LYS N 1 77 LYS CA 1 77 LYS C -115.00 -81.00 -106.31 -105.19 -105.74 . . 0 "[ . 1 . 2 ]"
137 . 1 77 LYS N 1 77 LYS CA 1 77 LYS C 1 78 ASP N -44.00 -4.00 -19.49 -24.73 -10.98 . . 0 "[ . 1 . 2 ]"
138 . 1 77 LYS C 1 78 ASP N 1 78 ASP CA 1 78 ASP C -171.00 -133.00 -150.31 -152.87 -147.40 . . 0 "[ . 1 . 2 ]"
139 . 1 78 ASP N 1 78 ASP CA 1 78 ASP C 1 79 ILE N 127.00 159.00 133.90 129.63 140.78 . . 0 "[ . 1 . 2 ]"
140 . 1 78 ASP C 1 79 ILE N 1 79 ILE CA 1 79 ILE C -139.00 -101.00 -132.54 -132.55 -133.20 . . 0 "[ . 1 . 2 ]"
141 . 1 79 ILE N 1 79 ILE CA 1 79 ILE C 1 80 ARG N 118.00 150.00 140.83 143.81 143.42 . . 0 "[ . 1 . 2 ]"
142 . 1 79 ILE C 1 80 ARG N 1 80 ARG CA 1 80 ARG C -147.00 -95.00 -146.34 -146.10 -146.29 0.12 22 0 "[ . 1 . 2 ]"
143 . 1 80 ARG N 1 80 ARG CA 1 80 ARG C 1 81 VAL N 119.00 163.00 137.08 127.19 147.10 . . 0 "[ . 1 . 2 ]"
144 . 1 80 ARG C 1 81 VAL N 1 81 VAL CA 1 81 VAL C -118.00 -70.00 -86.86 -88.36 -84.83 . . 0 "[ . 1 . 2 ]"
145 . 1 81 VAL N 1 81 VAL CA 1 81 VAL C 1 82 VAL N 119.00 147.00 145.80 143.55 147.10 0.10 16 0 "[ . 1 . 2 ]"
146 . 1 81 VAL C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -139.00 -73.00 -98.23 -93.87 -93.98 0.20 7 0 "[ . 1 . 2 ]"
147 . 1 82 VAL N 1 82 VAL CA 1 82 VAL C 1 83 ASN N 103.00 147.00 133.28 125.38 147.09 0.09 6 0 "[ . 1 . 2 ]"
148 . 1 82 VAL C 1 83 ASN N 1 83 ASN CA 1 83 ASN C -155.00 -65.00 -123.74 -154.96 -100.42 . . 0 "[ . 1 . 2 ]"
149 . 1 83 ASN N 1 83 ASN CA 1 83 ASN C 1 84 ASN N -60.00 -170.00 137.30 140.25 126.27 0.06 8 0 "[ . 1 . 2 ]"
150 . 1 83 ASN C 1 84 ASN N 1 84 ASN CA 1 84 ASN C -155.00 -65.00 -101.37 -106.11 -114.69 0.06 6 0 "[ . 1 . 2 ]"
151 . 1 84 ASN N 1 84 ASN CA 1 84 ASN C 1 85 HIS N -60.00 -170.00 118.32 128.83 117.71 . . 0 "[ . 1 . 2 ]"
152 . 1 84 ASN C 1 85 HIS N 1 85 HIS CA 1 85 HIS C -155.00 -65.00 -116.66 -129.13 -136.56 . . 0 "[ . 1 . 2 ]"
153 . 1 85 HIS N 1 85 HIS CA 1 85 HIS C 1 86 THR N -60.00 -170.00 141.62 109.22 32.44 . . 0 "[ . 1 . 2 ]"
154 . 1 85 HIS C 1 86 THR N 1 86 THR CA 1 86 THR C -155.00 -65.00 -119.34 -142.03 -77.09 . . 0 "[ . 1 . 2 ]"
155 . 1 86 THR N 1 86 THR CA 1 86 THR C 1 87 LEU N 110.00 -110.00 152.75 138.58 166.47 . . 0 "[ . 1 . 2 ]"
156 . 1 86 THR C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -155.00 -65.00 -113.20 -115.95 -117.19 . . 0 "[ . 1 . 2 ]"
157 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 PRO N 110.00 -110.00 142.95 109.87 165.19 0.13 5 0 "[ . 1 . 2 ]"
158 . 1 87 LEU C 1 88 PRO N 1 88 PRO CA 1 88 PRO C -155.00 -65.00 -67.58 -64.98 -68.19 0.09 5 0 "[ . 1 . 2 ]"
159 . 1 11 GLU N 1 11 GLU CA 1 11 GLU CB 1 11 GLU CG -90.00 -30.00 -67.52 -66.58 -66.79 . . 0 "[ . 1 . 2 ]"
160 . 1 12 LEU N 1 12 LEU CA 1 12 LEU CB 1 12 LEU CG -90.00 -30.00 -64.87 -65.68 -64.03 . . 0 "[ . 1 . 2 ]"
161 . 1 14 SER N 1 14 SER CA 1 14 SER CB 1 14 SER OG -90.00 -30.00 -63.51 -59.83 -61.69 . . 0 "[ . 1 . 2 ]"
162 . 1 15 LYS N 1 15 LYS CA 1 15 LYS CB 1 15 LYS CG 30.00 90.00 65.90 62.01 66.55 . . 0 "[ . 1 . 2 ]"
163 . 1 16 ILE N 1 16 ILE CA 1 16 ILE CB 1 16 ILE CG1 -90.00 -30.00 -60.48 -59.87 -59.98 . . 0 "[ . 1 . 2 ]"
164 . 1 17 SER N 1 17 SER CA 1 17 SER CB 1 17 SER OG 150.00 -150.00 -175.40 -175.04 -175.06 . . 0 "[ . 1 . 2 ]"
165 . 1 18 LEU N 1 18 LEU CA 1 18 LEU CB 1 18 LEU CG 150.00 -150.00 -160.35 -160.09 -160.30 . . 0 "[ . 1 . 2 ]"
166 . 1 19 ILE N 1 19 ILE CA 1 19 ILE CB 1 19 ILE CG1 -90.00 -30.00 -59.72 -59.64 -59.70 . . 0 "[ . 1 . 2 ]"
167 . 1 20 SER N 1 20 SER CA 1 20 SER CB 1 20 SER OG -90.00 -30.00 -58.54 -62.72 -52.29 . . 0 "[ . 1 . 2 ]"
168 . 1 23 ASP N 1 23 ASP CA 1 23 ASP CB 1 23 ASP CG -90.00 90.00 -65.19 -68.53 -69.12 . . 0 "[ . 1 . 2 ]"
169 . 1 24 ILE N 1 24 ILE CA 1 24 ILE CB 1 24 ILE CG1 -90.00 -30.00 -55.23 -55.96 -56.38 . . 0 "[ . 1 . 2 ]"
170 . 1 25 ARG N 1 25 ARG CA 1 25 ARG CB 1 25 ARG CG 150.00 -150.00 -170.17 -171.47 -162.05 . . 0 "[ . 1 . 2 ]"
171 . 1 26 TYR N 1 26 TYR CA 1 26 TYR CB 1 26 TYR CG -90.00 -30.00 -67.75 -67.15 -67.43 . . 0 "[ . 1 . 2 ]"
172 . 1 29 ARG N 1 29 ARG CA 1 29 ARG CB 1 29 ARG CG -90.00 -30.00 -67.13 -65.02 -65.81 . . 0 "[ . 1 . 2 ]"
173 . 1 30 LEU N 1 30 LEU CA 1 30 LEU CB 1 30 LEU CG 150.00 -150.00 -171.71 -173.32 -169.31 . . 0 "[ . 1 . 2 ]"
174 . 1 31 TYR N 1 31 TYR CA 1 31 TYR CB 1 31 TYR CG 150.00 -150.00 -171.90 -173.77 -167.88 . . 0 "[ . 1 . 2 ]"
175 . 1 32 THR N 1 32 THR CA 1 32 THR CB 1 32 THR OG1 30.00 90.00 46.43 44.93 50.27 . . 0 "[ . 1 . 2 ]"
176 . 1 33 VAL N 1 33 VAL CA 1 33 VAL CB 1 33 VAL CG1 30.00 90.00 62.69 61.14 62.93 . . 0 "[ . 1 . 2 ]"
177 . 1 34 ASP N 1 34 ASP CA 1 34 ASP CB 1 34 ASP CG 150.00 -150.00 -157.26 -159.67 -160.94 . . 0 "[ . 1 . 2 ]"
178 . 1 37 GLU N 1 37 GLU CA 1 37 GLU CB 1 37 GLU CG -90.00 90.00 -67.01 -70.20 -65.88 . . 0 "[ . 1 . 2 ]"
179 . 1 38 CYS N 1 38 CYS CA 1 38 CYS CB 1 38 CYS SG -90.00 90.00 -75.48 -77.35 -77.45 . . 0 "[ . 1 . 2 ]"
180 . 1 39 THR N 1 39 THR CA 1 39 THR CB 1 39 THR OG1 30.00 90.00 46.67 43.89 53.44 . . 0 "[ . 1 . 2 ]"
181 . 1 40 ILE N 1 40 ILE CA 1 40 ILE CB 1 40 ILE CG1 30.00 90.00 57.70 57.64 57.63 . . 0 "[ . 1 . 2 ]"
182 . 1 42 LEU N 1 42 LEU CA 1 42 LEU CB 1 42 LEU CG -90.00 -30.00 -63.27 -66.12 -61.97 . . 0 "[ . 1 . 2 ]"
183 . 1 43 SER N 1 43 SER CA 1 43 SER CB 1 43 SER OG 30.00 90.00 64.61 64.75 64.64 . . 0 "[ . 1 . 2 ]"
184 . 1 44 SER N 1 44 SER CA 1 44 SER CB 1 44 SER OG 30.00 90.00 75.76 75.80 75.75 . . 0 "[ . 1 . 2 ]"
185 . 1 45 VAL N 1 45 VAL CA 1 45 VAL CB 1 45 VAL CG1 30.00 90.00 63.03 61.49 63.63 . . 0 "[ . 1 . 2 ]"
186 . 1 47 SER N 1 47 SER CA 1 47 SER CB 1 47 SER OG 30.00 90.00 68.92 69.43 69.02 . . 0 "[ . 1 . 2 ]"
187 . 1 48 PHE N 1 48 PHE CA 1 48 PHE CB 1 48 PHE CG -90.00 -30.00 -72.95 -68.55 -69.17 . . 0 "[ . 1 . 2 ]"
188 . 1 50 THR N 1 50 THR CA 1 50 THR CB 1 50 THR OG1 30.00 90.00 44.05 42.77 38.69 . . 0 "[ . 1 . 2 ]"
189 . 1 52 ASP N 1 52 ASP CA 1 52 ASP CB 1 52 ASP CG -90.00 90.00 -66.33 -69.85 -66.02 . . 0 "[ . 1 . 2 ]"
190 . 1 53 ARG N 1 53 ARG CA 1 53 ARG CB 1 53 ARG CG -90.00 -30.00 -72.64 -83.82 -65.49 . . 0 "[ . 1 . 2 ]"
191 . 1 54 ASP N 1 54 ASP CA 1 54 ASP CB 1 54 ASP CG 30.00 90.00 62.58 63.79 63.73 . . 0 "[ . 1 . 2 ]"
192 . 1 55 THR N 1 55 THR CA 1 55 THR CB 1 55 THR OG1 -90.00 90.00 -38.21 -50.12 -50.15 . . 0 "[ . 1 . 2 ]"
193 . 1 56 GLN N 1 56 GLN CA 1 56 GLN CB 1 56 GLN CG 30.00 90.00 60.44 54.13 65.18 . . 0 "[ . 1 . 2 ]"
194 . 1 57 PHE N 1 57 PHE CA 1 57 PHE CB 1 57 PHE CG -90.00 -30.00 -85.86 -90.07 -77.39 0.07 12 0 "[ . 1 . 2 ]"
195 . 1 59 ILE N 1 59 ILE CA 1 59 ILE CB 1 59 ILE CG1 -90.00 -30.00 -57.97 -58.82 -58.90 . . 0 "[ . 1 . 2 ]"
196 . 1 62 GLN N 1 62 GLN CA 1 62 GLN CB 1 62 GLN CG -90.00 90.00 -67.21 -67.80 -66.38 . . 0 "[ . 1 . 2 ]"
197 . 1 65 ILE N 1 65 ILE CA 1 65 ILE CB 1 65 ILE CG1 -90.00 -30.00 -56.32 -57.23 -54.70 . . 0 "[ . 1 . 2 ]"
198 . 1 66 TYR N 1 66 TYR CA 1 66 TYR CB 1 66 TYR CG -90.00 -30.00 -68.67 -87.00 -60.66 . . 0 "[ . 1 . 2 ]"
199 . 1 69 ILE N 1 69 ILE CA 1 69 ILE CB 1 69 ILE CG1 -90.00 -30.00 -61.83 -61.89 -62.03 . . 0 "[ . 1 . 2 ]"
200 . 1 70 LEU N 1 70 LEU CA 1 70 LEU CB 1 70 LEU CG 150.00 -150.00 -172.74 -174.31 -171.53 . . 0 "[ . 1 . 2 ]"
201 . 1 71 PHE N 1 71 PHE CA 1 71 PHE CB 1 71 PHE CG -90.00 -30.00 -88.37 -88.45 -88.97 0.10 23 0 "[ . 1 . 2 ]"
202 . 1 72 ARG N 1 72 ARG CA 1 72 ARG CB 1 72 ARG CG -90.00 90.00 -66.44 -66.38 -66.57 . . 0 "[ . 1 . 2 ]"
203 . 1 75 ASP N 1 75 ASP CA 1 75 ASP CB 1 75 ASP CG 30.00 90.00 60.42 61.21 61.07 . . 0 "[ . 1 . 2 ]"
204 . 1 76 ILE N 1 76 ILE CA 1 76 ILE CB 1 76 ILE CG1 -90.00 -30.00 -78.01 -81.95 -63.28 . . 0 "[ . 1 . 2 ]"
205 . 1 77 LYS N 1 77 LYS CA 1 77 LYS CB 1 77 LYS CG 150.00 -150.00 -169.22 -170.09 -168.58 . . 0 "[ . 1 . 2 ]"
206 . 1 78 ASP N 1 78 ASP CA 1 78 ASP CB 1 78 ASP CG 150.00 -150.00 -169.42 -166.93 -169.11 . . 0 "[ . 1 . 2 ]"
207 . 1 79 ILE N 1 79 ILE CA 1 79 ILE CB 1 79 ILE CG1 150.00 -150.00 -177.99 -179.79 -177.06 . . 0 "[ . 1 . 2 ]"
208 . 1 80 ARG N 1 80 ARG CA 1 80 ARG CB 1 80 ARG CG -90.00 -30.00 -69.97 -68.12 -69.62 . . 0 "[ . 1 . 2 ]"
209 . 1 12 LEU CA 1 12 LEU CB 1 12 LEU CG 1 12 LEU CD1 150.00 -150.00 168.12 162.69 169.98 . . 0 "[ . 1 . 2 ]"
210 . 1 16 ILE CA 1 16 ILE CB 1 16 ILE CG1 1 16 ILE CD1 150.00 -150.00 171.11 171.20 170.95 . . 0 "[ . 1 . 2 ]"
211 . 1 18 LEU CA 1 18 LEU CB 1 18 LEU CG 1 18 LEU CD1 30.00 90.00 69.22 66.74 70.54 . . 0 "[ . 1 . 2 ]"
212 . 1 19 ILE CA 1 19 ILE CB 1 19 ILE CG1 1 19 ILE CD1 150.00 -150.00 168.17 168.07 167.97 . . 0 "[ . 1 . 2 ]"
213 . 1 24 ILE CA 1 24 ILE CB 1 24 ILE CG1 1 24 ILE CD1 150.00 -150.00 173.88 172.07 175.15 . . 0 "[ . 1 . 2 ]"
214 . 1 30 LEU CA 1 30 LEU CB 1 30 LEU CG 1 30 LEU CD1 30.00 90.00 75.15 70.06 78.99 . . 0 "[ . 1 . 2 ]"
215 . 1 40 ILE CA 1 40 ILE CB 1 40 ILE CG1 1 40 ILE CD1 150.00 -150.00 167.70 167.60 167.56 . . 0 "[ . 1 . 2 ]"
216 . 1 42 LEU CA 1 42 LEU CB 1 42 LEU CG 1 42 LEU CD1 150.00 -150.00 170.17 163.43 172.06 . . 0 "[ . 1 . 2 ]"
217 . 1 65 ILE CA 1 65 ILE CB 1 65 ILE CG1 1 65 ILE CD1 -90.00 -30.00 -58.26 -58.67 -58.94 . . 0 "[ . 1 . 2 ]"
218 . 1 69 ILE CA 1 69 ILE CB 1 69 ILE CG1 1 69 ILE CD1 150.00 -150.00 177.68 178.10 177.92 . . 0 "[ . 1 . 2 ]"
219 . 1 70 LEU CA 1 70 LEU CB 1 70 LEU CG 1 70 LEU CD1 30.00 90.00 71.88 70.92 75.88 . . 0 "[ . 1 . 2 ]"
220 . 1 76 ILE CA 1 76 ILE CB 1 76 ILE CG1 1 76 ILE CD1 150.00 -150.00 156.54 150.00 -174.20 . . 0 "[ . 1 . 2 ]"
221 . 1 79 ILE CA 1 79 ILE CB 1 79 ILE CG1 1 79 ILE CD1 150.00 -150.00 164.97 165.42 165.32 . . 0 "[ . 1 . 2 ]"
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