NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
561371 |
3zg4   |
18900 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_3zg4
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 220
_TA_constraint_stats_list.Viol_count 980
_TA_constraint_stats_list.Viol_total 69687.18
_TA_constraint_stats_list.Viol_max 16.56
_TA_constraint_stats_list.Viol_rms 2.18
_TA_constraint_stats_list.Viol_average_all_restraints 0.79
_TA_constraint_stats_list.Viol_average_violations_only 3.56
_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 GLU C 1 5 ASP N 1 5 ASP CA 1 5 ASP C -118.60 -58.60 -56.45 -61.03 -54.24 4.36 5 0 "[ . 1 . 2]"
2 . 1 5 ASP N 1 5 ASP CA 1 5 ASP C 1 6 THR N 94.30 154.30 167.71 169.08 168.04 15.49 13 20 [**********-*+*******]
3 . 1 5 ASP C 1 6 THR N 1 6 THR CA 1 6 THR C -153.20 -93.20 -92.85 -93.33 -94.12 3.06 12 0 "[ . 1 . 2]"
4 . 1 6 THR N 1 6 THR CA 1 6 THR C 1 7 TYR N 127.50 -172.50 122.89 123.60 123.28 5.98 8 6 "[ * . + * *-. *]"
5 . 1 6 THR C 1 7 TYR N 1 7 TYR CA 1 7 TYR C -178.30 -118.30 -159.92 -162.44 -163.33 . . 0 "[ . 1 . 2]"
6 . 1 7 TYR N 1 7 TYR CA 1 7 TYR C 1 8 ILE N 128.40 -171.60 -170.76 -170.32 -170.61 2.29 12 0 "[ . 1 . 2]"
7 . 1 7 TYR C 1 8 ILE N 1 8 ILE CA 1 8 ILE C -149.00 -89.00 -103.34 -102.53 -103.05 . . 0 "[ . 1 . 2]"
8 . 1 8 ILE N 1 8 ILE CA 1 8 ILE C 1 9 GLU N 101.00 161.00 160.06 157.20 156.83 1.14 17 0 "[ . 1 . 2]"
9 . 1 8 ILE C 1 9 GLU N 1 9 GLU CA 1 9 GLU C -148.70 -88.70 -140.50 -143.67 -137.18 . . 0 "[ . 1 . 2]"
10 . 1 9 GLU N 1 9 GLU CA 1 9 GLU C 1 10 VAL N 102.40 162.40 155.33 154.08 156.54 . . 0 "[ . 1 . 2]"
11 . 1 9 GLU C 1 10 VAL N 1 10 VAL CA 1 10 VAL C -150.70 -90.70 -150.63 -151.30 -149.27 0.60 17 0 "[ . 1 . 2]"
12 . 1 10 VAL N 1 10 VAL CA 1 10 VAL C 1 11 ASP N 99.80 159.80 136.72 133.40 142.35 . . 0 "[ . 1 . 2]"
13 . 1 10 VAL C 1 11 ASP N 1 11 ASP CA 1 11 ASP C -137.50 -77.50 -118.96 -118.03 -120.42 . . 0 "[ . 1 . 2]"
14 . 1 11 ASP N 1 11 ASP CA 1 11 ASP C 1 12 LEU N 108.90 168.90 114.39 116.31 115.35 2.54 7 0 "[ . 1 . 2]"
15 . 1 11 ASP C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -90.50 -30.50 -68.20 -75.22 -58.52 . . 0 "[ . 1 . 2]"
16 . 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 GLU N -65.70 -5.70 -46.79 -58.67 -30.08 . . 0 "[ . 1 . 2]"
17 . 1 12 LEU C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -94.40 -34.40 -55.26 -65.40 -46.27 . . 0 "[ . 1 . 2]"
18 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 ASN N -62.00 -2.00 -53.33 -63.61 -45.42 1.61 15 0 "[ . 1 . 2]"
19 . 1 13 GLU C 1 14 ASN N 1 14 ASN CA 1 14 ASN C -126.30 -66.30 -99.78 -98.27 -100.73 . . 0 "[ . 1 . 2]"
20 . 1 14 ASN N 1 14 ASN CA 1 14 ASN C 1 15 GLN N -27.40 32.60 10.33 10.08 9.74 . . 0 "[ . 1 . 2]"
21 . 1 14 ASN C 1 15 GLN N 1 15 GLN CA 1 15 GLN C 31.00 91.00 39.88 36.93 36.24 . . 0 "[ . 1 . 2]"
22 . 1 15 GLN N 1 15 GLN CA 1 15 GLN C 1 16 HIS N 13.00 73.00 69.70 63.75 74.14 1.14 14 0 "[ . 1 . 2]"
23 . 1 15 GLN C 1 16 HIS N 1 16 HIS CA 1 16 HIS C -158.40 -98.40 -149.66 -155.91 -143.41 . . 0 "[ . 1 . 2]"
24 . 1 16 HIS N 1 16 HIS CA 1 16 HIS C 1 17 MET N 110.20 170.20 125.63 124.11 128.63 . . 0 "[ . 1 . 2]"
25 . 1 16 HIS C 1 17 MET N 1 17 MET CA 1 17 MET C -161.50 -101.50 -112.21 -111.93 -112.35 . . 0 "[ . 1 . 2]"
26 . 1 17 MET N 1 17 MET CA 1 17 MET C 1 18 TRP N 106.40 166.40 127.99 128.60 128.44 . . 0 "[ . 1 . 2]"
27 . 1 17 MET C 1 18 TRP N 1 18 TRP CA 1 18 TRP C -161.60 -101.60 -112.67 -113.14 -113.32 . . 0 "[ . 1 . 2]"
28 . 1 18 TRP N 1 18 TRP CA 1 18 TRP C 1 19 TYR N 111.40 171.40 173.29 171.71 173.95 2.55 4 0 "[ . 1 . 2]"
29 . 1 18 TRP C 1 19 TYR N 1 19 TYR CA 1 19 TYR C -151.40 -91.40 -125.94 -127.41 -122.30 . . 0 "[ . 1 . 2]"
30 . 1 19 TYR N 1 19 TYR CA 1 19 TYR C 1 20 TYR N 88.80 148.80 115.87 111.79 119.79 . . 0 "[ . 1 . 2]"
31 . 1 19 TYR C 1 20 TYR N 1 20 TYR CA 1 20 TYR C -152.30 -92.30 -99.22 -97.47 -98.53 . . 0 "[ . 1 . 2]"
32 . 1 20 TYR N 1 20 TYR CA 1 20 TYR C 1 21 LYS N 115.80 175.80 127.41 124.84 131.35 . . 0 "[ . 1 . 2]"
33 . 1 20 TYR C 1 21 LYS N 1 21 LYS CA 1 21 LYS C -147.50 -87.50 -146.64 -142.86 -147.60 2.14 16 0 "[ . 1 . 2]"
34 . 1 21 LYS N 1 21 LYS CA 1 21 LYS C 1 22 ASP N 95.00 155.00 138.37 137.37 137.19 . . 0 "[ . 1 . 2]"
35 . 1 21 LYS C 1 22 ASP N 1 22 ASP CA 1 22 ASP C 23.00 83.00 70.30 64.32 72.74 . . 0 "[ . 1 . 2]"
36 . 1 22 ASP N 1 22 ASP CA 1 22 ASP C 1 23 GLY N 11.00 71.00 14.77 11.37 18.31 . . 0 "[ . 1 . 2]"
37 . 1 22 ASP C 1 23 GLY N 1 23 GLY CA 1 23 GLY C 47.60 107.60 81.16 88.61 86.55 . . 0 "[ . 1 . 2]"
38 . 1 23 GLY N 1 23 GLY CA 1 23 GLY C 1 24 LYS N -26.00 34.00 16.13 8.01 22.01 . . 0 "[ . 1 . 2]"
39 . 1 23 GLY C 1 24 LYS N 1 24 LYS CA 1 24 LYS C -139.80 -79.80 -135.35 -131.43 -133.86 0.37 8 0 "[ . 1 . 2]"
40 . 1 24 LYS N 1 24 LYS CA 1 24 LYS C 1 25 VAL N 118.00 178.00 171.94 170.86 169.90 1.21 12 0 "[ . 1 . 2]"
41 . 1 24 LYS C 1 25 VAL N 1 25 VAL CA 1 25 VAL C -104.40 -44.40 -102.82 -107.00 -94.66 2.60 6 0 "[ . 1 . 2]"
42 . 1 25 VAL N 1 25 VAL CA 1 25 VAL C 1 26 ALA N 95.90 155.90 137.59 132.42 139.27 . . 0 "[ . 1 . 2]"
43 . 1 25 VAL C 1 26 ALA N 1 26 ALA CA 1 26 ALA C -125.00 -65.00 -92.44 -90.62 -92.37 . . 0 "[ . 1 . 2]"
44 . 1 26 ALA N 1 26 ALA CA 1 26 ALA C 1 27 LEU N -65.00 -5.00 -25.04 -28.14 -23.73 . . 0 "[ . 1 . 2]"
45 . 1 26 ALA C 1 27 LEU N 1 27 LEU CA 1 27 LEU C 178.00 -122.00 -153.23 -155.30 -152.25 . . 0 "[ . 1 . 2]"
46 . 1 27 LEU N 1 27 LEU CA 1 27 LEU C 1 28 GLU N 123.00 -177.00 154.57 148.61 156.00 . . 0 "[ . 1 . 2]"
47 . 1 27 LEU C 1 28 GLU N 1 28 GLU CA 1 28 GLU C -180.00 -120.00 -165.11 -165.56 -165.79 . . 0 "[ . 1 . 2]"
48 . 1 28 GLU N 1 28 GLU CA 1 28 GLU C 1 29 THR N 126.00 -174.00 122.14 120.49 123.02 5.51 14 1 "[ . 1 +. 2]"
49 . 1 28 GLU C 1 29 THR N 1 29 THR CA 1 29 THR C -141.00 -81.00 -148.25 -149.35 -146.88 8.35 6 20 [*****+-*************]
50 . 1 29 THR N 1 29 THR CA 1 29 THR C 1 30 ASP N 104.00 164.00 166.92 167.28 167.16 3.58 20 0 "[ . 1 . 2]"
51 . 1 30 ASP C 1 31 ILE N 1 31 ILE CA 1 31 ILE C -173.00 -113.00 -142.67 -143.15 -144.02 . . 0 "[ . 1 . 2]"
52 . 1 31 ILE N 1 31 ILE CA 1 31 ILE C 1 32 VAL N 128.00 -172.00 -172.62 -174.34 -176.31 0.85 7 0 "[ . 1 . 2]"
53 . 1 31 ILE C 1 32 VAL N 1 32 VAL CA 1 32 VAL C -172.00 -112.00 -155.52 -158.31 -149.85 . . 0 "[ . 1 . 2]"
54 . 1 32 VAL N 1 32 VAL CA 1 32 VAL C 1 33 SER N 103.00 163.00 118.63 114.32 121.95 . . 0 "[ . 1 . 2]"
55 . 1 32 VAL C 1 33 SER N 1 33 SER CA 1 33 SER C -138.00 -78.00 -142.07 -144.57 -140.53 6.57 12 4 "[ . * 1-+* . 2]"
56 . 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 GLY N 125.00 -175.00 144.94 143.89 143.41 . . 0 "[ . 1 . 2]"
57 . 1 33 SER C 1 34 GLY N 1 34 GLY CA 1 34 GLY C 49.00 109.00 71.96 68.54 74.53 . . 0 "[ . 1 . 2]"
58 . 1 34 GLY N 1 34 GLY CA 1 34 GLY C 1 35 LYS N -29.00 31.00 45.55 44.78 44.62 16.56 11 20 [**********+********-]
59 . 1 34 GLY C 1 35 LYS N 1 35 LYS CA 1 35 LYS C -110.00 -50.00 -46.84 -48.09 -44.56 5.44 11 1 "[ . 1+ . 2]"
60 . 1 35 LYS N 1 35 LYS CA 1 35 LYS C 1 36 PRO N 84.00 144.00 144.53 142.36 148.10 4.10 11 0 "[ . 1 . 2]"
61 . 1 35 LYS C 1 36 PRO N 1 36 PRO CA 1 36 PRO C -87.00 -27.00 -34.83 -34.47 -35.11 . . 0 "[ . 1 . 2]"
62 . 1 36 PRO N 1 36 PRO CA 1 36 PRO C 1 37 THR N -58.00 2.00 -32.18 -36.46 -28.82 . . 0 "[ . 1 . 2]"
63 . 1 36 PRO C 1 37 THR N 1 37 THR CA 1 37 THR C -117.00 -57.00 -80.93 -82.89 -84.14 . . 0 "[ . 1 . 2]"
64 . 1 37 THR N 1 37 THR CA 1 37 THR C 1 38 THR N -39.00 21.00 -35.03 -39.35 -31.99 0.35 20 0 "[ . 1 . 2]"
65 . 1 37 THR C 1 38 THR N 1 38 THR CA 1 38 THR C -138.00 -78.00 -140.26 -140.04 -140.16 3.44 5 0 "[ . 1 . 2]"
66 . 1 38 THR N 1 38 THR CA 1 38 THR C 1 39 PRO N 72.00 132.00 72.99 70.55 74.63 1.45 10 0 "[ . 1 . 2]"
67 . 1 38 THR C 1 39 PRO N 1 39 PRO CA 1 39 PRO C -99.00 -39.00 -70.77 -70.21 -70.62 . . 0 "[ . 1 . 2]"
68 . 1 39 PRO N 1 39 PRO CA 1 39 PRO C 1 40 THR N 116.00 176.00 162.38 162.38 161.73 . . 0 "[ . 1 . 2]"
69 . 1 39 PRO C 1 40 THR N 1 40 THR CA 1 40 THR C -115.00 -55.00 -73.90 -78.69 -69.79 . . 0 "[ . 1 . 2]"
70 . 1 40 THR N 1 40 THR CA 1 40 THR C 1 41 PRO N 103.00 163.00 152.46 149.50 154.50 . . 0 "[ . 1 . 2]"
71 . 1 43 GLY C 1 44 VAL N 1 44 VAL CA 1 44 VAL C -133.00 -73.00 -127.91 -130.77 -125.77 . . 0 "[ . 1 . 2]"
72 . 1 44 VAL N 1 44 VAL CA 1 44 VAL C 1 45 PHE N 97.00 157.00 106.43 108.88 108.17 . . 0 "[ . 1 . 2]"
73 . 1 44 VAL C 1 45 PHE N 1 45 PHE CA 1 45 PHE C -136.00 -76.00 -110.27 -113.14 -113.68 . . 0 "[ . 1 . 2]"
74 . 1 45 PHE N 1 45 PHE CA 1 45 PHE C 1 46 TYR N 126.00 -174.00 163.27 166.33 164.16 . . 0 "[ . 1 . 2]"
75 . 1 45 PHE C 1 46 TYR N 1 46 TYR CA 1 46 TYR C -158.00 -98.00 -148.04 -150.80 -146.01 . . 0 "[ . 1 . 2]"
76 . 1 46 TYR N 1 46 TYR CA 1 46 TYR C 1 47 VAL N 128.00 -172.00 137.42 135.29 139.83 . . 0 "[ . 1 . 2]"
77 . 1 46 TYR C 1 47 VAL N 1 47 VAL CA 1 47 VAL C -130.00 -70.00 -74.03 -73.82 -74.36 . . 0 "[ . 1 . 2]"
78 . 1 47 VAL N 1 47 VAL CA 1 47 VAL C 1 48 TRP N 95.00 155.00 122.92 118.20 125.98 . . 0 "[ . 1 . 2]"
79 . 1 47 VAL C 1 48 TRP N 1 48 TRP CA 1 48 TRP C -117.00 -57.00 -109.17 -113.04 -106.31 . . 0 "[ . 1 . 2]"
80 . 1 48 TRP N 1 48 TRP CA 1 48 TRP C 1 49 ASN N -49.00 11.00 3.51 2.75 2.40 . . 0 "[ . 1 . 2]"
81 . 1 48 TRP C 1 49 ASN N 1 49 ASN CA 1 49 ASN C -179.00 -119.00 -164.13 -161.52 -162.56 . . 0 "[ . 1 . 2]"
82 . 1 49 ASN N 1 49 ASN CA 1 49 ASN C 1 50 LYS N 134.00 -166.00 148.83 144.72 151.85 . . 0 "[ . 1 . 2]"
83 . 1 49 ASN C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -156.00 -96.00 -112.06 -119.73 -107.24 . . 0 "[ . 1 . 2]"
84 . 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 GLU N 110.00 170.00 115.50 109.05 128.37 0.95 19 0 "[ . 1 . 2]"
85 . 1 50 LYS C 1 51 GLU N 1 51 GLU CA 1 51 GLU C -160.00 -100.00 -116.75 -116.73 -118.33 . . 0 "[ . 1 . 2]"
86 . 1 51 GLU N 1 51 GLU CA 1 51 GLU C 1 52 GLU N 114.00 174.00 122.35 128.11 125.10 2.02 18 0 "[ . 1 . 2]"
87 . 1 51 GLU C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -157.00 -97.00 -119.48 -131.68 -103.84 . . 0 "[ . 1 . 2]"
88 . 1 52 GLU N 1 52 GLU CA 1 52 GLU C 1 53 ASP N 129.00 -171.00 138.27 134.15 145.00 . . 0 "[ . 1 . 2]"
89 . 1 53 ASP C 1 54 ALA N 1 54 ALA CA 1 54 ALA C -146.00 -86.00 -88.74 -95.76 -82.33 3.67 18 0 "[ . 1 . 2]"
90 . 1 54 ALA N 1 54 ALA CA 1 54 ALA C 1 55 THR N 109.00 169.00 169.84 167.13 171.16 2.16 20 0 "[ . 1 . 2]"
91 . 1 54 ALA C 1 55 THR N 1 55 THR CA 1 55 THR C -130.00 -70.00 -127.62 -128.72 -129.32 . . 0 "[ . 1 . 2]"
92 . 1 55 THR N 1 55 THR CA 1 55 THR C 1 56 LEU N 103.00 163.00 104.06 104.91 104.56 1.94 3 0 "[ . 1 . 2]"
93 . 1 55 THR C 1 56 LEU N 1 56 LEU CA 1 56 LEU C -129.00 -69.00 -73.35 -76.57 -71.02 . . 0 "[ . 1 . 2]"
94 . 1 56 LEU N 1 56 LEU CA 1 56 LEU C 1 57 LYS N 94.00 154.00 157.03 155.87 155.06 4.90 5 0 "[ . 1 . 2]"
95 . 1 56 LEU C 1 57 LYS N 1 57 LYS CA 1 57 LYS C -169.00 -109.00 -150.27 -149.95 -150.83 . . 0 "[ . 1 . 2]"
96 . 1 57 LYS N 1 57 LYS CA 1 57 LYS C 1 58 GLY N 122.00 -178.00 179.45 -177.46 175.59 2.56 2 0 "[ . 1 . 2]"
97 . 1 58 GLY C 1 59 THR N 1 59 THR CA 1 59 THR C -142.00 -82.00 -126.16 -142.87 -91.40 0.87 5 0 "[ . 1 . 2]"
98 . 1 59 THR N 1 59 THR CA 1 59 THR C 1 60 ASN N 114.00 174.00 120.87 115.82 124.24 . . 0 "[ . 1 . 2]"
99 . 1 59 THR C 1 60 ASN N 1 60 ASN CA 1 60 ASN C -100.00 -40.00 -52.89 -55.62 -50.21 . . 0 "[ . 1 . 2]"
100 . 1 60 ASN N 1 60 ASN CA 1 60 ASN C 1 61 ASP N 116.00 176.00 -179.39 179.97 179.49 5.82 5 7 "[ *+ - ** . **2]"
101 . 1 60 ASN C 1 61 ASP N 1 61 ASP CA 1 61 ASP C -92.00 -32.00 -53.26 -53.47 -54.61 . . 0 "[ . 1 . 2]"
102 . 1 61 ASP N 1 61 ASP CA 1 61 ASP C 1 62 ASP N -55.00 5.00 -24.08 -22.51 -23.68 . . 0 "[ . 1 . 2]"
103 . 1 61 ASP C 1 62 ASP N 1 62 ASP CA 1 62 ASP C -115.00 -55.00 -95.85 -108.88 -88.00 . . 0 "[ . 1 . 2]"
104 . 1 62 ASP N 1 62 ASP CA 1 62 ASP C 1 63 GLY N -24.00 36.00 -27.33 -24.70 -25.33 6.08 18 5 "[ *. 1 *- . +*2]"
105 . 1 62 ASP C 1 63 GLY N 1 63 GLY CA 1 63 GLY C 56.00 116.00 105.40 96.07 116.73 0.73 12 0 "[ . 1 . 2]"
106 . 1 63 GLY N 1 63 GLY CA 1 63 GLY C 1 64 THR N -23.00 37.00 34.39 33.41 32.95 0.54 5 0 "[ . 1 . 2]"
107 . 1 63 GLY C 1 64 THR N 1 64 THR CA 1 64 THR C -129.00 -69.00 -117.10 -119.20 -113.84 . . 0 "[ . 1 . 2]"
108 . 1 64 THR N 1 64 THR CA 1 64 THR C 1 65 PRO N 91.00 151.00 130.32 126.94 126.81 2.32 17 0 "[ . 1 . 2]"
109 . 1 64 THR C 1 65 PRO N 1 65 PRO CA 1 65 PRO C -96.00 -36.00 -67.23 -67.69 -69.60 . . 0 "[ . 1 . 2]"
110 . 1 65 PRO N 1 65 PRO CA 1 65 PRO C 1 66 TYR N 118.00 178.00 156.20 146.99 144.45 . . 0 "[ . 1 . 2]"
111 . 1 65 PRO C 1 66 TYR N 1 66 TYR CA 1 66 TYR C -158.00 -98.00 -140.28 -155.01 -128.99 . . 0 "[ . 1 . 2]"
112 . 1 66 TYR N 1 66 TYR CA 1 66 TYR C 1 67 GLU N 128.00 -172.00 -172.64 -174.69 -175.95 3.23 13 0 "[ . 1 . 2]"
113 . 1 66 TYR C 1 67 GLU N 1 67 GLU CA 1 67 GLU C -157.00 -97.00 -144.88 -148.79 -137.74 . . 0 "[ . 1 . 2]"
114 . 1 67 GLU N 1 67 GLU CA 1 67 GLU C 1 68 SER N 105.00 165.00 159.09 154.80 163.10 . . 0 "[ . 1 . 2]"
115 . 1 67 GLU C 1 68 SER N 1 68 SER CA 1 68 SER C -142.00 -82.00 -138.64 -138.69 -140.10 2.12 5 0 "[ . 1 . 2]"
116 . 1 68 SER N 1 68 SER CA 1 68 SER C 1 69 PRO N 100.00 160.00 98.83 99.75 99.43 2.24 6 0 "[ . 1 . 2]"
117 . 1 68 SER C 1 69 PRO N 1 69 PRO CA 1 69 PRO C -104.00 -44.00 -67.72 -68.93 -66.89 . . 0 "[ . 1 . 2]"
118 . 1 69 PRO N 1 69 PRO CA 1 69 PRO C 1 70 VAL N 110.00 170.00 103.63 101.05 109.01 8.95 16 15 "[**-*. ***1* **.+****]"
119 . 1 69 PRO C 1 70 VAL N 1 70 VAL CA 1 70 VAL C -146.00 -86.00 -116.31 -122.82 -113.64 . . 0 "[ . 1 . 2]"
120 . 1 70 VAL N 1 70 VAL CA 1 70 VAL C 1 71 ASN N 120.00 180.00 159.35 133.91 165.34 . . 0 "[ . 1 . 2]"
121 . 1 71 ASN C 1 72 TYR N 1 72 TYR CA 1 72 TYR C -167.00 -107.00 -135.90 -142.77 -125.53 . . 0 "[ . 1 . 2]"
122 . 1 72 TYR N 1 72 TYR CA 1 72 TYR C 1 73 TRP N 117.00 177.00 116.18 116.85 116.25 3.54 13 0 "[ . 1 . 2]"
123 . 1 72 TYR C 1 73 TRP N 1 73 TRP CA 1 73 TRP C -152.00 -92.00 -123.73 -125.56 -122.59 . . 0 "[ . 1 . 2]"
124 . 1 73 TRP N 1 73 TRP CA 1 73 TRP C 1 74 MET N 106.00 166.00 135.12 134.04 136.39 . . 0 "[ . 1 . 2]"
125 . 1 73 TRP C 1 74 MET N 1 74 MET CA 1 74 MET C -143.00 -83.00 -135.61 -134.94 -135.56 . . 0 "[ . 1 . 2]"
126 . 1 74 MET N 1 74 MET CA 1 74 MET C 1 75 PRO N 85.00 145.00 86.01 86.54 86.38 1.51 18 0 "[ . 1 . 2]"
127 . 1 74 MET C 1 75 PRO N 1 75 PRO CA 1 75 PRO C -96.00 -36.00 -71.79 -73.68 -70.31 . . 0 "[ . 1 . 2]"
128 . 1 75 PRO N 1 75 PRO CA 1 75 PRO C 1 76 ILE N 125.00 -175.00 140.26 137.87 141.75 . . 0 "[ . 1 . 2]"
129 . 1 76 ILE C 1 77 ASP N 1 77 ASP CA 1 77 ASP C -133.00 -73.00 -134.84 -136.31 -133.70 3.31 3 0 "[ . 1 . 2]"
130 . 1 77 ASP N 1 77 ASP CA 1 77 ASP C 1 78 TRP N 130.00 -170.00 166.06 168.85 166.01 . . 0 "[ . 1 . 2]"
131 . 1 77 ASP C 1 78 TRP N 1 78 TRP CA 1 78 TRP C -104.00 -44.00 -96.53 -101.75 -87.92 . . 0 "[ . 1 . 2]"
132 . 1 78 TRP N 1 78 TRP CA 1 78 TRP C 1 79 THR N -49.00 11.00 14.56 13.32 16.43 5.43 9 2 "[ . +1 - . 2]"
133 . 1 78 TRP C 1 79 THR N 1 79 THR CA 1 79 THR C -130.00 -70.00 -95.37 -100.16 -91.36 . . 0 "[ . 1 . 2]"
134 . 1 79 THR N 1 79 THR CA 1 79 THR C 1 80 GLY N -25.00 35.00 -27.13 -28.36 -25.60 3.36 10 0 "[ . 1 . 2]"
135 . 1 80 GLY C 1 81 VAL N 1 81 VAL CA 1 81 VAL C -102.00 -42.00 -102.57 -105.12 -98.07 3.12 9 0 "[ . 1 . 2]"
136 . 1 81 VAL N 1 81 VAL CA 1 81 VAL C 1 82 GLY N 104.00 164.00 148.99 146.36 152.40 . . 0 "[ . 1 . 2]"
137 . 1 82 GLY C 1 83 ILE N 1 83 ILE CA 1 83 ILE C -155.00 -95.00 -103.43 -105.53 -101.97 . . 0 "[ . 1 . 2]"
138 . 1 83 ILE N 1 83 ILE CA 1 83 ILE C 1 84 HIS N 115.00 175.00 139.56 140.08 139.55 . . 0 "[ . 1 . 2]"
139 . 1 83 ILE C 1 84 HIS N 1 84 HIS CA 1 84 HIS C -166.00 -106.00 -150.73 -154.16 -146.52 . . 0 "[ . 1 . 2]"
140 . 1 84 HIS N 1 84 HIS CA 1 84 HIS C 1 85 ASP N 117.00 177.00 165.78 164.16 163.72 . . 0 "[ . 1 . 2]"
141 . 1 85 ASP C 1 86 SER N 1 86 SER CA 1 86 SER C -143.00 -83.00 -135.60 -130.95 -131.36 . . 0 "[ . 1 . 2]"
142 . 1 86 SER N 1 86 SER CA 1 86 SER C 1 87 ASP N 111.00 171.00 102.26 101.46 101.07 11.35 5 20 [****+***-***********]
143 . 1 86 SER C 1 87 ASP N 1 87 ASP CA 1 87 ASP C -89.00 -29.00 -94.43 -94.61 -94.82 7.00 8 13 "[*-* * +** **.****2]"
144 . 1 87 ASP N 1 87 ASP CA 1 87 ASP C 1 88 TRP N -65.00 -5.00 -30.62 -32.36 -33.37 . . 0 "[ . 1 . 2]"
145 . 1 87 ASP C 1 88 TRP N 1 88 TRP CA 1 88 TRP C -124.00 -64.00 -69.03 -72.65 -63.53 0.47 1 0 "[ . 1 . 2]"
146 . 1 88 TRP N 1 88 TRP CA 1 88 TRP C 1 89 GLN N -27.00 33.00 -26.84 -27.64 -24.61 0.64 3 0 "[ . 1 . 2]"
147 . 1 88 TRP C 1 89 GLN N 1 89 GLN CA 1 89 GLN C -120.00 -60.00 -119.03 -120.69 -120.81 1.36 18 0 "[ . 1 . 2]"
148 . 1 89 GLN N 1 89 GLN CA 1 89 GLN C 1 90 PRO N 85.00 145.00 83.49 80.16 100.20 4.84 2 0 "[ . 1 . 2]"
149 . 1 90 PRO C 1 91 GLU N 1 91 GLU CA 1 91 GLU C -177.00 -117.00 -114.44 -115.68 -112.97 4.03 9 0 "[ . 1 . 2]"
150 . 1 91 GLU N 1 91 GLU CA 1 91 GLU C 1 92 TYR N 129.00 -171.00 152.57 147.64 157.17 . . 0 "[ . 1 . 2]"
151 . 1 91 GLU C 1 92 TYR N 1 92 TYR CA 1 92 TYR C -163.00 -103.00 -162.52 -160.99 -162.74 1.20 3 0 "[ . 1 . 2]"
152 . 1 92 TYR N 1 92 TYR CA 1 92 TYR C 1 93 GLY N 126.00 -174.00 126.21 131.38 128.43 2.28 8 0 "[ . 1 . 2]"
153 . 1 92 TYR C 1 93 GLY N 1 93 GLY CA 1 93 GLY C 155.00 -145.00 147.58 146.55 148.55 8.45 19 20 [******-***********+*]
154 . 1 93 GLY N 1 93 GLY CA 1 93 GLY C 1 94 GLY N 134.00 -166.00 -166.84 -169.01 -164.54 1.46 19 0 "[ . 1 . 2]"
155 . 1 93 GLY C 1 94 GLY N 1 94 GLY CA 1 94 GLY C -85.00 -25.00 -30.26 -30.49 -30.90 . . 0 "[ . 1 . 2]"
156 . 1 94 GLY N 1 94 GLY CA 1 94 GLY C 1 95 ASP N 104.00 164.00 153.43 149.58 156.64 . . 0 "[ . 1 . 2]"
157 . 1 94 GLY C 1 95 ASP N 1 95 ASP CA 1 95 ASP C -126.00 -66.00 -54.66 -55.97 -56.36 14.92 3 20 [**+****************-]
158 . 1 95 ASP N 1 95 ASP CA 1 95 ASP C 1 96 LEU N 109.00 169.00 100.88 100.96 100.81 8.67 4 20 [***+*****-**********]
159 . 1 95 ASP C 1 96 LEU N 1 96 LEU CA 1 96 LEU C -90.00 -30.00 -97.16 -97.84 -96.49 7.84 16 20 [-**************+****]
160 . 1 96 LEU N 1 96 LEU CA 1 96 LEU C 1 97 TRP N -62.00 -2.00 -32.10 -31.71 -31.94 . . 0 "[ . 1 . 2]"
161 . 1 96 LEU C 1 97 TRP N 1 97 TRP CA 1 97 TRP C -96.00 -36.00 -46.81 -50.13 -44.78 . . 0 "[ . 1 . 2]"
162 . 1 97 TRP N 1 97 TRP CA 1 97 TRP C 1 98 LYS N -69.00 -9.00 -36.82 -40.23 -30.87 . . 0 "[ . 1 . 2]"
163 . 1 97 TRP C 1 98 LYS N 1 98 LYS CA 1 98 LYS C -95.00 -35.00 -61.59 -66.65 -58.27 . . 0 "[ . 1 . 2]"
164 . 1 98 LYS N 1 98 LYS CA 1 98 LYS C 1 99 THR N -65.00 -5.00 -24.01 -25.23 -26.12 . . 0 "[ . 1 . 2]"
165 . 1 98 LYS C 1 99 THR N 1 99 THR CA 1 99 THR C -129.00 -69.00 -114.65 -120.72 -111.53 . . 0 "[ . 1 . 2]"
166 . 1 99 THR N 1 99 THR CA 1 99 THR C 1 100 ARG N -38.00 22.00 -36.68 -38.72 -35.02 0.72 11 0 "[ . 1 . 2]"
167 . 1 99 THR C 1 100 ARG N 1 100 ARG CA 1 100 ARG C -134.00 -74.00 -84.15 -83.72 -84.53 . . 0 "[ . 1 . 2]"
168 . 1 100 ARG N 1 100 ARG CA 1 100 ARG C 1 101 GLY N -12.00 48.00 -15.78 -18.85 -14.76 6.85 2 1 "[ + . 1 . 2]"
169 . 1 100 ARG C 1 101 GLY N 1 101 GLY CA 1 101 GLY C 52.00 112.00 74.88 75.48 75.03 . . 0 "[ . 1 . 2]"
170 . 1 101 GLY N 1 101 GLY CA 1 101 GLY C 1 102 SER N -20.00 40.00 41.61 42.45 42.05 3.79 17 0 "[ . 1 . 2]"
171 . 1 101 GLY C 1 102 SER N 1 102 SER CA 1 102 SER C -140.00 -80.00 -84.15 -85.26 -85.62 0.44 7 0 "[ . 1 . 2]"
172 . 1 102 SER N 1 102 SER CA 1 102 SER C 1 103 HIS N 132.00 -168.00 133.46 130.10 141.80 1.90 9 0 "[ . 1 . 2]"
173 . 1 103 HIS C 1 104 GLY N 1 104 GLY CA 1 104 GLY C 56.00 116.00 87.68 80.72 94.92 . . 0 "[ . 1 . 2]"
174 . 1 104 GLY N 1 104 GLY CA 1 104 GLY C 1 105 CYS N -29.00 31.00 -11.93 -9.81 -11.11 . . 0 "[ . 1 . 2]"
175 . 1 105 CYS C 1 106 ILE N 1 106 ILE CA 1 106 ILE C -126.00 -66.00 -97.21 -92.01 -94.98 . . 0 "[ . 1 . 2]"
176 . 1 106 ILE N 1 106 ILE CA 1 106 ILE C 1 107 ASN N 97.00 157.00 117.02 112.94 123.20 . . 0 "[ . 1 . 2]"
177 . 1 106 ILE C 1 107 ASN N 1 107 ASN CA 1 107 ASN C -137.00 -77.00 -79.63 -85.49 -76.66 0.34 1 0 "[ . 1 . 2]"
178 . 1 107 ASN N 1 107 ASN CA 1 107 ASN C 1 108 THR N 83.00 143.00 88.11 82.44 93.74 0.56 19 0 "[ . 1 . 2]"
179 . 1 107 ASN C 1 108 THR N 1 108 THR CA 1 108 THR C -147.00 -87.00 -88.49 -90.00 -91.22 0.37 12 0 "[ . 1 . 2]"
180 . 1 108 THR N 1 108 THR CA 1 108 THR C 1 109 PRO N 92.00 152.00 137.99 135.65 140.85 . . 0 "[ . 1 . 2]"
181 . 1 108 THR C 1 109 PRO N 1 109 PRO CA 1 109 PRO C -90.00 -30.00 -56.58 -55.75 -56.79 . . 0 "[ . 1 . 2]"
182 . 1 109 PRO N 1 109 PRO CA 1 109 PRO C 1 110 PRO N 115.00 175.00 135.14 131.93 136.81 . . 0 "[ . 1 . 2]"
183 . 1 109 PRO C 1 110 PRO N 1 110 PRO CA 1 110 PRO C -83.00 -23.00 -54.32 -55.34 -55.65 . . 0 "[ . 1 . 2]"
184 . 1 110 PRO N 1 110 PRO CA 1 110 PRO C 1 111 SER N -66.00 -6.00 -34.40 -31.66 -31.98 . . 0 "[ . 1 . 2]"
185 . 1 110 PRO C 1 111 SER N 1 111 SER CA 1 111 SER C -97.00 -37.00 -78.73 -81.72 -82.02 . . 0 "[ . 1 . 2]"
186 . 1 111 SER N 1 111 SER CA 1 111 SER C 1 112 VAL N -64.00 -4.00 -39.40 -42.22 -37.59 . . 0 "[ . 1 . 2]"
187 . 1 111 SER C 1 112 VAL N 1 112 VAL CA 1 112 VAL C -98.00 -38.00 -79.15 -79.58 -80.29 . . 0 "[ . 1 . 2]"
188 . 1 112 VAL N 1 112 VAL CA 1 112 VAL C 1 113 MET N -70.00 -10.00 -29.52 -31.25 -26.85 . . 0 "[ . 1 . 2]"
189 . 1 112 VAL C 1 113 MET N 1 113 MET CA 1 113 MET C -95.00 -35.00 -66.79 -67.68 -67.85 . . 0 "[ . 1 . 2]"
190 . 1 113 MET N 1 113 MET CA 1 113 MET C 1 114 LYS N -66.00 -6.00 -20.87 -35.48 -18.58 . . 0 "[ . 1 . 2]"
191 . 1 113 MET C 1 114 LYS N 1 114 LYS CA 1 114 LYS C -92.00 -32.00 -77.73 -79.61 -79.94 . . 0 "[ . 1 . 2]"
192 . 1 114 LYS N 1 114 LYS CA 1 114 LYS C 1 115 GLU N -74.00 -14.00 -24.48 -30.49 -22.23 . . 0 "[ . 1 . 2]"
193 . 1 114 LYS C 1 115 GLU N 1 115 GLU CA 1 115 GLU C -97.00 -37.00 -79.45 -80.35 -80.54 . . 0 "[ . 1 . 2]"
194 . 1 115 GLU N 1 115 GLU CA 1 115 GLU C 1 116 LEU N -65.00 -5.00 -46.90 -47.86 -45.87 . . 0 "[ . 1 . 2]"
195 . 1 115 GLU C 1 116 LEU N 1 116 LEU CA 1 116 LEU C -94.00 -34.00 -64.65 -64.68 -64.76 . . 0 "[ . 1 . 2]"
196 . 1 116 LEU N 1 116 LEU CA 1 116 LEU C 1 117 PHE N -72.00 -12.00 -67.14 -67.78 -66.49 . . 0 "[ . 1 . 2]"
197 . 1 116 LEU C 1 117 PHE N 1 117 PHE CA 1 117 PHE C -98.00 -38.00 -50.36 -52.99 -48.94 . . 0 "[ . 1 . 2]"
198 . 1 117 PHE N 1 117 PHE CA 1 117 PHE C 1 118 GLY N -69.00 -9.00 -26.58 -28.62 -24.70 . . 0 "[ . 1 . 2]"
199 . 1 117 PHE C 1 118 GLY N 1 118 GLY CA 1 118 GLY C -110.00 -50.00 -71.10 -69.58 -70.20 . . 0 "[ . 1 . 2]"
200 . 1 118 GLY N 1 118 GLY CA 1 118 GLY C 1 119 MET N -62.00 -2.00 -30.18 -32.77 -26.01 . . 0 "[ . 1 . 2]"
201 . 1 118 GLY C 1 119 MET N 1 119 MET CA 1 119 MET C -122.00 -62.00 -89.48 -94.97 -87.50 . . 0 "[ . 1 . 2]"
202 . 1 119 MET N 1 119 MET CA 1 119 MET C 1 120 VAL N -45.00 15.00 -48.68 -49.92 -47.96 4.92 6 0 "[ . 1 . 2]"
203 . 1 119 MET C 1 120 VAL N 1 120 VAL CA 1 120 VAL C -106.00 -46.00 -103.44 -108.61 -100.26 2.61 6 0 "[ . 1 . 2]"
204 . 1 120 VAL N 1 120 VAL CA 1 120 VAL C 1 121 GLU N 112.00 172.00 136.91 132.08 139.23 . . 0 "[ . 1 . 2]"
205 . 1 120 VAL C 1 121 GLU N 1 121 GLU CA 1 121 GLU C -135.00 -75.00 -137.46 -140.82 -136.19 5.82 6 2 "[ - .+ 1 . 2]"
206 . 1 121 GLU N 1 121 GLU CA 1 121 GLU C 1 122 LYS N 117.00 177.00 -178.07 -177.01 -178.18 6.81 3 5 "[ -+ *** 1 . 2]"
207 . 1 121 GLU C 1 122 LYS N 1 122 LYS CA 1 122 LYS C -89.00 -29.00 -50.41 -47.09 -50.44 . . 0 "[ . 1 . 2]"
208 . 1 122 LYS N 1 122 LYS CA 1 122 LYS C 1 123 GLY N 104.00 164.00 159.81 153.43 163.39 . . 0 "[ . 1 . 2]"
209 . 1 122 LYS C 1 123 GLY N 1 123 GLY CA 1 123 GLY C 66.00 126.00 92.11 97.37 95.22 . . 0 "[ . 1 . 2]"
210 . 1 123 GLY N 1 123 GLY CA 1 123 GLY C 1 124 THR N -43.00 17.00 -30.71 -36.89 18.01 1.01 10 0 "[ . 1 . 2]"
211 . 1 123 GLY C 1 124 THR N 1 124 THR CA 1 124 THR C -118.00 -58.00 -80.27 -82.01 -82.92 . . 0 "[ . 1 . 2]"
212 . 1 124 THR N 1 124 THR CA 1 124 THR C 1 125 PRO N 102.00 162.00 141.75 141.61 141.33 . . 0 "[ . 1 . 2]"
213 . 1 124 THR C 1 125 PRO N 1 125 PRO CA 1 125 PRO C -93.00 -33.00 -75.14 -76.09 -77.57 . . 0 "[ . 1 . 2]"
214 . 1 125 PRO N 1 125 PRO CA 1 125 PRO C 1 126 VAL N 117.00 177.00 167.65 161.56 173.69 . . 0 "[ . 1 . 2]"
215 . 1 125 PRO C 1 126 VAL N 1 126 VAL CA 1 126 VAL C -143.00 -83.00 -135.29 -135.57 -135.70 . . 0 "[ . 1 . 2]"
216 . 1 126 VAL N 1 126 VAL CA 1 126 VAL C 1 127 LEU N 101.00 161.00 150.56 131.42 160.17 . . 0 "[ . 1 . 2]"
217 . 1 126 VAL C 1 127 LEU N 1 127 LEU CA 1 127 LEU C -133.00 -73.00 -123.25 -119.41 -123.40 . . 0 "[ . 1 . 2]"
218 . 1 127 LEU N 1 127 LEU CA 1 127 LEU C 1 128 VAL N 95.00 155.00 144.77 142.03 146.22 . . 0 "[ . 1 . 2]"
219 . 1 127 LEU C 1 128 VAL N 1 128 VAL CA 1 128 VAL C -141.00 -81.00 -143.22 -143.70 -142.89 2.70 6 0 "[ . 1 . 2]"
220 . 1 128 VAL N 1 128 VAL CA 1 128 VAL C 1 129 PHE N 94.00 154.00 147.13 149.91 148.14 . . 0 "[ . 1 . 2]"
stop_
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