NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
647287 |
6yi3   |
34511 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6yi3
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 176
_TA_constraint_stats_list.Viol_count 310
_TA_constraint_stats_list.Viol_total 13748.62
_TA_constraint_stats_list.Viol_max 14.68
_TA_constraint_stats_list.Viol_rms 0.52
_TA_constraint_stats_list.Viol_average_all_restraints 0.05
_TA_constraint_stats_list.Viol_average_violations_only 1.11
_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 10 ALA C 1 11 SER N 1 11 SER CA 1 11 SER C -131.20 -42.20 -61.52 -67.67 -54.83 . . 0 "[ . 1 . 2 . 3 . 4]"
2 . 1 11 SER N 1 11 SER CA 1 11 SER C 1 12 TRP N 102.60 174.60 141.76 134.97 145.86 . . 0 "[ . 1 . 2 . 3 . 4]"
3 . 1 11 SER C 1 12 TRP N 1 12 TRP CA 1 12 TRP C -104.50 -44.10 -67.73 -73.05 -64.27 . . 0 "[ . 1 . 2 . 3 . 4]"
4 . 1 12 TRP N 1 12 TRP CA 1 12 TRP C 1 13 PHE N -55.00 -26.80 -23.32 -27.21 -21.72 5.08 40 1 "[ . 1 . 2 . 3 . +]"
5 . 1 12 TRP C 1 13 PHE N 1 13 PHE CA 1 13 PHE C 179.10 -121.50 -121.37 -121.43 -121.46 4.66 28 0 "[ . 1 . 2 . 3 . 4]"
6 . 1 13 PHE N 1 13 PHE CA 1 13 PHE C 1 14 THR N 126.30 -169.10 162.21 156.15 165.60 . . 0 "[ . 1 . 2 . 3 . 4]"
7 . 1 13 PHE C 1 14 THR N 1 14 THR CA 1 14 THR C 179.40 -45.20 -69.78 -72.55 -65.67 . . 0 "[ . 1 . 2 . 3 . 4]"
8 . 1 14 THR N 1 14 THR CA 1 14 THR C 1 15 ALA N 138.30 -165.90 164.56 160.43 172.69 . . 0 "[ . 1 . 2 . 3 . 4]"
9 . 1 14 THR C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -145.50 -29.90 -79.84 -76.81 -77.43 . . 0 "[ . 1 . 2 . 3 . 4]"
10 . 1 15 ALA N 1 15 ALA CA 1 15 ALA C 1 16 LEU N 120.70 176.10 143.51 120.71 157.51 . . 0 "[ . 1 . 2 . 3 . 4]"
11 . 1 15 ALA C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -159.40 -63.00 -85.00 -87.40 -89.02 . . 0 "[ . 1 . 2 . 3 . 4]"
12 . 1 16 LEU N 1 16 LEU CA 1 16 LEU C 1 17 THR N 111.30 148.90 145.09 144.92 143.84 0.05 14 0 "[ . 1 . 2 . 3 . 4]"
13 . 1 16 LEU C 1 17 THR N 1 17 THR CA 1 17 THR C -130.10 -87.10 -120.00 -130.12 -87.19 0.02 23 0 "[ . 1 . 2 . 3 . 4]"
14 . 1 17 THR N 1 17 THR CA 1 17 THR C 1 18 GLN N 94.90 163.50 135.67 133.00 131.98 . . 0 "[ . 1 . 2 . 3 . 4]"
15 . 1 17 THR C 1 18 GLN N 1 18 GLN CA 1 18 GLN C -152.90 -76.90 -102.95 -91.07 -93.24 . . 0 "[ . 1 . 2 . 3 . 4]"
16 . 1 18 GLN N 1 18 GLN CA 1 18 GLN C 1 19 HIS N 102.50 170.70 137.86 148.69 146.00 . . 0 "[ . 1 . 2 . 3 . 4]"
17 . 1 18 GLN C 1 19 HIS N 1 19 HIS CA 1 19 HIS C -139.40 -37.00 -132.34 -139.46 -89.71 0.06 12 0 "[ . 1 . 2 . 3 . 4]"
18 . 1 19 HIS N 1 19 HIS CA 1 19 HIS C 1 20 GLY N 99.50 173.50 98.62 94.68 100.10 4.82 14 0 "[ . 1 . 2 . 3 . 4]"
19 . 1 22 GLU C 1 23 ASP N 1 23 ASP CA 1 23 ASP C -137.80 -55.80 -82.33 -88.97 -93.18 . . 0 "[ . 1 . 2 . 3 . 4]"
20 . 1 23 ASP N 1 23 ASP CA 1 23 ASP C 1 24 LEU N -62.90 39.30 -57.96 -62.78 -62.80 3.18 35 0 "[ . 1 . 2 . 3 . 4]"
21 . 1 24 LEU C 1 25 LYS N 1 25 LYS CA 1 25 LYS C -171.10 -81.90 -155.58 -161.94 -148.18 . . 0 "[ . 1 . 2 . 3 . 4]"
22 . 1 25 LYS N 1 25 LYS CA 1 25 LYS C 1 26 PHE N 111.00 177.00 137.98 140.39 139.75 . . 0 "[ . 1 . 2 . 3 . 4]"
23 . 1 25 LYS C 1 26 PHE N 1 26 PHE CA 1 26 PHE C -177.60 -85.20 -123.93 -135.70 -106.81 . . 0 "[ . 1 . 2 . 3 . 4]"
24 . 1 26 PHE N 1 26 PHE CA 1 26 PHE C 1 27 PRO N 44.90 177.10 151.76 136.27 159.80 . . 0 "[ . 1 . 2 . 3 . 4]"
25 . 1 27 PRO C 1 28 ARG N 1 28 ARG CA 1 28 ARG C -78.40 -40.80 -69.04 -78.41 -62.47 0.01 29 0 "[ . 1 . 2 . 3 . 4]"
26 . 1 28 ARG N 1 28 ARG CA 1 28 ARG C 1 29 GLY N 123.40 147.80 134.21 134.98 134.63 . . 0 "[ . 1 . 2 . 3 . 4]"
27 . 1 28 ARG C 1 29 GLY N 1 29 GLY CA 1 29 GLY C 59.90 112.50 83.26 82.34 81.07 . . 0 "[ . 1 . 2 . 3 . 4]"
28 . 1 29 GLY N 1 29 GLY CA 1 29 GLY C 1 30 GLN N -41.50 28.10 7.92 -5.70 18.68 . . 0 "[ . 1 . 2 . 3 . 4]"
29 . 1 29 GLY C 1 30 GLN N 1 30 GLN CA 1 30 GLN C -159.50 -38.70 -148.86 -148.23 -148.37 . . 0 "[ . 1 . 2 . 3 . 4]"
30 . 1 30 GLN N 1 30 GLN CA 1 30 GLN C 1 31 GLY N 132.90 170.50 167.85 168.42 167.78 10.02 37 7 "[ . 1 . *2 * . 3 * *.*+- 4]"
31 . 1 31 GLY C 1 32 VAL N 1 32 VAL CA 1 32 VAL C -129.50 -51.30 -67.43 -65.45 -65.60 . . 0 "[ . 1 . 2 . 3 . 4]"
32 . 1 32 VAL N 1 32 VAL CA 1 32 VAL C 1 33 PRO N 89.40 163.40 132.29 127.81 127.40 . . 0 "[ . 1 . 2 . 3 . 4]"
33 . 1 33 PRO C 1 34 ILE N 1 34 ILE CA 1 34 ILE C -131.00 -43.40 -70.69 -79.30 -61.99 . . 0 "[ . 1 . 2 . 3 . 4]"
34 . 1 34 ILE N 1 34 ILE CA 1 34 ILE C 1 35 ASN N 105.60 162.00 112.21 105.64 128.11 . . 0 "[ . 1 . 2 . 3 . 4]"
35 . 1 34 ILE C 1 35 ASN N 1 35 ASN CA 1 35 ASN C -125.70 -54.50 -104.66 -99.55 -99.96 . . 0 "[ . 1 . 2 . 3 . 4]"
36 . 1 35 ASN N 1 35 ASN CA 1 35 ASN C 1 36 THR N 74.40 179.20 89.01 74.43 122.76 . . 0 "[ . 1 . 2 . 3 . 4]"
37 . 1 35 ASN C 1 36 THR N 1 36 THR CA 1 36 THR C -103.20 -22.80 -70.98 -67.28 -67.56 . . 0 "[ . 1 . 2 . 3 . 4]"
38 . 1 36 THR N 1 36 THR CA 1 36 THR C 1 37 ASN N -56.50 6.30 -17.69 -15.10 -15.49 . . 0 "[ . 1 . 2 . 3 . 4]"
39 . 1 36 THR C 1 37 ASN N 1 37 ASN CA 1 37 ASN C -130.10 -64.70 -109.57 -120.87 -100.72 . . 0 "[ . 1 . 2 . 3 . 4]"
40 . 1 37 ASN N 1 37 ASN CA 1 37 ASN C 1 38 SER N -66.20 52.80 24.09 3.66 36.85 . . 0 "[ . 1 . 2 . 3 . 4]"
41 . 1 38 SER C 1 39 SER N 1 39 SER CA 1 39 SER C -128.60 -30.40 -76.31 -72.85 -73.08 . . 0 "[ . 1 . 2 . 3 . 4]"
42 . 1 39 SER N 1 39 SER CA 1 39 SER C 1 40 PRO N 120.60 177.00 164.20 167.14 166.88 . . 0 "[ . 1 . 2 . 3 . 4]"
43 . 1 40 PRO C 1 41 ASP N 1 41 ASP CA 1 41 ASP C -75.20 -54.80 -69.79 -63.03 -71.30 3.46 27 0 "[ . 1 . 2 . 3 . 4]"
44 . 1 41 ASP N 1 41 ASP CA 1 41 ASP C 1 42 ASP N -49.90 -7.50 -23.70 -33.78 -12.62 . . 0 "[ . 1 . 2 . 3 . 4]"
45 . 1 41 ASP C 1 42 ASP N 1 42 ASP CA 1 42 ASP C -108.00 -67.00 -89.38 -107.92 -73.25 . . 0 "[ . 1 . 2 . 3 . 4]"
46 . 1 42 ASP N 1 42 ASP CA 1 42 ASP C 1 43 GLN N -38.20 1.00 -5.04 -2.57 -4.17 1.11 26 0 "[ . 1 . 2 . 3 . 4]"
47 . 1 45 GLY C 1 46 TYR N 1 46 TYR CA 1 46 TYR C -155.10 -70.10 -155.02 -155.24 -154.66 0.14 31 0 "[ . 1 . 2 . 3 . 4]"
48 . 1 46 TYR N 1 46 TYR CA 1 46 TYR C 1 47 TYR N 149.60 175.80 169.69 165.67 173.59 . . 0 "[ . 1 . 2 . 3 . 4]"
49 . 1 46 TYR C 1 47 TYR N 1 47 TYR CA 1 47 TYR C -156.30 -96.70 -111.53 -114.40 -105.98 . . 0 "[ . 1 . 2 . 3 . 4]"
50 . 1 47 TYR N 1 47 TYR CA 1 47 TYR C 1 48 ARG N 116.30 167.70 140.63 141.74 141.46 . . 0 "[ . 1 . 2 . 3 . 4]"
51 . 1 47 TYR C 1 48 ARG N 1 48 ARG CA 1 48 ARG C -174.00 -75.60 -112.72 -120.39 -105.73 . . 0 "[ . 1 . 2 . 3 . 4]"
52 . 1 48 ARG N 1 48 ARG CA 1 48 ARG C 1 49 ARG N 105.00 155.00 123.49 125.73 125.45 . . 0 "[ . 1 . 2 . 3 . 4]"
53 . 1 48 ARG C 1 49 ARG N 1 49 ARG CA 1 49 ARG C -117.80 -50.20 -68.15 -74.06 -63.06 . . 0 "[ . 1 . 2 . 3 . 4]"
54 . 1 49 ARG N 1 49 ARG CA 1 49 ARG C 1 50 ALA N 98.90 160.10 138.36 130.84 146.20 . . 0 "[ . 1 . 2 . 3 . 4]"
55 . 1 49 ARG C 1 50 ALA N 1 50 ALA CA 1 50 ALA C -152.20 -50.60 -141.00 -152.20 -69.86 0.00 13 0 "[ . 1 . 2 . 3 . 4]"
56 . 1 50 ALA N 1 50 ALA CA 1 50 ALA C 1 51 THR N 104.60 170.40 144.56 123.55 170.80 0.40 28 0 "[ . 1 . 2 . 3 . 4]"
57 . 1 50 ALA C 1 51 THR N 1 51 THR CA 1 51 THR C -176.00 -61.80 -146.11 -169.13 -61.70 0.10 28 0 "[ . 1 . 2 . 3 . 4]"
58 . 1 51 THR N 1 51 THR CA 1 51 THR C 1 52 ARG N 91.20 -176.40 153.18 117.55 176.28 . . 0 "[ . 1 . 2 . 3 . 4]"
59 . 1 51 THR C 1 52 ARG N 1 52 ARG CA 1 52 ARG C -179.60 -54.80 -143.63 -169.68 -65.71 . . 0 "[ . 1 . 2 . 3 . 4]"
60 . 1 52 ARG N 1 52 ARG CA 1 52 ARG C 1 53 ARG N 123.80 171.40 129.27 118.96 154.07 4.84 25 0 "[ . 1 . 2 . 3 . 4]"
61 . 1 52 ARG C 1 53 ARG N 1 53 ARG CA 1 53 ARG C -151.10 -88.50 -128.13 -106.93 -113.08 0.06 17 0 "[ . 1 . 2 . 3 . 4]"
62 . 1 53 ARG N 1 53 ARG CA 1 53 ARG C 1 54 ILE N 98.10 165.90 142.57 124.03 -179.42 14.68 39 1 "[ . 1 . 2 . 3 . +4]"
63 . 1 53 ARG C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -161.40 -83.40 -135.94 -148.13 -117.25 . . 0 "[ . 1 . 2 . 3 . 4]"
64 . 1 54 ILE N 1 54 ILE CA 1 54 ILE C 1 55 ARG N 101.90 -179.90 176.83 177.71 177.14 0.52 33 0 "[ . 1 . 2 . 3 . 4]"
65 . 1 54 ILE C 1 55 ARG N 1 55 ARG CA 1 55 ARG C -144.10 -40.50 -127.84 -144.04 -92.88 . . 0 "[ . 1 . 2 . 3 . 4]"
66 . 1 55 ARG N 1 55 ARG CA 1 55 ARG C 1 56 GLY N 99.20 167.00 112.02 101.62 99.40 0.04 10 0 "[ . 1 . 2 . 3 . 4]"
67 . 1 56 GLY C 1 57 GLY N 1 57 GLY CA 1 57 GLY C -81.20 -43.20 -67.01 -79.06 -58.12 . . 0 "[ . 1 . 2 . 3 . 4]"
68 . 1 57 GLY N 1 57 GLY CA 1 57 GLY C 1 58 ASP N -63.10 20.90 -36.72 -28.59 -30.94 . . 0 "[ . 1 . 2 . 3 . 4]"
69 . 1 57 GLY C 1 58 ASP N 1 58 ASP CA 1 58 ASP C -110.40 -64.40 -84.19 -81.83 -83.28 0.03 34 0 "[ . 1 . 2 . 3 . 4]"
70 . 1 58 ASP N 1 58 ASP CA 1 58 ASP C 1 59 GLY N -20.70 17.10 5.29 -20.69 17.91 0.81 15 0 "[ . 1 . 2 . 3 . 4]"
71 . 1 64 LEU C 1 65 SER N 1 65 SER CA 1 65 SER C -112.30 -45.70 -77.13 -112.35 -45.76 0.05 20 0 "[ . 1 . 2 . 3 . 4]"
72 . 1 65 SER N 1 65 SER CA 1 65 SER C 1 66 PRO N 89.70 -167.70 150.30 89.92 169.28 . . 0 "[ . 1 . 2 . 3 . 4]"
73 . 1 66 PRO C 1 67 ARG N 1 67 ARG CA 1 67 ARG C -164.20 -101.80 -123.07 -120.08 -121.59 . . 0 "[ . 1 . 2 . 3 . 4]"
74 . 1 67 ARG N 1 67 ARG CA 1 67 ARG C 1 68 TRP N 138.10 166.30 160.56 149.87 166.36 0.06 39 0 "[ . 1 . 2 . 3 . 4]"
75 . 1 67 ARG C 1 68 TRP N 1 68 TRP CA 1 68 TRP C -158.20 -78.60 -129.33 -132.72 -133.47 . . 0 "[ . 1 . 2 . 3 . 4]"
76 . 1 68 TRP N 1 68 TRP CA 1 68 TRP C 1 69 TYR N 109.00 157.00 135.31 125.02 150.20 . . 0 "[ . 1 . 2 . 3 . 4]"
77 . 1 68 TRP C 1 69 TYR N 1 69 TYR CA 1 69 TYR C -151.30 -110.30 -116.66 -116.59 -120.56 0.01 14 0 "[ . 1 . 2 . 3 . 4]"
78 . 1 69 TYR N 1 69 TYR CA 1 69 TYR C 1 70 PHE N 124.80 -179.00 149.65 134.25 172.95 . . 0 "[ . 1 . 2 . 3 . 4]"
79 . 1 69 TYR C 1 70 PHE N 1 70 PHE CA 1 70 PHE C -144.90 -78.30 -96.96 -91.00 -92.58 . . 0 "[ . 1 . 2 . 3 . 4]"
80 . 1 70 PHE N 1 70 PHE CA 1 70 PHE C 1 71 TYR N 85.80 146.60 136.08 129.97 139.97 . . 0 "[ . 1 . 2 . 3 . 4]"
81 . 1 70 PHE C 1 71 TYR N 1 71 TYR CA 1 71 TYR C -167.50 -65.30 -138.57 -137.92 -138.61 . . 0 "[ . 1 . 2 . 3 . 4]"
82 . 1 71 TYR N 1 71 TYR CA 1 71 TYR C 1 72 TYR N 99.90 -145.50 143.63 144.81 144.05 . . 0 "[ . 1 . 2 . 3 . 4]"
83 . 1 71 TYR C 1 72 TYR N 1 72 TYR CA 1 72 TYR C -109.90 -57.50 -79.32 -99.95 -66.08 . . 0 "[ . 1 . 2 . 3 . 4]"
84 . 1 72 TYR N 1 72 TYR CA 1 72 TYR C 1 73 LEU N 113.90 159.50 159.53 159.34 161.59 2.09 10 0 "[ . 1 . 2 . 3 . 4]"
85 . 1 72 TYR C 1 73 LEU N 1 73 LEU CA 1 73 LEU C -147.90 -15.70 -54.88 -59.62 -49.01 . . 0 "[ . 1 . 2 . 3 . 4]"
86 . 1 73 LEU N 1 73 LEU CA 1 73 LEU C 1 74 GLY N 114.60 151.00 129.20 128.80 128.17 . . 0 "[ . 1 . 2 . 3 . 4]"
87 . 1 74 GLY C 1 75 THR N 1 75 THR CA 1 75 THR C -177.60 -89.00 -93.08 -110.27 -88.90 0.10 6 0 "[ . 1 . 2 . 3 . 4]"
88 . 1 75 THR N 1 75 THR CA 1 75 THR C 1 76 GLY N 146.10 -178.10 146.49 142.24 154.96 3.86 27 0 "[ . 1 . 2 . 3 . 4]"
89 . 1 77 PRO C 1 78 GLU N 1 78 GLU CA 1 78 GLU C -138.10 -51.90 -112.35 -113.02 -113.81 0.02 13 0 "[ . 1 . 2 . 3 . 4]"
90 . 1 78 GLU N 1 78 GLU CA 1 78 GLU C 1 79 ALA N -51.80 60.20 27.52 36.64 35.81 . . 0 "[ . 1 . 2 . 3 . 4]"
91 . 1 78 GLU C 1 79 ALA N 1 79 ALA CA 1 79 ALA C -81.80 -40.00 -62.06 -64.95 -65.25 . . 0 "[ . 1 . 2 . 3 . 4]"
92 . 1 79 ALA N 1 79 ALA CA 1 79 ALA C 1 80 GLY N -55.60 -13.00 -45.89 -55.67 -29.10 0.07 7 0 "[ . 1 . 2 . 3 . 4]"
93 . 1 79 ALA C 1 80 GLY N 1 80 GLY CA 1 80 GLY C 54.10 140.30 57.26 54.21 62.30 . . 0 "[ . 1 . 2 . 3 . 4]"
94 . 1 80 GLY N 1 80 GLY CA 1 80 GLY C 1 81 LEU N -26.00 45.60 31.41 30.01 29.22 . . 0 "[ . 1 . 2 . 3 . 4]"
95 . 1 80 GLY C 1 81 LEU N 1 81 LEU CA 1 81 LEU C -136.50 -57.30 -114.49 -114.83 -116.83 . . 0 "[ . 1 . 2 . 3 . 4]"
96 . 1 81 LEU N 1 81 LEU CA 1 81 LEU C 1 82 PRO N 103.80 162.80 105.47 103.83 103.83 0.15 24 0 "[ . 1 . 2 . 3 . 4]"
97 . 1 82 PRO C 1 83 TYR N 1 83 TYR CA 1 83 TYR C -86.80 -48.20 -61.80 -63.49 -60.21 . . 0 "[ . 1 . 2 . 3 . 4]"
98 . 1 83 TYR N 1 83 TYR CA 1 83 TYR C 1 84 GLY N 119.90 164.50 131.84 128.47 134.00 . . 0 "[ . 1 . 2 . 3 . 4]"
99 . 1 83 TYR C 1 84 GLY N 1 84 GLY CA 1 84 GLY C 71.00 114.80 91.60 92.89 92.45 . . 0 "[ . 1 . 2 . 3 . 4]"
100 . 1 84 GLY N 1 84 GLY CA 1 84 GLY C 1 85 ALA N -32.90 10.90 -6.44 -5.71 -5.94 . . 0 "[ . 1 . 2 . 3 . 4]"
101 . 1 84 GLY C 1 85 ALA N 1 85 ALA CA 1 85 ALA C -112.20 -45.20 -65.11 -68.60 -61.73 . . 0 "[ . 1 . 2 . 3 . 4]"
102 . 1 85 ALA N 1 85 ALA CA 1 85 ALA C 1 86 ASN N 113.00 162.20 130.40 123.69 133.60 . . 0 "[ . 1 . 2 . 3 . 4]"
103 . 1 85 ALA C 1 86 ASN N 1 86 ASN CA 1 86 ASN C -129.20 -65.40 -76.98 -71.97 -73.98 . . 0 "[ . 1 . 2 . 3 . 4]"
104 . 1 86 ASN N 1 86 ASN CA 1 86 ASN C 1 87 LYS N 103.10 154.50 127.92 127.95 127.54 . . 0 "[ . 1 . 2 . 3 . 4]"
105 . 1 86 ASN C 1 87 LYS N 1 87 LYS CA 1 87 LYS C -156.20 -90.20 -155.92 -156.10 -156.12 0.06 21 0 "[ . 1 . 2 . 3 . 4]"
106 . 1 87 LYS N 1 87 LYS CA 1 87 LYS C 1 88 ASP N 114.80 160.40 152.33 152.68 152.15 . . 0 "[ . 1 . 2 . 3 . 4]"
107 . 1 87 LYS C 1 88 ASP N 1 88 ASP CA 1 88 ASP C -84.90 -34.10 -63.72 -71.13 -54.67 . . 0 "[ . 1 . 2 . 3 . 4]"
108 . 1 88 ASP N 1 88 ASP CA 1 88 ASP C 1 89 GLY N 110.10 153.50 130.49 134.95 134.05 . . 0 "[ . 1 . 2 . 3 . 4]"
109 . 1 89 GLY C 1 90 ILE N 1 90 ILE CA 1 90 ILE C -149.70 -66.10 -127.04 -131.66 -121.06 . . 0 "[ . 1 . 2 . 3 . 4]"
110 . 1 90 ILE N 1 90 ILE CA 1 90 ILE C 1 91 ILE N 100.10 176.50 127.43 125.44 124.21 . . 0 "[ . 1 . 2 . 3 . 4]"
111 . 1 90 ILE C 1 91 ILE N 1 91 ILE CA 1 91 ILE C -163.10 -82.50 -130.21 -135.59 -122.75 . . 0 "[ . 1 . 2 . 3 . 4]"
112 . 1 91 ILE N 1 91 ILE CA 1 91 ILE C 1 92 TRP N 106.10 -172.90 118.17 114.47 113.79 . . 0 "[ . 1 . 2 . 3 . 4]"
113 . 1 91 ILE C 1 92 TRP N 1 92 TRP CA 1 92 TRP C -134.80 -71.80 -83.94 -90.94 -77.36 . . 0 "[ . 1 . 2 . 3 . 4]"
114 . 1 92 TRP N 1 92 TRP CA 1 92 TRP C 1 93 VAL N 107.00 159.40 136.42 128.77 139.42 . . 0 "[ . 1 . 2 . 3 . 4]"
115 . 1 92 TRP C 1 93 VAL N 1 93 VAL CA 1 93 VAL C -152.60 -124.40 -138.39 -138.29 -138.86 . . 0 "[ . 1 . 2 . 3 . 4]"
116 . 1 93 VAL N 1 93 VAL CA 1 93 VAL C 1 94 ALA N 149.70 -179.10 151.63 149.66 156.04 0.04 19 0 "[ . 1 . 2 . 3 . 4]"
117 . 1 93 VAL C 1 94 ALA N 1 94 ALA CA 1 94 ALA C 177.80 -87.40 -159.06 -165.68 -154.92 . . 0 "[ . 1 . 2 . 3 . 4]"
118 . 1 94 ALA N 1 94 ALA CA 1 94 ALA C 1 95 THR N 106.60 166.60 165.99 161.12 166.64 0.04 13 0 "[ . 1 . 2 . 3 . 4]"
119 . 1 94 ALA C 1 95 THR N 1 95 THR CA 1 95 THR C -170.50 -45.90 -131.08 -140.20 -116.28 . . 0 "[ . 1 . 2 . 3 . 4]"
120 . 1 95 THR N 1 95 THR CA 1 95 THR C 1 96 GLU N 106.60 -178.80 173.43 164.63 -178.94 . . 0 "[ . 1 . 2 . 3 . 4]"
121 . 1 95 THR C 1 96 GLU N 1 96 GLU CA 1 96 GLU C -67.60 -41.80 -66.62 -66.71 -66.99 0.09 13 0 "[ . 1 . 2 . 3 . 4]"
122 . 1 96 GLU N 1 96 GLU CA 1 96 GLU C 1 97 GLY N 117.70 150.90 135.62 131.95 138.86 . . 0 "[ . 1 . 2 . 3 . 4]"
123 . 1 96 GLU C 1 97 GLY N 1 97 GLY CA 1 97 GLY C 77.00 106.00 94.21 93.81 93.19 . . 0 "[ . 1 . 2 . 3 . 4]"
124 . 1 97 GLY N 1 97 GLY CA 1 97 GLY C 1 98 ALA N -36.80 18.40 -9.97 -8.00 -8.29 . . 0 "[ . 1 . 2 . 3 . 4]"
125 . 1 100 ASN C 1 101 THR N 1 101 THR CA 1 101 THR C -146.50 -69.50 -138.67 -139.24 -140.10 . . 0 "[ . 1 . 2 . 3 . 4]"
126 . 1 101 THR N 1 101 THR CA 1 101 THR C 1 102 PRO N 69.30 -166.70 155.19 150.77 160.93 . . 0 "[ . 1 . 2 . 3 . 4]"
127 . 1 103 LYS C 1 104 ASP N 1 104 ASP CA 1 104 ASP C -76.70 -47.10 -57.04 -60.98 -63.12 . . 0 "[ . 1 . 2 . 3 . 4]"
128 . 1 104 ASP N 1 104 ASP CA 1 104 ASP C 1 105 HIS N -67.90 11.90 -32.76 -46.55 -11.34 . . 0 "[ . 1 . 2 . 3 . 4]"
129 . 1 104 ASP C 1 105 HIS N 1 105 HIS CA 1 105 HIS C -86.50 -54.70 -62.36 -72.93 -55.87 . . 0 "[ . 1 . 2 . 3 . 4]"
130 . 1 105 HIS N 1 105 HIS CA 1 105 HIS C 1 106 ILE N -65.50 10.30 -12.67 -12.59 -13.42 . . 0 "[ . 1 . 2 . 3 . 4]"
131 . 1 105 HIS C 1 106 ILE N 1 106 ILE CA 1 106 ILE C -96.30 -44.30 -91.39 -96.35 -71.45 0.05 3 0 "[ . 1 . 2 . 3 . 4]"
132 . 1 106 ILE N 1 106 ILE CA 1 106 ILE C 1 107 GLY N -68.00 -6.80 -37.36 -33.39 -36.14 . . 0 "[ . 1 . 2 . 3 . 4]"
133 . 1 106 ILE C 1 107 GLY N 1 107 GLY CA 1 107 GLY C -92.20 -50.80 -73.95 -72.97 -73.46 . . 0 "[ . 1 . 2 . 3 . 4]"
134 . 1 107 GLY N 1 107 GLY CA 1 107 GLY C 1 108 THR N -51.50 14.70 10.06 -3.39 14.80 0.10 35 0 "[ . 1 . 2 . 3 . 4]"
135 . 1 107 GLY C 1 108 THR N 1 108 THR CA 1 108 THR C -120.70 -83.10 -87.19 -107.33 -83.03 0.07 8 0 "[ . 1 . 2 . 3 . 4]"
136 . 1 108 THR N 1 108 THR CA 1 108 THR C 1 109 ARG N -28.10 33.30 20.82 21.06 19.88 . . 0 "[ . 1 . 2 . 3 . 4]"
137 . 1 109 ARG C 1 110 ASN N 1 110 ASN CA 1 110 ASN C -126.70 -48.90 -98.21 -91.12 -93.56 . . 0 "[ . 1 . 2 . 3 . 4]"
138 . 1 110 ASN N 1 110 ASN CA 1 110 ASN C 1 111 PRO N 86.50 -179.90 125.06 115.10 137.62 . . 0 "[ . 1 . 2 . 3 . 4]"
139 . 1 111 PRO C 1 112 ALA N 1 112 ALA CA 1 112 ALA C -81.60 -51.00 -76.95 -77.42 -77.76 . . 0 "[ . 1 . 2 . 3 . 4]"
140 . 1 112 ALA N 1 112 ALA CA 1 112 ALA C 1 113 ASN N -53.20 -3.40 -25.73 -29.26 -24.09 . . 0 "[ . 1 . 2 . 3 . 4]"
141 . 1 112 ALA C 1 113 ASN N 1 113 ASN CA 1 113 ASN C -128.30 -68.50 -101.58 -102.86 -103.49 . . 0 "[ . 1 . 2 . 3 . 4]"
142 . 1 113 ASN N 1 113 ASN CA 1 113 ASN C 1 114 ASN N -43.30 26.10 -25.01 -25.07 -25.41 . . 0 "[ . 1 . 2 . 3 . 4]"
143 . 1 114 ASN C 1 115 ALA N 1 115 ALA CA 1 115 ALA C -155.10 -32.90 -90.31 -90.44 -91.52 . . 0 "[ . 1 . 2 . 3 . 4]"
144 . 1 115 ALA N 1 115 ALA CA 1 115 ALA C 1 116 ALA N 90.70 -175.10 145.55 145.29 144.45 . . 0 "[ . 1 . 2 . 3 . 4]"
145 . 1 115 ALA C 1 116 ALA N 1 116 ALA CA 1 116 ALA C -123.10 -51.50 -69.72 -75.01 -62.16 . . 0 "[ . 1 . 2 . 3 . 4]"
146 . 1 116 ALA N 1 116 ALA CA 1 116 ALA C 1 117 ILE N 91.30 164.90 147.30 149.06 148.60 . . 0 "[ . 1 . 2 . 3 . 4]"
147 . 1 116 ALA C 1 117 ILE N 1 117 ILE CA 1 117 ILE C -142.70 -74.50 -86.08 -96.76 -76.90 . . 0 "[ . 1 . 2 . 3 . 4]"
148 . 1 117 ILE N 1 117 ILE CA 1 117 ILE C 1 118 VAL N 103.50 144.10 138.71 139.26 139.06 0.01 19 0 "[ . 1 . 2 . 3 . 4]"
149 . 1 117 ILE C 1 118 VAL N 1 118 VAL CA 1 118 VAL C -142.50 -29.50 -61.37 -60.80 -60.91 . . 0 "[ . 1 . 2 . 3 . 4]"
150 . 1 118 VAL N 1 118 VAL CA 1 118 VAL C 1 119 LEU N 91.00 144.60 123.63 123.90 123.79 . . 0 "[ . 1 . 2 . 3 . 4]"
151 . 1 118 VAL C 1 119 LEU N 1 119 LEU CA 1 119 LEU C -116.50 -52.30 -67.22 -67.40 -67.55 . . 0 "[ . 1 . 2 . 3 . 4]"
152 . 1 119 LEU N 1 119 LEU CA 1 119 LEU C 1 120 GLN N 97.00 138.60 129.03 130.11 129.62 . . 0 "[ . 1 . 2 . 3 . 4]"
153 . 1 119 LEU C 1 120 GLN N 1 120 GLN CA 1 120 GLN C -152.20 -97.80 -132.44 -134.48 -134.79 . . 0 "[ . 1 . 2 . 3 . 4]"
154 . 1 120 GLN N 1 120 GLN CA 1 120 GLN C 1 121 LEU N 119.90 171.10 157.12 158.10 157.94 . . 0 "[ . 1 . 2 . 3 . 4]"
155 . 1 120 GLN C 1 121 LEU N 1 121 LEU CA 1 121 LEU C -164.40 -45.20 -112.80 -112.49 -112.88 . . 0 "[ . 1 . 2 . 3 . 4]"
156 . 1 121 LEU N 1 121 LEU CA 1 121 LEU C 1 122 PRO N 38.30 174.30 148.01 145.55 150.38 . . 0 "[ . 1 . 2 . 3 . 4]"
157 . 1 122 PRO C 1 123 GLN N 1 123 GLN CA 1 123 GLN C -77.60 -40.20 -54.56 -54.70 -54.86 . . 0 "[ . 1 . 2 . 3 . 4]"
158 . 1 123 GLN N 1 123 GLN CA 1 123 GLN C 1 124 GLY N 124.40 149.60 131.70 128.83 137.07 . . 0 "[ . 1 . 2 . 3 . 4]"
159 . 1 123 GLN C 1 124 GLY N 1 124 GLY CA 1 124 GLY C 75.70 108.90 97.10 89.82 89.66 . . 0 "[ . 1 . 2 . 3 . 4]"
160 . 1 124 GLY N 1 124 GLY CA 1 124 GLY C 1 125 THR N -34.50 17.90 -19.24 -12.21 -13.24 . . 0 "[ . 1 . 2 . 3 . 4]"
161 . 1 124 GLY C 1 125 THR N 1 125 THR CA 1 125 THR C -108.70 -40.70 -106.78 -108.74 -100.04 0.04 18 0 "[ . 1 . 2 . 3 . 4]"
162 . 1 125 THR N 1 125 THR CA 1 125 THR C 1 126 THR N 103.80 159.60 128.16 125.63 132.28 . . 0 "[ . 1 . 2 . 3 . 4]"
163 . 1 125 THR C 1 126 THR N 1 126 THR CA 1 126 THR C -145.00 -70.20 -121.41 -118.51 -119.69 . . 0 "[ . 1 . 2 . 3 . 4]"
164 . 1 126 THR N 1 126 THR CA 1 126 THR C 1 127 LEU N 103.90 148.30 148.91 148.33 148.32 4.69 28 0 "[ . 1 . 2 . 3 . 4]"
165 . 1 126 THR C 1 127 LEU N 1 127 LEU CA 1 127 LEU C -134.10 -43.50 -70.31 -78.67 -66.41 . . 0 "[ . 1 . 2 . 3 . 4]"
166 . 1 127 LEU N 1 127 LEU CA 1 127 LEU C 1 128 PRO N 79.90 163.50 153.83 150.52 157.80 . . 0 "[ . 1 . 2 . 3 . 4]"
167 . 1 128 PRO C 1 129 LYS N 1 129 LYS CA 1 129 LYS C -86.00 -38.40 -59.42 -59.04 -59.44 . . 0 "[ . 1 . 2 . 3 . 4]"
168 . 1 129 LYS N 1 129 LYS CA 1 129 LYS C 1 130 GLY N 120.60 152.40 127.28 130.88 130.72 . . 0 "[ . 1 . 2 . 3 . 4]"
169 . 1 129 LYS C 1 130 GLY N 1 130 GLY CA 1 130 GLY C 55.80 95.20 91.47 95.10 95.08 0.09 11 0 "[ . 1 . 2 . 3 . 4]"
170 . 1 130 GLY N 1 130 GLY CA 1 130 GLY C 1 131 PHE N -27.00 46.00 7.30 -10.64 45.90 . . 0 "[ . 1 . 2 . 3 . 4]"
171 . 1 131 PHE C 1 132 TYR N 1 132 TYR CA 1 132 TYR C -163.60 -98.00 -145.65 -142.32 -142.53 . . 0 "[ . 1 . 2 . 3 . 4]"
172 . 1 132 TYR N 1 132 TYR CA 1 132 TYR C 1 133 ALA N 119.80 170.40 162.95 162.38 161.97 . . 0 "[ . 1 . 2 . 3 . 4]"
173 . 1 132 TYR C 1 133 ALA N 1 133 ALA CA 1 133 ALA C -148.60 -50.60 -103.11 -111.35 -89.18 . . 0 "[ . 1 . 2 . 3 . 4]"
174 . 1 133 ALA N 1 133 ALA CA 1 133 ALA C 1 134 GLU N 96.80 153.60 145.12 136.53 153.54 . . 0 "[ . 1 . 2 . 3 . 4]"
175 . 1 133 ALA C 1 134 GLU N 1 134 GLU CA 1 134 GLU C -115.00 -20.40 -72.47 -72.81 -73.17 . . 0 "[ . 1 . 2 . 3 . 4]"
176 . 1 134 GLU N 1 134 GLU CA 1 134 GLU C 1 135 GLY N 111.40 169.00 135.26 128.93 127.83 . . 0 "[ . 1 . 2 . 3 . 4]"
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