NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
581038 |
4uzm   |
25210 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_4uzm
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 646
_TA_constraint_stats_list.Viol_total 4350.92
_TA_constraint_stats_list.Viol_max 1.91
_TA_constraint_stats_list.Viol_rms 0.18
_TA_constraint_stats_list.Viol_average_all_restraints 0.05
_TA_constraint_stats_list.Viol_average_violations_only 0.34
_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 19 VAL N 1 19 VAL CA 1 19 VAL CB 1 19 VAL CG1 135.00 -135.00 174.32 176.63 175.36 . . 0 "[ . 1 . 2]"
2 . 1 29 VAL N 1 29 VAL CA 1 29 VAL CB 1 29 VAL CG1 135.00 -135.00 -174.26 176.87 -165.60 . . 0 "[ . 1 . 2]"
3 . 1 54 VAL N 1 54 VAL CA 1 54 VAL CB 1 54 VAL CG1 135.00 -135.00 -174.40 -178.47 -168.37 . . 0 "[ . 1 . 2]"
4 . 1 81 VAL N 1 81 VAL CA 1 81 VAL CB 1 81 VAL CG1 135.00 -135.00 -172.64 -174.84 -168.75 . . 0 "[ . 1 . 2]"
5 . 1 83 VAL N 1 83 VAL CA 1 83 VAL CB 1 83 VAL HB 135.00 -135.00 177.90 166.44 -173.31 . . 0 "[ . 1 . 2]"
6 . 1 99 VAL N 1 99 VAL CA 1 99 VAL CB 1 99 VAL HB 135.00 -135.00 134.94 134.63 134.55 0.45 1 0 "[ . 1 . 2]"
7 . 1 110 VAL N 1 110 VAL CA 1 110 VAL CB 1 110 VAL CG1 135.00 -135.00 -167.30 -164.43 -166.08 . . 0 "[ . 1 . 2]"
8 . 1 3 PHE N 1 3 PHE CA 1 3 PHE CB 1 3 PHE CG -105.00 -15.00 -42.95 -44.27 -45.57 . . 0 "[ . 1 . 2]"
9 . 1 11 LEU N 1 11 LEU CA 1 11 LEU CB 1 11 LEU CG 135.00 -135.00 -164.83 -169.50 -159.43 . . 0 "[ . 1 . 2]"
10 . 1 22 TYR N 1 22 TYR CA 1 22 TYR CB 1 22 TYR CG 135.00 -135.00 158.62 165.59 164.59 . . 0 "[ . 1 . 2]"
11 . 1 23 LEU N 1 23 LEU CA 1 23 LEU CB 1 23 LEU CG -105.00 -15.00 -45.30 -70.66 -35.90 . . 0 "[ . 1 . 2]"
12 . 1 26 LEU N 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG -105.00 -15.00 -96.59 -94.37 -97.43 0.30 16 0 "[ . 1 . 2]"
13 . 1 48 ASN N 1 48 ASN CA 1 48 ASN CB 1 48 ASN CG -105.00 -15.00 -86.61 -85.41 -86.95 . . 0 "[ . 1 . 2]"
14 . 1 52 ASN N 1 52 ASN CA 1 52 ASN CB 1 52 ASN CG -105.00 -15.00 -46.65 -44.94 -45.57 . . 0 "[ . 1 . 2]"
15 . 1 53 ASN N 1 53 ASN CA 1 53 ASN CB 1 53 ASN CG -105.00 -15.00 -40.79 -44.46 -36.63 . . 0 "[ . 1 . 2]"
16 . 1 55 MET N 1 55 MET CA 1 55 MET CB 1 55 MET CG -105.00 -15.00 -104.52 -103.42 -104.05 0.54 5 0 "[ . 1 . 2]"
17 . 1 56 MET N 1 56 MET CA 1 56 MET CB 1 56 MET CG -105.00 -15.00 -47.08 -26.76 -59.56 . . 0 "[ . 1 . 2]"
18 . 1 59 HIS N 1 59 HIS CA 1 59 HIS CB 1 59 HIS CG 135.00 -135.00 -136.14 -136.14 -136.27 0.15 14 0 "[ . 1 . 2]"
19 . 1 64 TYR N 1 64 TYR CA 1 64 TYR CB 1 64 TYR CG -105.00 -15.00 -78.62 -77.64 -78.44 . . 0 "[ . 1 . 2]"
20 . 1 74 TRP N 1 74 TRP CA 1 74 TRP CB 1 74 TRP CG -105.00 -15.00 -66.81 -67.27 -67.80 . . 0 "[ . 1 . 2]"
21 . 1 75 ARG N 1 75 ARG CA 1 75 ARG CB 1 75 ARG CG -105.00 -15.00 -97.22 -106.22 -81.77 1.22 7 0 "[ . 1 . 2]"
22 . 1 76 TYR N 1 76 TYR CA 1 76 TYR CB 1 76 TYR CG -105.00 -15.00 -75.34 -74.59 -75.20 . . 0 "[ . 1 . 2]"
23 . 1 77 TYR N 1 77 TYR CA 1 77 TYR CB 1 77 TYR CG -105.00 -15.00 -81.02 -79.67 -79.74 . . 0 "[ . 1 . 2]"
24 . 1 78 LEU N 1 78 LEU CA 1 78 LEU CB 1 78 LEU CG 135.00 -135.00 -154.69 -158.62 -134.76 0.24 18 0 "[ . 1 . 2]"
25 . 1 84 HIS N 1 84 HIS CA 1 84 HIS CB 1 84 HIS CG 135.00 -135.00 -174.20 -174.04 -174.52 . . 0 "[ . 1 . 2]"
26 . 1 85 LEU N 1 85 LEU CA 1 85 LEU CB 1 85 LEU CG 135.00 -135.00 -171.51 -177.10 -151.06 . . 0 "[ . 1 . 2]"
27 . 1 88 PHE N 1 88 PHE CA 1 88 PHE CB 1 88 PHE CG 15.00 105.00 14.75 14.23 15.48 0.77 3 0 "[ . 1 . 2]"
28 . 1 89 TRP N 1 89 TRP CA 1 89 TRP CB 1 89 TRP CG -105.00 -15.00 -60.01 -59.73 -59.93 . . 0 "[ . 1 . 2]"
29 . 1 92 TYR N 1 92 TYR CA 1 92 TYR CB 1 92 TYR CG -105.00 -15.00 -49.61 -52.19 -47.06 . . 0 "[ . 1 . 2]"
30 . 1 97 ASN N 1 97 ASN CA 1 97 ASN CB 1 97 ASN CG -105.00 -15.00 -31.09 -56.04 -22.13 . . 0 "[ . 1 . 2]"
31 . 1 100 GLU N 1 100 GLU CA 1 100 GLU CB 1 100 GLU CG -105.00 -15.00 -54.22 -68.70 -42.37 . . 0 "[ . 1 . 2]"
32 . 1 103 HIS N 1 103 HIS CA 1 103 HIS CB 1 103 HIS CG -105.00 -15.00 -50.51 -53.51 -48.55 . . 0 "[ . 1 . 2]"
33 . 1 109 LEU N 1 109 LEU CA 1 109 LEU CB 1 109 LEU CG 135.00 -135.00 -164.11 -164.28 -165.01 . . 0 "[ . 1 . 2]"
34 . 1 113 LEU N 1 113 LEU CA 1 113 LEU CB 1 113 LEU CG 135.00 -135.00 -140.72 -145.31 -136.64 . . 0 "[ . 1 . 2]"
35 . 1 116 HIS N 1 116 HIS CA 1 116 HIS CB 1 116 HIS CG -105.00 -15.00 -39.17 -40.83 -41.40 . . 0 "[ . 1 . 2]"
36 . 1 118 LEU N 1 118 LEU CA 1 118 LEU CB 1 118 LEU CG -105.00 -15.00 -104.06 -105.55 -93.39 0.55 3 0 "[ . 1 . 2]"
37 . 1 2 ALA C 1 3 PHE N 1 3 PHE CA 1 3 PHE C -150.50 -47.50 -110.94 -136.84 -96.05 . . 0 "[ . 1 . 2]"
38 . 1 3 PHE C 1 4 ALA N 1 4 ALA CA 1 4 ALA C -75.10 -37.90 -75.16 -75.18 -75.19 0.18 16 0 "[ . 1 . 2]"
39 . 1 4 ALA C 1 5 ASP N 1 5 ASP CA 1 5 ASP C -129.00 -47.00 -106.66 -113.16 -118.73 . . 0 "[ . 1 . 2]"
40 . 1 5 ASP C 1 6 ALA N 1 6 ALA CA 1 6 ALA C -127.50 -42.50 -64.70 -75.99 -54.95 . . 0 "[ . 1 . 2]"
41 . 1 6 ALA C 1 7 GLN N 1 7 GLN CA 1 7 GLN C -153.00 -53.00 -64.48 -69.97 -58.05 . . 0 "[ . 1 . 2]"
42 . 1 7 GLN C 1 8 THR N 1 8 THR CA 1 8 THR C -164.40 -103.00 -148.74 -147.44 -149.51 . . 0 "[ . 1 . 2]"
43 . 1 8 THR C 1 9 ARG N 1 9 ARG CA 1 9 ARG C 178.40 -103.20 -162.70 -157.96 -160.41 . . 0 "[ . 1 . 2]"
44 . 1 9 ARG C 1 10 LYS N 1 10 LYS CA 1 10 LYS C -124.10 -82.10 -82.35 -81.85 -81.87 0.59 6 0 "[ . 1 . 2]"
45 . 1 10 LYS C 1 11 LEU N 1 11 LEU CA 1 11 LEU C -131.10 -59.10 -79.08 -82.65 -84.01 . . 0 "[ . 1 . 2]"
46 . 1 11 LEU C 1 12 THR N 1 12 THR CA 1 12 THR C -122.30 -50.50 -78.75 -88.11 -69.03 . . 0 "[ . 1 . 2]"
47 . 1 12 THR C 1 13 PRO N 1 13 PRO CA 1 13 PRO C -75.30 -46.30 -59.47 -60.92 -56.74 . . 0 "[ . 1 . 2]"
48 . 1 13 PRO C 1 14 GLU N 1 14 GLU CA 1 14 GLU C -78.40 -52.40 -67.91 -74.01 -61.71 . . 0 "[ . 1 . 2]"
49 . 1 14 GLU C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -81.10 -50.90 -66.96 -71.96 -60.44 . . 0 "[ . 1 . 2]"
50 . 1 15 GLU C 1 16 ARG N 1 16 ARG CA 1 16 ARG C -80.50 -49.50 -70.89 -75.08 -68.36 . . 0 "[ . 1 . 2]"
51 . 1 16 ARG C 1 17 SER N 1 17 SER CA 1 17 SER C -73.50 -48.50 -69.38 -71.57 -71.97 0.12 14 0 "[ . 1 . 2]"
52 . 1 17 SER C 1 18 ALA N 1 18 ALA CA 1 18 ALA C -75.00 -53.00 -65.55 -72.20 -60.27 . . 0 "[ . 1 . 2]"
53 . 1 18 ALA C 1 19 VAL N 1 19 VAL CA 1 19 VAL C -76.50 -52.30 -56.89 -61.49 -52.17 0.13 11 0 "[ . 1 . 2]"
54 . 1 19 VAL C 1 20 GLU N 1 20 GLU CA 1 20 GLU C -74.70 -47.70 -56.74 -52.47 -52.93 . . 0 "[ . 1 . 2]"
55 . 1 20 GLU C 1 21 ASN N 1 21 ASN CA 1 21 ASN C -75.20 -52.00 -71.27 -71.24 -72.27 0.09 11 0 "[ . 1 . 2]"
56 . 1 21 ASN C 1 22 TYR N 1 22 TYR CA 1 22 TYR C -79.10 -52.50 -73.78 -75.11 -76.58 . . 0 "[ . 1 . 2]"
57 . 1 22 TYR C 1 23 LEU N 1 23 LEU CA 1 23 LEU C -79.60 -52.20 -66.44 -63.91 -64.95 . . 0 "[ . 1 . 2]"
58 . 1 23 LEU C 1 24 GLU N 1 24 GLU CA 1 24 GLU C -79.70 -55.30 -65.09 -63.95 -65.00 . . 0 "[ . 1 . 2]"
59 . 1 24 GLU C 1 25 SER N 1 25 SER CA 1 25 SER C -81.80 -48.20 -66.36 -66.50 -67.63 . . 0 "[ . 1 . 2]"
60 . 1 25 SER C 1 26 LEU N 1 26 LEU CA 1 26 LEU C -89.00 -49.00 -59.61 -68.95 -50.22 . . 0 "[ . 1 . 2]"
61 . 1 26 LEU C 1 27 THR N 1 27 THR CA 1 27 THR C -108.50 -35.50 -66.37 -83.13 -49.57 . . 0 "[ . 1 . 2]"
62 . 1 27 THR C 1 28 GLN N 1 28 GLN CA 1 28 GLN C -118.00 -48.00 -77.95 -104.49 -58.03 . . 0 "[ . 1 . 2]"
63 . 1 42 PRO C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -161.00 -103.00 -124.91 -141.28 -146.80 0.09 4 0 "[ . 1 . 2]"
64 . 1 43 ILE C 1 44 SER N 1 44 SER CA 1 44 SER C -156.00 -56.00 -126.78 -156.03 -106.69 0.03 8 0 "[ . 1 . 2]"
65 . 1 44 SER C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -161.70 -59.10 -95.30 -117.25 -61.19 . . 0 "[ . 1 . 2]"
66 . 1 45 LEU C 1 46 ALA N 1 46 ALA CA 1 46 ALA C -176.50 -79.50 -91.21 -90.39 -91.85 . . 0 "[ . 1 . 2]"
67 . 1 46 ALA C 1 47 LEU N 1 47 LEU CA 1 47 LEU C -100.00 -66.00 -65.92 -71.79 -65.17 0.83 8 0 "[ . 1 . 2]"
68 . 1 47 LEU C 1 48 ASN N 1 48 ASN CA 1 48 ASN C -140.10 -50.70 -131.42 -140.26 -112.73 0.16 17 0 "[ . 1 . 2]"
69 . 1 48 ASN C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -69.50 -46.10 -57.87 -55.67 -56.49 . . 0 "[ . 1 . 2]"
70 . 1 49 ALA C 1 50 GLU N 1 50 GLU CA 1 50 GLU C -80.70 -49.10 -70.90 -69.12 -70.98 0.15 11 0 "[ . 1 . 2]"
71 . 1 50 GLU C 1 51 SER N 1 51 SER CA 1 51 SER C -85.00 -45.00 -54.83 -50.51 -50.69 . . 0 "[ . 1 . 2]"
72 . 1 51 SER C 1 52 ASN N 1 52 ASN CA 1 52 ASN C -108.50 -47.50 -88.97 -90.50 -91.05 . . 0 "[ . 1 . 2]"
73 . 1 52 ASN C 1 53 ASN N 1 53 ASN CA 1 53 ASN C -134.50 -67.50 -102.14 -130.12 -78.14 . . 0 "[ . 1 . 2]"
74 . 1 53 ASN C 1 54 VAL N 1 54 VAL CA 1 54 VAL C -146.00 -82.00 -82.65 -85.78 -81.18 0.82 11 0 "[ . 1 . 2]"
75 . 1 54 VAL C 1 55 MET N 1 55 MET CA 1 55 MET C -145.50 -84.50 -109.47 -116.98 -94.19 . . 0 "[ . 1 . 2]"
76 . 1 55 MET C 1 56 MET N 1 56 MET CA 1 56 MET C -140.50 -65.90 -107.83 -109.78 -112.44 . . 0 "[ . 1 . 2]"
77 . 1 56 MET C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -158.50 -97.50 -157.84 -158.75 -155.36 0.25 3 0 "[ . 1 . 2]"
78 . 1 57 LEU C 1 58 THR N 1 58 THR CA 1 58 THR C -130.80 -86.00 -91.12 -90.97 -91.38 . . 0 "[ . 1 . 2]"
79 . 1 58 THR C 1 59 HIS N 1 59 HIS CA 1 59 HIS C -175.30 -95.90 -158.22 -159.62 -154.49 . . 0 "[ . 1 . 2]"
80 . 1 59 HIS C 1 60 ALA N 1 60 ALA CA 1 60 ALA C -123.00 -52.00 -83.47 -86.90 -76.88 . . 0 "[ . 1 . 2]"
81 . 1 60 ALA C 1 61 ILE N 1 61 ILE CA 1 61 ILE C -137.50 -88.50 -90.94 -102.84 -88.34 0.16 15 0 "[ . 1 . 2]"
82 . 1 61 ILE C 1 62 THR N 1 62 THR CA 1 62 THR C -149.50 -88.50 -93.86 -116.14 -88.36 0.14 19 0 "[ . 1 . 2]"
83 . 1 62 THR C 1 63 ARG N 1 63 ARG CA 1 63 ARG C -155.80 -86.00 -117.86 -115.14 -116.32 . . 0 "[ . 1 . 2]"
84 . 1 63 ARG C 1 64 TYR N 1 64 TYR CA 1 64 TYR C -144.00 -92.00 -113.36 -121.07 -105.03 . . 0 "[ . 1 . 2]"
85 . 1 64 TYR C 1 65 GLY N 1 65 GLY CA 1 65 GLY C 11.00 -51.00 -80.06 -94.94 -72.13 . . 0 "[ . 1 . 2]"
86 . 1 66 ILE C 1 67 SER N 1 67 SER CA 1 67 SER C -130.00 -30.00 -91.69 -130.00 -46.35 0.00 16 0 "[ . 1 . 2]"
87 . 1 67 SER C 1 68 THR N 1 68 THR CA 1 68 THR C -170.50 -67.50 -165.01 -166.78 -161.89 . . 0 "[ . 1 . 2]"
88 . 1 69 ASP C 1 70 ASP N 1 70 ASP CA 1 70 ASP C -136.00 -60.00 -129.26 -136.01 -114.19 0.01 3 0 "[ . 1 . 2]"
89 . 1 72 ASN C 1 73 LYS N 1 73 LYS CA 1 73 LYS C -124.50 -39.50 -42.66 -43.34 -43.43 0.23 12 0 "[ . 1 . 2]"
90 . 1 73 LYS C 1 74 TRP N 1 74 TRP CA 1 74 TRP C -154.50 -69.50 -142.08 -144.94 -139.25 . . 0 "[ . 1 . 2]"
91 . 1 74 TRP C 1 75 ARG N 1 75 ARG CA 1 75 ARG C -156.00 -99.60 -98.44 -99.50 -97.95 1.65 6 0 "[ . 1 . 2]"
92 . 1 75 ARG C 1 76 TYR N 1 76 TYR CA 1 76 TYR C -148.10 -89.10 -112.11 -110.50 -111.75 . . 0 "[ . 1 . 2]"
93 . 1 76 TYR C 1 77 TYR N 1 77 TYR CA 1 77 TYR C -140.80 -105.00 -140.36 -141.15 -138.92 0.35 19 0 "[ . 1 . 2]"
94 . 1 77 TYR C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -149.00 -67.00 -101.47 -122.11 -95.94 . . 0 "[ . 1 . 2]"
95 . 1 79 ASP C 1 80 SER N 1 80 SER CA 1 80 SER C -97.00 -69.00 -97.51 -97.65 -97.35 0.65 17 0 "[ . 1 . 2]"
96 . 1 80 SER C 1 81 VAL N 1 81 VAL CA 1 81 VAL C -155.50 -82.50 -122.81 -125.83 -117.87 . . 0 "[ . 1 . 2]"
97 . 1 81 VAL C 1 82 GLU N 1 82 GLU CA 1 82 GLU C -101.50 -64.50 -89.57 -93.68 -76.75 . . 0 "[ . 1 . 2]"
98 . 1 82 GLU C 1 83 VAL N 1 83 VAL CA 1 83 VAL C -165.00 -83.00 -137.91 -136.40 -137.11 . . 0 "[ . 1 . 2]"
99 . 1 83 VAL C 1 84 HIS N 1 84 HIS CA 1 84 HIS C -137.00 -55.00 -106.70 -106.03 -106.10 . . 0 "[ . 1 . 2]"
100 . 1 84 HIS C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -157.00 -75.00 -113.09 -107.10 -107.82 . . 0 "[ . 1 . 2]"
101 . 1 85 LEU C 1 86 PRO N 1 86 PRO CA 1 86 PRO C -69.40 -44.00 -51.53 -57.15 -46.02 . . 0 "[ . 1 . 2]"
102 . 1 86 PRO C 1 87 PRO N 1 87 PRO CA 1 87 PRO C -72.00 -38.00 -53.03 -52.15 -52.26 . . 0 "[ . 1 . 2]"
103 . 1 87 PRO C 1 88 PHE N 1 88 PHE CA 1 88 PHE C -119.00 -73.00 -87.46 -88.38 -88.73 . . 0 "[ . 1 . 2]"
104 . 1 89 TRP C 1 90 GLU N 1 90 GLU CA 1 90 GLU C -72.80 -46.20 -50.95 -54.05 -49.06 . . 0 "[ . 1 . 2]"
105 . 1 90 GLU C 1 91 GLN N 1 91 GLN CA 1 91 GLN C -103.80 -45.00 -91.97 -90.66 -91.61 . . 0 "[ . 1 . 2]"
106 . 1 91 GLN C 1 92 TYR N 1 92 TYR CA 1 92 TYR C -134.00 -70.00 -81.19 -80.73 -81.51 . . 0 "[ . 1 . 2]"
107 . 1 92 TYR C 1 93 ILE N 1 93 ILE CA 1 93 ILE C -95.50 -46.50 -86.35 -92.08 -93.49 . . 0 "[ . 1 . 2]"
108 . 1 93 ILE C 1 94 ASN N 1 94 ASN CA 1 94 ASN C -137.00 -79.00 -105.28 -118.25 -102.00 . . 0 "[ . 1 . 2]"
109 . 1 94 ASN C 1 95 ASP N 1 95 ASP CA 1 95 ASP C -85.00 -45.00 -47.67 -44.96 -45.80 0.11 19 0 "[ . 1 . 2]"
110 . 1 95 ASP C 1 96 GLU N 1 96 GLU CA 1 96 GLU C -175.50 -72.50 -125.43 -134.67 -120.47 . . 0 "[ . 1 . 2]"
111 . 1 96 GLU C 1 97 ASN N 1 97 ASN CA 1 97 ASN C -174.50 -95.50 -132.47 -122.44 -130.67 . . 0 "[ . 1 . 2]"
112 . 1 97 ASN C 1 98 THR N 1 98 THR CA 1 98 THR C -127.50 -75.30 -83.19 -102.22 -78.21 . . 0 "[ . 1 . 2]"
113 . 1 98 THR C 1 99 VAL N 1 99 VAL CA 1 99 VAL C -142.00 -96.00 -116.01 -119.32 -111.81 . . 0 "[ . 1 . 2]"
114 . 1 99 VAL C 1 100 GLU N 1 100 GLU CA 1 100 GLU C -145.00 -93.00 -116.46 -123.63 -106.18 . . 0 "[ . 1 . 2]"
115 . 1 100 GLU C 1 101 LEU N 1 101 LEU CA 1 101 LEU C -148.00 -114.00 -137.53 -142.14 -132.14 . . 0 "[ . 1 . 2]"
116 . 1 101 LEU C 1 102 ILE N 1 102 ILE CA 1 102 ILE C -161.00 -109.00 -109.41 -109.26 -110.27 0.50 9 0 "[ . 1 . 2]"
117 . 1 102 ILE C 1 103 HIS N 1 103 HIS CA 1 103 HIS C -129.50 -50.50 -89.86 -110.46 -75.37 . . 0 "[ . 1 . 2]"
118 . 1 103 HIS C 1 104 THR N 1 104 THR CA 1 104 THR C -173.00 -79.00 -87.06 -86.79 -87.78 . . 0 "[ . 1 . 2]"
119 . 1 106 SER C 1 107 LEU N 1 107 LEU CA 1 107 LEU C -150.00 -50.00 -133.62 -138.63 -123.70 . . 0 "[ . 1 . 2]"
120 . 1 107 LEU C 1 108 PRO N 1 108 PRO CA 1 108 PRO C -122.80 -40.20 -77.40 -81.83 -74.76 . . 0 "[ . 1 . 2]"
121 . 1 108 PRO C 1 109 LEU N 1 109 LEU CA 1 109 LEU C -139.50 -83.30 -89.45 -96.33 -83.41 . . 0 "[ . 1 . 2]"
122 . 1 109 LEU C 1 110 VAL N 1 110 VAL CA 1 110 VAL C -143.90 -59.50 -76.23 -79.29 -74.00 . . 0 "[ . 1 . 2]"
123 . 1 111 ILE C 1 112 SER N 1 112 SER CA 1 112 SER C -174.80 -54.00 -144.74 -144.97 -145.20 . . 0 "[ . 1 . 2]"
124 . 1 112 SER C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -159.00 -89.00 -144.48 -146.30 -147.13 . . 0 "[ . 1 . 2]"
125 . 1 113 LEU C 1 114 ASN N 1 114 ASN CA 1 114 ASN C -115.50 -42.50 -45.58 -42.49 -44.17 0.07 18 0 "[ . 1 . 2]"
126 . 1 114 ASN C 1 115 GLY N 1 115 GLY CA 1 115 GLY C 32.50 111.50 79.88 77.90 85.58 . . 0 "[ . 1 . 2]"
127 . 1 116 HIS C 1 117 THR N 1 117 THR CA 1 117 THR C -145.00 -81.00 -144.92 -145.49 -141.66 0.49 11 0 "[ . 1 . 2]"
128 . 1 117 THR C 1 118 LEU N 1 118 LEU CA 1 118 LEU C -102.50 -41.50 -63.25 -59.01 -61.72 . . 0 "[ . 1 . 2]"
129 . 1 118 LEU C 1 119 GLN N 1 119 GLN CA 1 119 GLN C -164.50 -49.50 -119.98 -124.56 -125.39 . . 0 "[ . 1 . 2]"
130 . 1 2 ALA N 1 2 ALA CA 1 2 ALA C 1 3 PHE N -67.50 35.50 -34.48 -31.11 -32.51 . . 0 "[ . 1 . 2]"
131 . 1 3 PHE N 1 3 PHE CA 1 3 PHE C 1 4 ALA N -46.50 44.50 26.24 15.10 32.58 . . 0 "[ . 1 . 2]"
132 . 1 4 ALA N 1 4 ALA CA 1 4 ALA C 1 5 ASP N -53.30 -16.30 -43.36 -53.46 -34.45 0.16 11 0 "[ . 1 . 2]"
133 . 1 5 ASP N 1 5 ASP CA 1 5 ASP C 1 6 ALA N -33.50 15.50 6.79 5.35 8.51 . . 0 "[ . 1 . 2]"
134 . 1 6 ALA N 1 6 ALA CA 1 6 ALA C 1 7 GLN N 70.00 170.00 132.89 133.40 132.43 . . 0 "[ . 1 . 2]"
135 . 1 7 GLN N 1 7 GLN CA 1 7 GLN C 1 8 THR N 140.00 174.00 171.63 162.60 174.13 0.13 7 0 "[ . 1 . 2]"
136 . 1 8 THR N 1 8 THR CA 1 8 THR C 1 9 ARG N 135.80 -176.80 152.45 141.78 163.40 . . 0 "[ . 1 . 2]"
137 . 1 9 ARG N 1 9 ARG CA 1 9 ARG C 1 10 LYS N 130.40 179.20 160.40 160.71 159.36 . . 0 "[ . 1 . 2]"
138 . 1 10 LYS N 1 10 LYS CA 1 10 LYS C 1 11 LEU N 111.70 144.90 137.94 135.82 141.01 . . 0 "[ . 1 . 2]"
139 . 1 11 LEU N 1 11 LEU CA 1 11 LEU C 1 12 THR N 102.90 164.90 135.55 125.67 146.50 . . 0 "[ . 1 . 2]"
140 . 1 12 THR N 1 12 THR CA 1 12 THR C 1 13 PRO N 85.60 -158.20 154.56 154.04 155.22 . . 0 "[ . 1 . 2]"
141 . 1 13 PRO N 1 13 PRO CA 1 13 PRO C 1 14 GLU N -53.90 -13.90 -35.55 -30.93 -32.86 . . 0 "[ . 1 . 2]"
142 . 1 14 GLU N 1 14 GLU CA 1 14 GLU C 1 15 GLU N -52.40 -28.80 -45.32 -46.75 -47.71 . . 0 "[ . 1 . 2]"
143 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 ARG N -57.30 -27.10 -36.48 -32.27 -34.13 . . 0 "[ . 1 . 2]"
144 . 1 16 ARG N 1 16 ARG CA 1 16 ARG C 1 17 SER N -58.00 -24.00 -34.49 -42.30 -28.49 . . 0 "[ . 1 . 2]"
145 . 1 17 SER N 1 17 SER CA 1 17 SER C 1 18 ALA N -58.50 -33.50 -43.33 -44.70 -47.17 0.09 3 0 "[ . 1 . 2]"
146 . 1 18 ALA N 1 18 ALA CA 1 18 ALA C 1 19 VAL N -53.00 -25.00 -46.80 -53.33 -42.69 0.33 19 0 "[ . 1 . 2]"
147 . 1 19 VAL N 1 19 VAL CA 1 19 VAL C 1 20 GLU N -58.60 -32.40 -53.04 -58.38 -58.57 0.23 1 0 "[ . 1 . 2]"
148 . 1 20 GLU N 1 20 GLU CA 1 20 GLU C 1 21 ASN N -50.50 -26.30 -35.53 -44.50 -29.51 . . 0 "[ . 1 . 2]"
149 . 1 21 ASN N 1 21 ASN CA 1 21 ASN C 1 22 TYR N -52.70 -25.30 -33.67 -32.65 -32.88 . . 0 "[ . 1 . 2]"
150 . 1 22 TYR N 1 22 TYR CA 1 22 TYR C 1 23 LEU N -57.10 -30.30 -47.50 -49.69 -42.65 . . 0 "[ . 1 . 2]"
151 . 1 23 LEU N 1 23 LEU CA 1 23 LEU C 1 24 GLU N -48.80 -24.00 -38.47 -38.53 -39.89 . . 0 "[ . 1 . 2]"
152 . 1 24 GLU N 1 24 GLU CA 1 24 GLU C 1 25 SER N -49.00 -26.20 -49.22 -49.31 -49.11 0.31 10 0 "[ . 1 . 2]"
153 . 1 25 SER N 1 25 SER CA 1 25 SER C 1 26 LEU N -54.00 -25.80 -28.12 -35.01 -25.65 0.15 4 0 "[ . 1 . 2]"
154 . 1 26 LEU N 1 26 LEU CA 1 26 LEU C 1 27 THR N -59.00 -19.00 -46.73 -41.54 -46.96 0.11 7 0 "[ . 1 . 2]"
155 . 1 27 THR N 1 27 THR CA 1 27 THR C 1 28 GLN N -61.00 -9.00 -32.43 -29.18 -30.04 . . 0 "[ . 1 . 2]"
156 . 1 28 GLN N 1 28 GLN CA 1 28 GLN C 1 29 VAL N -59.50 19.50 -35.02 -33.05 -34.19 . . 0 "[ . 1 . 2]"
157 . 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 SER N 86.50 177.50 98.82 86.27 135.83 0.23 15 0 "[ . 1 . 2]"
158 . 1 44 SER N 1 44 SER CA 1 44 SER C 1 45 LEU N 105.50 160.50 133.84 132.53 130.16 . . 0 "[ . 1 . 2]"
159 . 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 ALA N 116.40 178.40 139.00 130.52 160.25 . . 0 "[ . 1 . 2]"
160 . 1 46 ALA N 1 46 ALA CA 1 46 ALA C 1 47 LEU N 128.50 177.50 131.92 128.11 140.03 0.39 19 0 "[ . 1 . 2]"
161 . 1 47 LEU N 1 47 LEU CA 1 47 LEU C 1 48 ASN N 84.00 -170.00 138.65 136.00 129.97 . . 0 "[ . 1 . 2]"
162 . 1 48 ASN N 1 48 ASN CA 1 48 ASN C 1 49 ALA N 127.20 -178.80 -178.46 -178.67 -178.10 0.70 11 0 "[ . 1 . 2]"
163 . 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 GLU N -53.60 -18.60 -29.98 -34.43 -23.67 . . 0 "[ . 1 . 2]"
164 . 1 50 GLU N 1 50 GLU CA 1 50 GLU C 1 51 SER N -60.80 -20.40 -20.89 -20.31 -20.34 0.15 3 0 "[ . 1 . 2]"
165 . 1 51 SER N 1 51 SER CA 1 51 SER C 1 52 ASN N -53.50 -16.50 -17.01 -23.19 -15.83 0.67 16 0 "[ . 1 . 2]"
166 . 1 52 ASN N 1 52 ASN CA 1 52 ASN C 1 53 ASN N -50.50 16.50 -20.05 -37.49 -39.47 . . 0 "[ . 1 . 2]"
167 . 1 53 ASN N 1 53 ASN CA 1 53 ASN C 1 54 VAL N 107.00 153.00 106.36 106.38 106.34 1.02 15 0 "[ . 1 . 2]"
168 . 1 54 VAL N 1 54 VAL CA 1 54 VAL C 1 55 MET N 116.00 144.00 137.02 141.54 139.21 0.16 4 0 "[ . 1 . 2]"
169 . 1 55 MET N 1 55 MET CA 1 55 MET C 1 56 MET N 109.00 161.00 127.63 126.07 133.28 . . 0 "[ . 1 . 2]"
170 . 1 56 MET N 1 56 MET CA 1 56 MET C 1 57 LEU N 106.90 157.50 130.66 130.69 130.07 . . 0 "[ . 1 . 2]"
171 . 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 THR N 120.80 155.00 145.15 142.91 149.03 . . 0 "[ . 1 . 2]"
172 . 1 58 THR N 1 58 THR CA 1 58 THR C 1 59 HIS N 113.60 140.60 112.93 112.97 112.96 0.80 5 0 "[ . 1 . 2]"
173 . 1 59 HIS N 1 59 HIS CA 1 59 HIS C 1 60 ALA N 116.90 176.90 153.97 155.17 154.73 . . 0 "[ . 1 . 2]"
174 . 1 60 ALA N 1 60 ALA CA 1 60 ALA C 1 61 ILE N 111.10 147.10 126.95 129.16 127.77 . . 0 "[ . 1 . 2]"
175 . 1 61 ILE N 1 61 ILE CA 1 61 ILE C 1 62 THR N 116.00 156.00 129.22 119.82 152.94 . . 0 "[ . 1 . 2]"
176 . 1 62 THR N 1 62 THR CA 1 62 THR C 1 63 ARG N 115.50 152.50 151.95 142.59 152.80 0.30 6 0 "[ . 1 . 2]"
177 . 1 63 ARG N 1 63 ARG CA 1 63 ARG C 1 64 TYR N 106.40 162.40 112.81 111.26 108.89 . . 0 "[ . 1 . 2]"
178 . 1 64 TYR N 1 64 TYR CA 1 64 TYR C 1 65 GLY N 98.50 147.50 98.06 97.76 98.45 0.74 2 0 "[ . 1 . 2]"
179 . 1 65 GLY N 1 65 GLY CA 1 65 GLY C 1 66 ILE N 116.00 -120.00 131.80 117.71 151.61 . . 0 "[ . 1 . 2]"
180 . 1 67 SER N 1 67 SER CA 1 67 SER C 1 68 THR N -64.00 6.00 -29.43 -29.89 -30.46 . . 0 "[ . 1 . 2]"
181 . 1 68 THR N 1 68 THR CA 1 68 THR C 1 69 ASP N 86.00 -156.00 166.12 163.32 172.45 . . 0 "[ . 1 . 2]"
182 . 1 70 ASP N 1 70 ASP CA 1 70 ASP C 1 71 PRO N 104.50 165.50 136.04 130.85 139.67 . . 0 "[ . 1 . 2]"
183 . 1 73 LYS N 1 73 LYS CA 1 73 LYS C 1 74 TRP N 75.50 166.50 112.12 110.29 114.82 . . 0 "[ . 1 . 2]"
184 . 1 74 TRP N 1 74 TRP CA 1 74 TRP C 1 75 ARG N 106.00 176.00 177.34 176.53 177.91 1.91 6 0 "[ . 1 . 2]"
185 . 1 75 ARG N 1 75 ARG CA 1 75 ARG C 1 76 TYR N 119.10 174.70 142.50 135.56 153.62 . . 0 "[ . 1 . 2]"
186 . 1 76 TYR N 1 76 TYR CA 1 76 TYR C 1 77 TYR N 115.30 164.30 164.43 164.79 164.70 0.52 6 0 "[ . 1 . 2]"
187 . 1 77 TYR N 1 77 TYR CA 1 77 TYR C 1 78 LEU N 124.60 173.00 126.80 125.63 124.67 0.15 4 0 "[ . 1 . 2]"
188 . 1 78 LEU N 1 78 LEU CA 1 78 LEU C 1 79 ASP N 95.50 168.50 103.73 103.34 102.94 . . 0 "[ . 1 . 2]"
189 . 1 80 SER N 1 80 SER CA 1 80 SER C 1 81 VAL N -36.50 18.50 17.30 17.82 17.34 0.27 8 0 "[ . 1 . 2]"
190 . 1 81 VAL N 1 81 VAL CA 1 81 VAL C 1 82 GLU N 103.00 155.00 153.58 140.83 155.19 0.19 4 0 "[ . 1 . 2]"
191 . 1 82 GLU N 1 82 GLU CA 1 82 GLU C 1 83 VAL N 57.50 166.50 134.92 129.87 140.83 . . 0 "[ . 1 . 2]"
192 . 1 83 VAL N 1 83 VAL CA 1 83 VAL C 1 84 HIS N 126.50 -178.50 166.42 166.15 165.31 . . 0 "[ . 1 . 2]"
193 . 1 84 HIS N 1 84 HIS CA 1 84 HIS C 1 85 LEU N 99.00 151.00 107.59 98.95 123.47 0.05 19 0 "[ . 1 . 2]"
194 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 PRO N 90.50 175.50 115.71 114.90 113.90 . . 0 "[ . 1 . 2]"
195 . 1 86 PRO N 1 86 PRO CA 1 86 PRO C 1 87 PRO N 124.70 154.70 138.38 135.52 139.91 . . 0 "[ . 1 . 2]"
196 . 1 87 PRO N 1 87 PRO CA 1 87 PRO C 1 88 PHE N -64.00 -12.00 -11.70 -11.88 -11.53 0.47 16 0 "[ . 1 . 2]"
197 . 1 88 PHE N 1 88 PHE CA 1 88 PHE C 1 89 TRP N -8.50 16.50 -7.04 -8.64 -1.09 0.14 14 0 "[ . 1 . 2]"
198 . 1 90 GLU N 1 90 GLU CA 1 90 GLU C 1 91 GLN N -49.30 -1.70 -31.12 -37.85 -26.23 . . 0 "[ . 1 . 2]"
199 . 1 91 GLN N 1 91 GLN CA 1 91 GLN C 1 92 TYR N -39.20 17.40 -25.78 -28.23 -19.42 . . 0 "[ . 1 . 2]"
200 . 1 92 TYR N 1 92 TYR CA 1 92 TYR C 1 93 ILE N -39.50 57.50 -11.19 -18.49 -6.53 . . 0 "[ . 1 . 2]"
201 . 1 93 ILE N 1 93 ILE CA 1 93 ILE C 1 94 ASN N 111.50 148.50 113.63 111.45 111.43 0.26 20 0 "[ . 1 . 2]"
202 . 1 94 ASN N 1 94 ASN CA 1 94 ASN C 1 95 ASP N 100.50 -168.50 -170.66 -176.69 -168.07 0.43 7 0 "[ . 1 . 2]"
203 . 1 95 ASP N 1 95 ASP CA 1 95 ASP C 1 96 GLU N -56.00 -10.00 -55.62 -54.35 -56.00 0.30 16 0 "[ . 1 . 2]"
204 . 1 96 GLU N 1 96 GLU CA 1 96 GLU C 1 97 ASN N 126.50 175.50 126.01 125.50 126.27 1.00 19 0 "[ . 1 . 2]"
205 . 1 97 ASN N 1 97 ASN CA 1 97 ASN C 1 98 THR N 117.00 169.00 152.23 158.55 154.09 . . 0 "[ . 1 . 2]"
206 . 1 98 THR N 1 98 THR CA 1 98 THR C 1 99 VAL N 103.70 144.70 107.51 106.74 106.34 . . 0 "[ . 1 . 2]"
207 . 1 99 VAL N 1 99 VAL CA 1 99 VAL C 1 100 GLU N 109.00 161.00 131.11 130.16 127.60 . . 0 "[ . 1 . 2]"
208 . 1 100 GLU N 1 100 GLU CA 1 100 GLU C 1 101 LEU N 106.50 161.50 115.03 112.97 116.87 . . 0 "[ . 1 . 2]"
209 . 1 101 LEU N 1 101 LEU CA 1 101 LEU C 1 102 ILE N 123.00 175.00 153.29 155.83 154.53 . . 0 "[ . 1 . 2]"
210 . 1 102 ILE N 1 102 ILE CA 1 102 ILE C 1 103 HIS N 133.50 170.50 146.62 157.64 139.05 0.20 15 0 "[ . 1 . 2]"
211 . 1 103 HIS N 1 103 HIS CA 1 103 HIS C 1 104 THR N 106.50 173.50 117.28 116.66 116.19 . . 0 "[ . 1 . 2]"
212 . 1 104 THR N 1 104 THR CA 1 104 THR C 1 105 ASP N 117.00 -161.00 -162.09 -166.59 -160.88 0.12 20 0 "[ . 1 . 2]"
213 . 1 107 LEU N 1 107 LEU CA 1 107 LEU C 1 108 PRO N 111.00 175.00 167.46 164.62 169.90 . . 0 "[ . 1 . 2]"
214 . 1 108 PRO N 1 108 PRO CA 1 108 PRO C 1 109 LEU N 108.50 161.10 129.81 128.14 126.56 . . 0 "[ . 1 . 2]"
215 . 1 109 LEU N 1 109 LEU CA 1 109 LEU C 1 110 VAL N 108.00 151.40 119.53 119.76 119.59 . . 0 "[ . 1 . 2]"
216 . 1 110 VAL N 1 110 VAL CA 1 110 VAL C 1 111 ILE N 94.00 -173.80 99.66 95.57 101.99 . . 0 "[ . 1 . 2]"
217 . 1 112 SER N 1 112 SER CA 1 112 SER C 1 113 LEU N 134.50 178.50 160.42 156.57 163.37 . . 0 "[ . 1 . 2]"
218 . 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 ASN N 111.00 163.00 159.22 155.60 163.04 0.04 8 0 "[ . 1 . 2]"
219 . 1 114 ASN N 1 114 ASN CA 1 114 ASN C 1 115 GLY N 101.00 171.00 100.13 99.51 100.74 1.49 2 0 "[ . 1 . 2]"
220 . 1 115 GLY N 1 115 GLY CA 1 115 GLY C 1 116 HIS N -24.00 64.00 22.14 26.08 25.22 . . 0 "[ . 1 . 2]"
221 . 1 117 THR N 1 117 THR CA 1 117 THR C 1 118 LEU N 143.00 177.00 153.99 149.57 167.08 . . 0 "[ . 1 . 2]"
222 . 1 118 LEU N 1 118 LEU CA 1 118 LEU C 1 119 GLN N -41.00 5.00 -37.99 -41.28 -28.11 0.28 3 0 "[ . 1 . 2]"
223 . 1 119 GLN N 1 119 GLN CA 1 119 GLN C 1 120 GLU N 75.50 172.50 75.54 75.18 75.11 0.47 1 0 "[ . 1 . 2]"
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