NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
455429 |
2khx   |
16256 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2khx
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 183
_TA_constraint_stats_list.Viol_count 171
_TA_constraint_stats_list.Viol_total 1875.99
_TA_constraint_stats_list.Viol_max 4.63
_TA_constraint_stats_list.Viol_rms 0.41
_TA_constraint_stats_list.Viol_average_all_restraints 0.10
_TA_constraint_stats_list.Viol_average_violations_only 1.10
_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 SER N 1 5 SER CA 1 5 SER CB 1 5 SER OG -90.00 -30.00 -66.46 -60.35 -67.06 . . 0 "[ . 1]"
2 . 1 6 GLN N 1 6 GLN CA 1 6 GLN CB 1 6 GLN CG -90.00 -30.00 -69.22 -69.74 -77.39 . . 0 "[ . 1]"
3 . 1 7 LEU N 1 7 LEU CA 1 7 LEU CB 1 7 LEU CG -90.00 -30.00 -71.85 -70.70 -78.68 . . 0 "[ . 1]"
4 . 1 8 GLN N 1 8 GLN CA 1 8 GLN CB 1 8 GLN CG -90.00 -30.00 -69.29 -73.09 -65.38 . . 0 "[ . 1]"
5 . 1 9 GLN N 1 9 GLN CA 1 9 GLN CB 1 9 GLN CG -90.00 -30.00 -69.25 -66.22 -68.92 . . 0 "[ . 1]"
6 . 1 10 CYS N 1 10 CYS CA 1 10 CYS CB 1 10 CYS SG -90.00 -30.00 -66.80 -68.64 -64.91 . . 0 "[ . 1]"
7 . 1 11 CYS N 1 11 CYS CA 1 11 CYS CB 1 11 CYS SG -90.00 -30.00 -64.29 -67.00 -60.89 . . 0 "[ . 1]"
8 . 1 12 LEU N 1 12 LEU CA 1 12 LEU CB 1 12 LEU CG -90.00 -30.00 -73.17 -66.68 -68.00 . . 0 "[ . 1]"
9 . 1 13 THR N 1 13 THR CA 1 13 THR CB 1 13 THR OG1 30.00 90.00 57.84 53.80 60.35 . . 0 "[ . 1]"
10 . 1 14 LEU N 1 14 LEU CA 1 14 LEU CB 1 14 LEU CG -90.00 -30.00 -57.49 -59.88 -53.30 . . 0 "[ . 1]"
11 . 1 15 ARG N 1 15 ARG CA 1 15 ARG CB 1 15 ARG CG -90.00 -30.00 -64.26 -65.20 -68.40 . . 0 "[ . 1]"
12 . 1 16 THR N 1 16 THR CA 1 16 THR CB 1 16 THR OG1 -90.00 -30.00 -45.82 -46.42 -49.79 . . 0 "[ . 1]"
13 . 1 17 GLU N 1 17 GLU CA 1 17 GLU CB 1 17 GLU CG 150.00 -150.00 -173.34 -178.65 -166.76 . . 0 "[ . 1]"
14 . 1 19 LYS N 1 19 LYS CA 1 19 LYS CB 1 19 LYS CG -90.00 -30.00 -64.72 -71.65 -32.27 . . 0 "[ . 1]"
15 . 1 20 GLU N 1 20 GLU CA 1 20 GLU CB 1 20 GLU CG -90.00 -30.00 -77.32 -72.90 -74.48 . . 0 "[ . 1]"
16 . 1 22 ASP N 1 22 ASP CA 1 22 ASP CB 1 22 ASP CG -90.00 -30.00 -69.55 -67.28 -69.00 . . 0 "[ . 1]"
17 . 1 23 ILE N 1 23 ILE CA 1 23 ILE CB 1 23 ILE CG1 -90.00 -30.00 -38.06 -42.88 -48.19 0.28 5 0 "[ . 1]"
18 . 1 25 LEU N 1 25 LEU CA 1 25 LEU CB 1 25 LEU CG -90.00 -30.00 -67.92 -83.43 -52.44 . . 0 "[ . 1]"
19 . 1 26 TYR N 1 26 TYR CA 1 26 TYR CB 1 26 TYR CG -90.00 -30.00 -71.87 -74.03 -81.59 . . 0 "[ . 1]"
20 . 1 27 LYS N 1 27 LYS CA 1 27 LYS CB 1 27 LYS CG 150.00 -150.00 -169.59 -175.89 -160.96 . . 0 "[ . 1]"
21 . 1 28 THR N 1 28 THR CA 1 28 THR CB 1 28 THR OG1 -90.00 -30.00 -53.61 -50.78 -51.61 . . 0 "[ . 1]"
22 . 1 29 LEU N 1 29 LEU CA 1 29 LEU CB 1 29 LEU CG -90.00 -30.00 -57.22 -70.06 -52.61 . . 0 "[ . 1]"
23 . 1 30 GLN N 1 30 GLN CA 1 30 GLN CB 1 30 GLN CG -90.00 -30.00 -66.54 -65.39 -65.42 . . 0 "[ . 1]"
24 . 1 31 THR N 1 31 THR CA 1 31 THR CB 1 31 THR OG1 30.00 90.00 71.74 80.17 74.91 . . 0 "[ . 1]"
25 . 1 35 SER N 1 35 SER CA 1 35 SER CB 1 35 SER OG 150.00 -150.00 172.32 170.91 168.08 . . 0 "[ . 1]"
26 . 1 36 HIS N 1 36 HIS CA 1 36 HIS CB 1 36 HIS CG -90.00 -30.00 -63.39 -72.52 -52.58 . . 0 "[ . 1]"
27 . 1 38 ARG N 1 38 ARG CA 1 38 ARG CB 1 38 ARG CG -90.00 -30.00 -67.28 -69.94 -63.46 . . 0 "[ . 1]"
28 . 1 39 THR N 1 39 THR CA 1 39 THR CB 1 39 THR OG1 -90.00 -30.00 -59.21 -62.76 -55.49 . . 0 "[ . 1]"
29 . 1 40 TYR N 1 40 TYR CA 1 40 TYR CB 1 40 TYR CG -90.00 -30.00 -66.54 -65.34 -66.39 . . 0 "[ . 1]"
30 . 1 41 THR N 1 41 THR CA 1 41 THR CB 1 41 THR OG1 -90.00 -30.00 -58.24 -62.19 -54.37 . . 0 "[ . 1]"
31 . 1 45 TYR N 1 45 TYR CA 1 45 TYR CB 1 45 TYR CG -90.00 -30.00 -65.18 -68.73 -62.46 . . 0 "[ . 1]"
32 . 1 46 PHE N 1 46 PHE CA 1 46 PHE CB 1 46 PHE CG 150.00 -150.00 176.65 177.13 174.66 . . 0 "[ . 1]"
33 . 1 47 LYS N 1 47 LYS CA 1 47 LYS CB 1 47 LYS CG -90.00 -30.00 -68.82 -53.23 -62.59 . . 0 "[ . 1]"
34 . 1 49 GLU N 1 49 GLU CA 1 49 GLU CB 1 49 GLU CG -90.00 -30.00 -65.36 -63.54 -63.63 . . 0 "[ . 1]"
35 . 1 50 ARG N 1 50 ARG CA 1 50 ARG CB 1 50 ARG CG 150.00 -150.00 -174.41 -177.49 -166.17 . . 0 "[ . 1]"
36 . 1 51 ILE N 1 51 ILE CA 1 51 ILE CB 1 51 ILE CG1 30.00 90.00 57.43 41.76 62.79 . . 0 "[ . 1]"
37 . 1 55 LYS N 1 55 LYS CA 1 55 LYS CB 1 55 LYS CG -90.00 -30.00 -65.51 -64.04 -65.10 . . 0 "[ . 1]"
38 . 1 58 SER N 1 58 SER CA 1 58 SER CB 1 58 SER OG 30.00 90.00 77.91 81.51 69.43 . . 0 "[ . 1]"
39 . 1 59 ILE N 1 59 ILE CA 1 59 ILE CB 1 59 ILE CG1 -90.00 -30.00 -53.89 -55.42 -52.54 . . 0 "[ . 1]"
40 . 1 60 GLN N 1 60 GLN CA 1 60 GLN CB 1 60 GLN CG -90.00 -30.00 -66.29 -68.04 -68.18 . . 0 "[ . 1]"
41 . 1 61 GLN N 1 61 GLN CA 1 61 GLN CB 1 61 GLN CG -90.00 -30.00 -72.93 -91.30 -62.05 1.30 2 0 "[ . 1]"
42 . 1 63 GLU N 1 63 GLU CA 1 63 GLU CB 1 63 GLU CG -90.00 -30.00 -68.31 -65.56 -67.53 . . 0 "[ . 1]"
43 . 1 64 MET N 1 64 MET CA 1 64 MET CB 1 64 MET CG -90.00 -30.00 -72.21 -80.75 -62.14 . . 0 "[ . 1]"
44 . 1 69 ASP N 1 69 ASP CA 1 69 ASP CB 1 69 ASP CG -90.00 -30.00 -77.31 -84.41 -67.45 . . 0 "[ . 1]"
45 . 1 71 LEU N 1 71 LEU CA 1 71 LEU CB 1 71 LEU CG -90.00 -30.00 -75.30 -84.75 -65.89 . . 0 "[ . 1]"
46 . 1 72 GLU N 1 72 GLU CA 1 72 GLU CB 1 72 GLU CG -90.00 -30.00 -62.50 -67.53 -58.56 . . 0 "[ . 1]"
47 . 1 73 LYS N 1 73 LYS CA 1 73 LYS CB 1 73 LYS CG -90.00 -30.00 -59.74 -61.44 -61.97 . . 0 "[ . 1]"
48 . 1 74 TYR N 1 74 TYR CA 1 74 TYR CB 1 74 TYR CG -90.00 -30.00 -89.08 -88.38 -89.49 2.91 8 0 "[ . 1]"
49 . 1 75 ASN N 1 75 ASN CA 1 75 ASN CB 1 75 ASN CG -90.00 -30.00 -66.92 -69.43 -72.18 . . 0 "[ . 1]"
50 . 1 76 PHE N 1 76 PHE CA 1 76 PHE CB 1 76 PHE CG -90.00 -30.00 -59.99 -75.64 -28.79 1.21 4 0 "[ . 1]"
51 . 1 78 GLN N 1 78 GLN CA 1 78 GLN CB 1 78 GLN CG -90.00 -30.00 -60.21 -67.93 -73.09 . . 0 "[ . 1]"
52 . 1 4 LYS C 1 5 SER N 1 5 SER CA 1 5 SER C -71.26 -51.26 -58.73 -61.45 -52.09 . . 0 "[ . 1]"
53 . 1 5 SER C 1 6 GLN N 1 6 GLN CA 1 6 GLN C -76.62 -56.62 -60.60 -67.40 -54.51 2.11 7 0 "[ . 1]"
54 . 1 6 GLN C 1 7 LEU N 1 7 LEU CA 1 7 LEU C -72.73 -52.73 -64.40 -67.87 -62.89 . . 0 "[ . 1]"
55 . 1 7 LEU C 1 8 GLN N 1 8 GLN CA 1 8 GLN C -71.80 -51.80 -62.25 -65.31 -54.10 . . 0 "[ . 1]"
56 . 1 8 GLN C 1 9 GLN N 1 9 GLN CA 1 9 GLN C -73.80 -53.80 -65.70 -70.51 -62.95 . . 0 "[ . 1]"
57 . 1 9 GLN C 1 10 CYS N 1 10 CYS CA 1 10 CYS C -75.14 -55.14 -64.69 -64.90 -64.92 . . 0 "[ . 1]"
58 . 1 10 CYS C 1 11 CYS N 1 11 CYS CA 1 11 CYS C -71.35 -51.35 -57.67 -56.74 -59.18 0.21 10 0 "[ . 1]"
59 . 1 11 CYS C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -78.89 -58.89 -63.53 -63.48 -63.86 . . 0 "[ . 1]"
60 . 1 12 LEU C 1 13 THR N 1 13 THR CA 1 13 THR C -114.86 -54.86 -65.66 -67.76 -63.88 . . 0 "[ . 1]"
61 . 1 13 THR C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -138.09 -58.09 -76.37 -85.68 -68.19 . . 0 "[ . 1]"
62 . 1 14 LEU C 1 15 ARG N 1 15 ARG CA 1 15 ARG C -117.68 -37.68 -118.09 -119.19 -119.51 2.34 9 0 "[ . 1]"
63 . 1 15 ARG C 1 16 THR N 1 16 THR CA 1 16 THR C -128.84 -48.84 -125.92 -129.29 -129.49 0.81 1 0 "[ . 1]"
64 . 1 16 THR C 1 17 GLU N 1 17 GLU CA 1 17 GLU C -129.20 -49.20 -107.15 -129.54 -66.65 0.34 10 0 "[ . 1]"
65 . 1 17 GLU C 1 18 GLY N 1 18 GLY CA 1 18 GLY C 51.38 131.38 80.47 89.67 88.37 . . 0 "[ . 1]"
66 . 1 18 GLY C 1 19 LYS N 1 19 LYS CA 1 19 LYS C -139.30 -79.30 -132.88 -138.41 -138.63 1.10 6 0 "[ . 1]"
67 . 1 19 LYS C 1 20 GLU N 1 20 GLU CA 1 20 GLU C -155.25 -95.25 -97.16 -117.74 -92.43 2.82 1 0 "[ . 1]"
68 . 1 21 PRO C 1 22 ASP N 1 22 ASP CA 1 22 ASP C -141.77 -81.77 -98.45 -86.49 -90.83 2.05 10 0 "[ . 1]"
69 . 1 22 ASP C 1 23 ILE N 1 23 ILE CA 1 23 ILE C -147.21 -107.21 -140.31 -148.02 -148.67 1.46 1 0 "[ . 1]"
70 . 1 24 PRO C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -145.19 -105.19 -124.37 -139.12 -106.11 . . 0 "[ . 1]"
71 . 1 25 LEU C 1 26 TYR N 1 26 TYR CA 1 26 TYR C -138.31 -78.31 -79.87 -78.52 -79.00 1.17 4 0 "[ . 1]"
72 . 1 26 TYR C 1 27 LYS N 1 27 LYS CA 1 27 LYS C -176.08 -116.08 -142.84 -143.49 -145.23 . . 0 "[ . 1]"
73 . 1 27 LYS C 1 28 THR N 1 28 THR CA 1 28 THR C -122.74 -62.74 -76.45 -63.44 -63.83 . . 0 "[ . 1]"
74 . 1 28 THR C 1 29 LEU N 1 29 LEU CA 1 29 LEU C -133.03 -73.03 -81.65 -87.00 -87.74 . . 0 "[ . 1]"
75 . 1 29 LEU C 1 30 GLN N 1 30 GLN CA 1 30 GLN C -169.54 -109.54 -108.02 -106.44 -107.08 3.10 2 0 "[ . 1]"
76 . 1 30 GLN C 1 31 THR N 1 31 THR CA 1 31 THR C -113.39 -53.39 -85.75 -99.35 -62.55 . . 0 "[ . 1]"
77 . 1 31 THR C 1 32 VAL N 1 32 VAL CA 1 32 VAL C -156.19 -96.19 -141.32 -133.55 -136.11 . . 0 "[ . 1]"
78 . 1 32 VAL C 1 33 GLY N 1 33 GLY CA 1 33 GLY C -139.89 -99.89 -142.70 -142.46 -142.80 4.63 10 0 "[ . 1]"
79 . 1 34 PRO C 1 35 SER N 1 35 SER CA 1 35 SER C -91.47 -31.47 -90.72 -90.30 -91.86 1.72 7 0 "[ . 1]"
80 . 1 35 SER C 1 36 HIS N 1 36 HIS CA 1 36 HIS C -118.73 -58.73 -59.35 -60.36 -61.38 1.12 10 0 "[ . 1]"
81 . 1 36 HIS C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -119.35 -39.35 -63.55 -67.14 -59.76 . . 0 "[ . 1]"
82 . 1 37 ALA C 1 38 ARG N 1 38 ARG CA 1 38 ARG C -138.63 -58.63 -116.54 -129.90 -101.87 . . 0 "[ . 1]"
83 . 1 38 ARG C 1 39 THR N 1 39 THR CA 1 39 THR C -125.24 -45.24 -122.29 -121.72 -123.03 0.68 1 0 "[ . 1]"
84 . 1 39 THR C 1 40 TYR N 1 40 TYR CA 1 40 TYR C -140.00 -80.00 -99.26 -96.95 -98.51 . . 0 "[ . 1]"
85 . 1 40 TYR C 1 41 THR N 1 41 THR CA 1 41 THR C -126.79 -66.79 -127.33 -127.42 -127.56 1.24 6 0 "[ . 1]"
86 . 1 41 THR C 1 42 VAL N 1 42 VAL CA 1 42 VAL C -141.99 -101.99 -117.92 -121.57 -111.44 . . 0 "[ . 1]"
87 . 1 42 VAL C 1 43 ALA N 1 43 ALA CA 1 43 ALA C -129.53 -89.53 -129.96 -130.83 -128.82 1.30 7 0 "[ . 1]"
88 . 1 43 ALA C 1 44 VAL N 1 44 VAL CA 1 44 VAL C -146.96 -106.96 -110.38 -107.82 -109.67 1.05 2 0 "[ . 1]"
89 . 1 44 VAL C 1 45 TYR N 1 45 TYR CA 1 45 TYR C -144.60 -104.60 -109.57 -108.93 -112.59 . . 0 "[ . 1]"
90 . 1 45 TYR C 1 46 PHE N 1 46 PHE CA 1 46 PHE C -170.59 -110.59 -138.90 -149.43 -126.69 . . 0 "[ . 1]"
91 . 1 46 PHE C 1 47 LYS N 1 47 LYS CA 1 47 LYS C 26.67 86.67 48.09 49.25 47.84 . . 0 "[ . 1]"
92 . 1 47 LYS C 1 48 GLY N 1 48 GLY CA 1 48 GLY C 34.25 114.25 84.24 78.35 90.99 . . 0 "[ . 1]"
93 . 1 48 GLY C 1 49 GLU N 1 49 GLU CA 1 49 GLU C -161.75 -101.75 -115.53 -125.98 -106.50 . . 0 "[ . 1]"
94 . 1 49 GLU C 1 50 ARG N 1 50 ARG CA 1 50 ARG C -103.87 -23.87 -80.20 -96.84 -66.53 . . 0 "[ . 1]"
95 . 1 50 ARG C 1 51 ILE N 1 51 ILE CA 1 51 ILE C -145.27 -65.27 -124.21 -81.35 -118.28 . . 0 "[ . 1]"
96 . 1 51 ILE C 1 52 GLY N 1 52 GLY CA 1 52 GLY C 132.90 -147.10 -158.38 -147.51 -151.03 . . 0 "[ . 1]"
97 . 1 54 GLY C 1 55 LYS N 1 55 LYS CA 1 55 LYS C -150.02 -110.02 -134.60 -142.39 -109.95 0.07 1 0 "[ . 1]"
98 . 1 55 LYS C 1 56 GLY N 1 56 GLY CA 1 56 GLY C 176.60 -143.40 -165.42 -164.96 -167.11 . . 0 "[ . 1]"
99 . 1 57 PRO C 1 58 SER N 1 58 SER CA 1 58 SER C -105.21 -65.21 -89.86 -105.32 -76.28 0.11 4 0 "[ . 1]"
100 . 1 58 SER C 1 59 ILE N 1 59 ILE CA 1 59 ILE C -70.34 -50.34 -65.30 -67.79 -63.83 . . 0 "[ . 1]"
101 . 1 59 ILE C 1 60 GLN N 1 60 GLN CA 1 60 GLN C -72.15 -52.15 -54.38 -51.57 -53.06 0.58 2 0 "[ . 1]"
102 . 1 60 GLN C 1 61 GLN N 1 61 GLN CA 1 61 GLN C -73.07 -53.07 -64.46 -67.30 -60.01 . . 0 "[ . 1]"
103 . 1 61 GLN C 1 62 ALA N 1 62 ALA CA 1 62 ALA C -70.35 -50.35 -65.29 -68.55 -62.25 . . 0 "[ . 1]"
104 . 1 62 ALA C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -75.51 -55.51 -65.45 -61.58 -64.84 . . 0 "[ . 1]"
105 . 1 63 GLU C 1 64 MET N 1 64 MET CA 1 64 MET C -73.65 -53.65 -63.68 -66.51 -61.59 . . 0 "[ . 1]"
106 . 1 64 MET C 1 65 GLY N 1 65 GLY CA 1 65 GLY C -74.20 -54.20 -65.46 -63.31 -63.92 . . 0 "[ . 1]"
107 . 1 65 GLY C 1 66 ALA N 1 66 ALA CA 1 66 ALA C -73.85 -53.85 -67.11 -67.56 -69.92 . . 0 "[ . 1]"
108 . 1 66 ALA C 1 67 ALA N 1 67 ALA CA 1 67 ALA C -72.67 -52.67 -61.58 -68.29 -56.01 . . 0 "[ . 1]"
109 . 1 68 MET C 1 69 ASP N 1 69 ASP CA 1 69 ASP C -68.02 -48.02 -66.58 -68.90 -63.52 0.88 10 0 "[ . 1]"
110 . 1 69 ASP C 1 70 ALA N 1 70 ALA CA 1 70 ALA C -77.17 -57.17 -59.07 -62.34 -56.47 0.70 4 0 "[ . 1]"
111 . 1 70 ALA C 1 71 LEU N 1 71 LEU CA 1 71 LEU C -87.35 -47.35 -61.53 -61.32 -61.72 . . 0 "[ . 1]"
112 . 1 71 LEU C 1 72 GLU N 1 72 GLU CA 1 72 GLU C -112.97 -52.97 -89.50 -75.09 -82.98 . . 0 "[ . 1]"
113 . 1 72 GLU C 1 73 LYS N 1 73 LYS CA 1 73 LYS C -155.09 -75.09 -131.96 -146.24 -117.70 . . 0 "[ . 1]"
114 . 1 73 LYS C 1 74 TYR N 1 74 TYR CA 1 74 TYR C -117.35 -37.35 -103.29 -116.01 -77.36 . . 0 "[ . 1]"
115 . 1 74 TYR C 1 75 ASN N 1 75 ASN CA 1 75 ASN C -148.09 -48.09 -117.34 -137.12 -101.13 . . 0 "[ . 1]"
116 . 1 75 ASN C 1 76 PHE N 1 76 PHE CA 1 76 PHE C -131.18 -31.18 -38.72 -49.27 -30.39 0.79 6 0 "[ . 1]"
117 . 1 77 PRO C 1 78 GLN N 1 78 GLN CA 1 78 GLN C -138.05 -38.05 -43.97 -37.49 -38.10 1.16 2 0 "[ . 1]"
118 . 1 5 SER N 1 5 SER CA 1 5 SER C 1 6 GLN N -52.31 -30.31 -37.17 -45.23 -28.05 2.26 7 0 "[ . 1]"
119 . 1 6 GLN N 1 6 GLN CA 1 6 GLN C 1 7 LEU N -52.04 -30.04 -46.91 -53.01 -40.91 0.97 3 0 "[ . 1]"
120 . 1 7 LEU N 1 7 LEU CA 1 7 LEU C 1 8 GLN N -51.70 -29.70 -41.22 -42.97 -39.29 . . 0 "[ . 1]"
121 . 1 8 GLN N 1 8 GLN CA 1 8 GLN C 1 9 GLN N -52.91 -30.91 -43.56 -44.35 -44.73 . . 0 "[ . 1]"
122 . 1 9 GLN N 1 9 GLN CA 1 9 GLN C 1 10 CYS N -53.02 -31.02 -39.37 -38.61 -39.27 . . 0 "[ . 1]"
123 . 1 10 CYS N 1 10 CYS CA 1 10 CYS C 1 11 CYS N -57.10 -35.10 -36.13 -37.36 -34.83 0.27 9 0 "[ . 1]"
124 . 1 11 CYS N 1 11 CYS CA 1 11 CYS C 1 12 LEU N -54.16 -32.16 -37.34 -36.69 -37.28 . . 0 "[ . 1]"
125 . 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 THR N -43.75 -21.75 -40.40 -41.25 -39.31 . . 0 "[ . 1]"
126 . 1 13 THR N 1 13 THR CA 1 13 THR C 1 14 LEU N -37.92 26.08 -30.53 -26.31 -29.19 . . 0 "[ . 1]"
127 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 ARG N 85.06 169.06 88.65 85.95 84.48 1.37 4 0 "[ . 1]"
128 . 1 15 ARG N 1 15 ARG CA 1 15 ARG C 1 16 THR N 111.52 -164.48 127.98 110.76 151.76 0.76 4 0 "[ . 1]"
129 . 1 16 THR N 1 16 THR CA 1 16 THR C 1 17 GLU N 96.83 -179.17 137.14 124.64 162.03 . . 0 "[ . 1]"
130 . 1 17 GLU N 1 17 GLU CA 1 17 GLU C 1 18 GLY N 90.72 174.72 126.63 90.59 146.73 0.13 6 0 "[ . 1]"
131 . 1 18 GLY N 1 18 GLY CA 1 18 GLY C 1 19 LYS N -41.22 42.78 8.21 7.11 7.11 . . 0 "[ . 1]"
132 . 1 19 LYS N 1 19 LYS CA 1 19 LYS C 1 20 GLU N 131.22 -164.78 -170.62 178.92 -163.48 1.30 10 0 "[ . 1]"
133 . 1 20 GLU N 1 20 GLU CA 1 20 GLU C 1 21 PRO N 107.63 171.63 117.41 105.95 151.05 1.68 6 0 "[ . 1]"
134 . 1 22 ASP N 1 22 ASP CA 1 22 ASP C 1 23 ILE N 124.95 -171.05 129.87 124.18 121.50 3.45 1 0 "[ . 1]"
135 . 1 23 ILE N 1 23 ILE CA 1 23 ILE C 1 24 PRO N 113.51 157.51 131.75 121.95 140.45 . . 0 "[ . 1]"
136 . 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 TYR N 117.27 161.27 151.22 140.43 160.67 . . 0 "[ . 1]"
137 . 1 26 TYR N 1 26 TYR CA 1 26 TYR C 1 27 LYS N 101.23 165.23 139.83 136.04 144.71 . . 0 "[ . 1]"
138 . 1 27 LYS N 1 27 LYS CA 1 27 LYS C 1 28 THR N 102.61 166.61 113.41 104.81 126.02 . . 0 "[ . 1]"
139 . 1 28 THR N 1 28 THR CA 1 28 THR C 1 29 LEU N 95.14 159.14 132.58 133.93 131.88 . . 0 "[ . 1]"
140 . 1 29 LEU N 1 29 LEU CA 1 29 LEU C 1 30 GLN N 124.70 -171.30 -171.82 -170.49 -172.20 2.08 2 0 "[ . 1]"
141 . 1 30 GLN N 1 30 GLN CA 1 30 GLN C 1 31 THR N 124.17 -171.83 139.01 126.01 152.73 . . 0 "[ . 1]"
142 . 1 31 THR N 1 31 THR CA 1 31 THR C 1 32 VAL N 113.58 177.58 115.52 112.74 122.56 0.84 6 0 "[ . 1]"
143 . 1 32 VAL N 1 32 VAL CA 1 32 VAL C 1 33 GLY N 123.76 -172.24 122.34 123.56 122.62 2.20 7 0 "[ . 1]"
144 . 1 33 GLY N 1 33 GLY CA 1 33 GLY C 1 34 PRO N 138.42 -177.58 164.14 166.09 160.69 . . 0 "[ . 1]"
145 . 1 35 SER N 1 35 SER CA 1 35 SER C 1 36 HIS N 100.13 164.13 165.04 165.22 165.16 1.38 2 0 "[ . 1]"
146 . 1 36 HIS N 1 36 HIS CA 1 36 HIS C 1 37 ALA N -64.48 -0.48 -12.56 -18.96 -6.73 . . 0 "[ . 1]"
147 . 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 ARG N 113.59 -162.41 144.11 138.66 148.46 . . 0 "[ . 1]"
148 . 1 38 ARG N 1 38 ARG CA 1 38 ARG C 1 39 THR N 112.13 -163.87 141.65 140.13 136.46 . . 0 "[ . 1]"
149 . 1 39 THR N 1 39 THR CA 1 39 THR C 1 40 TYR N 82.47 166.47 126.65 122.00 130.25 . . 0 "[ . 1]"
150 . 1 40 TYR N 1 40 TYR CA 1 40 TYR C 1 41 THR N 104.36 168.36 122.14 116.03 131.46 . . 0 "[ . 1]"
151 . 1 41 THR N 1 41 THR CA 1 41 THR C 1 42 VAL N 91.73 155.73 130.74 127.97 132.84 . . 0 "[ . 1]"
152 . 1 42 VAL N 1 42 VAL CA 1 42 VAL C 1 43 ALA N 121.79 165.79 129.76 128.43 128.00 . . 0 "[ . 1]"
153 . 1 43 ALA N 1 43 ALA CA 1 43 ALA C 1 44 VAL N 103.56 147.56 144.75 147.15 145.27 1.14 2 0 "[ . 1]"
154 . 1 44 VAL N 1 44 VAL CA 1 44 VAL C 1 45 TYR N 118.14 162.14 128.39 125.95 130.07 . . 0 "[ . 1]"
155 . 1 45 TYR N 1 45 TYR CA 1 45 TYR C 1 46 PHE N 129.25 173.25 137.84 129.00 144.33 0.25 2 0 "[ . 1]"
156 . 1 46 PHE N 1 46 PHE CA 1 46 PHE C 1 47 LYS N 101.15 165.15 108.86 119.33 110.37 0.57 4 0 "[ . 1]"
157 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 GLY N 12.44 76.44 33.80 27.71 39.81 . . 0 "[ . 1]"
158 . 1 48 GLY N 1 48 GLY CA 1 48 GLY C 1 49 GLU N -36.92 47.08 11.94 17.29 12.22 . . 0 "[ . 1]"
159 . 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 ARG N 93.84 157.84 128.29 129.71 121.47 . . 0 "[ . 1]"
160 . 1 50 ARG N 1 50 ARG CA 1 50 ARG C 1 51 ILE N 87.42 171.42 126.09 90.92 136.43 . . 0 "[ . 1]"
161 . 1 51 ILE N 1 51 ILE CA 1 51 ILE C 1 52 GLY N -61.40 22.60 15.08 -17.29 23.23 0.63 3 0 "[ . 1]"
162 . 1 52 GLY N 1 52 GLY CA 1 52 GLY C 1 53 CYS N 147.97 -128.03 151.75 151.63 148.35 0.67 5 0 "[ . 1]"
163 . 1 55 LYS N 1 55 LYS CA 1 55 LYS C 1 56 GLY N 132.62 176.62 146.20 141.20 151.30 . . 0 "[ . 1]"
164 . 1 56 GLY N 1 56 GLY CA 1 56 GLY C 1 57 PRO N 160.03 -155.97 171.94 176.90 173.20 . . 0 "[ . 1]"
165 . 1 58 SER N 1 58 SER CA 1 58 SER C 1 59 ILE N 152.90 -163.10 164.61 161.21 158.20 . . 0 "[ . 1]"
166 . 1 59 ILE N 1 59 ILE CA 1 59 ILE C 1 60 GLN N -47.85 -25.85 -43.49 -42.99 -43.81 . . 0 "[ . 1]"
167 . 1 60 GLN N 1 60 GLN CA 1 60 GLN C 1 61 GLN N -54.28 -32.28 -43.35 -45.05 -46.34 . . 0 "[ . 1]"
168 . 1 61 GLN N 1 61 GLN CA 1 61 GLN C 1 62 ALA N -55.95 -33.95 -40.31 -42.49 -37.81 . . 0 "[ . 1]"
169 . 1 62 ALA N 1 62 ALA CA 1 62 ALA C 1 63 GLU N -53.28 -31.28 -38.32 -37.90 -38.49 . . 0 "[ . 1]"
170 . 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 MET N -52.49 -30.49 -40.47 -50.22 -35.54 . . 0 "[ . 1]"
171 . 1 64 MET N 1 64 MET CA 1 64 MET C 1 65 GLY N -51.42 -29.42 -41.29 -39.28 -40.15 . . 0 "[ . 1]"
172 . 1 65 GLY N 1 65 GLY CA 1 65 GLY C 1 66 ALA N -48.30 -26.30 -46.21 -48.43 -49.68 1.38 1 0 "[ . 1]"
173 . 1 66 ALA N 1 66 ALA CA 1 66 ALA C 1 67 ALA N -51.38 -29.38 -37.84 -35.75 -36.22 . . 0 "[ . 1]"
174 . 1 67 ALA N 1 67 ALA CA 1 67 ALA C 1 68 MET N -50.70 -28.70 -44.50 -48.64 -49.76 . . 0 "[ . 1]"
175 . 1 69 ASP N 1 69 ASP CA 1 69 ASP C 1 70 ALA N -50.88 -28.88 -32.87 -29.56 -31.93 0.09 2 0 "[ . 1]"
176 . 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1 71 LEU N -40.68 -18.68 -28.16 -37.33 -20.83 . . 0 "[ . 1]"
177 . 1 71 LEU N 1 71 LEU CA 1 71 LEU C 1 72 GLU N -54.03 -12.03 -39.71 -40.47 -41.26 . . 0 "[ . 1]"
178 . 1 72 GLU N 1 72 GLU CA 1 72 GLU C 1 73 LYS N -39.94 24.06 14.26 14.22 11.22 0.53 5 0 "[ . 1]"
179 . 1 73 LYS N 1 73 LYS CA 1 73 LYS C 1 74 TYR N -41.89 42.11 33.91 34.46 21.46 3.28 2 0 "[ . 1]"
180 . 1 74 TYR N 1 74 TYR CA 1 74 TYR C 1 75 ASN N 93.45 177.45 141.42 145.50 139.38 . . 0 "[ . 1]"
181 . 1 75 ASN N 1 75 ASN CA 1 75 ASN C 1 76 PHE N 78.72 -177.28 -177.95 167.51 -175.46 1.82 4 0 "[ . 1]"
182 . 1 76 PHE N 1 76 PHE CA 1 76 PHE C 1 77 PRO N 82.26 -173.74 144.16 153.98 151.10 . . 0 "[ . 1]"
183 . 1 78 GLN N 1 78 GLN CA 1 78 GLN C 1 79 MET N 100.88 -155.12 119.86 109.90 100.83 0.05 1 0 "[ . 1]"
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