NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484110 |
2fwu   |
7008 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2fwu
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 185
_TA_constraint_stats_list.Viol_count 172
_TA_constraint_stats_list.Viol_total 96350.18
_TA_constraint_stats_list.Viol_max 113.67
_TA_constraint_stats_list.Viol_rms 10.22
_TA_constraint_stats_list.Viol_average_all_restraints 1.30
_TA_constraint_stats_list.Viol_average_violations_only 28.01
_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 3 GLY C 1 4 ILE N 1 4 ILE CA 1 4 ILE C -164.75 -30.95 -113.91 -119.57 -122.27 . . 0 "[ . 1 . 2]"
2 . 1 4 ILE N 1 4 ILE CA 1 4 ILE C 1 5 PHE N 83.55 -170.65 109.91 111.39 105.81 . . 0 "[ . 1 . 2]"
3 . 1 4 ILE C 1 5 PHE N 1 5 PHE CA 1 5 PHE C -143.40 -59.80 -120.11 -134.86 -103.16 . . 0 "[ . 1 . 2]"
4 . 1 5 PHE N 1 5 PHE CA 1 5 PHE C 1 6 THR N 64.10 -144.30 116.05 112.42 110.52 . . 0 "[ . 1 . 2]"
5 . 1 5 PHE C 1 6 THR N 1 6 THR CA 1 6 THR C -163.90 -83.90 -147.33 -155.71 -134.99 . . 0 "[ . 1 . 2]"
6 . 1 6 THR N 1 6 THR CA 1 6 THR C 1 7 PHE N 53.40 -132.20 162.81 162.66 160.81 . . 0 "[ . 1 . 2]"
7 . 1 6 THR C 1 7 PHE N 1 7 PHE CA 1 7 PHE C 140.00 180.00 -89.09 -99.66 -81.19 98.81 12 20 [*-*********+********]
8 . 1 7 PHE C 1 8 GLU N 1 8 GLU CA 1 8 GLU C -170.00 30.00 -86.77 -104.10 -65.28 . . 0 "[ . 1 . 2]"
9 . 1 8 GLU N 1 8 GLU CA 1 8 GLU C 1 9 GLU N -150.00 50.00 -33.11 -27.93 -29.74 . . 0 "[ . 1 . 2]"
10 . 1 8 GLU C 1 9 GLU N 1 9 GLU CA 1 9 GLU C 100.00 -20.00 -117.43 -116.66 -123.93 . . 0 "[ . 1 . 2]"
11 . 1 9 GLU N 1 9 GLU CA 1 9 GLU C 1 10 PRO N -34.30 -55.90 128.26 118.84 137.06 . . 0 "[ . 1 . 2]"
12 . 1 10 PRO C 1 11 VAL N 1 11 VAL CA 1 11 VAL C -179.10 -77.90 -141.63 -149.32 -133.82 . . 0 "[ . 1 . 2]"
13 . 1 11 VAL N 1 11 VAL CA 1 11 VAL C 1 12 THR N 105.50 -168.10 135.23 134.71 133.85 . . 0 "[ . 1 . 2]"
14 . 1 11 VAL C 1 12 THR N 1 12 THR CA 1 12 THR C 177.85 -53.15 -137.05 -143.60 -128.20 . . 0 "[ . 1 . 2]"
15 . 1 12 THR N 1 12 THR CA 1 12 THR C 1 13 HIS N 101.30 164.10 140.53 142.94 141.71 . . 0 "[ . 1 . 2]"
16 . 1 12 THR C 1 13 HIS N 1 13 HIS CA 1 13 HIS C -154.95 -53.95 -109.12 -117.30 -88.41 . . 0 "[ . 1 . 2]"
17 . 1 13 HIS N 1 13 HIS CA 1 13 HIS C 1 14 VAL N 82.95 -174.45 127.16 130.04 128.61 . . 0 "[ . 1 . 2]"
18 . 1 13 HIS C 1 14 VAL N 1 14 VAL CA 1 14 VAL C -168.95 -104.75 -123.61 -132.33 -109.18 . . 0 "[ . 1 . 2]"
19 . 1 14 VAL N 1 14 VAL CA 1 14 VAL C 1 15 SER N 99.90 -158.10 157.80 158.94 157.55 . . 0 "[ . 1 . 2]"
20 . 1 14 VAL C 1 15 SER N 1 15 SER CA 1 15 SER C 143.00 14.60 -80.07 -78.03 -81.20 . . 0 "[ . 1 . 2]"
21 . 1 15 SER N 1 15 SER CA 1 15 SER C 1 16 GLU N 52.10 -156.30 150.61 133.12 167.80 . . 0 "[ . 1 . 2]"
22 . 1 15 SER C 1 16 GLU N 1 16 GLU CA 1 16 GLU C -100.35 -22.15 -81.05 -99.30 -68.31 . . 0 "[ . 1 . 2]"
23 . 1 16 GLU N 1 16 GLU CA 1 16 GLU C 1 17 SER N -58.25 -7.65 -16.63 -48.38 -6.77 0.88 18 0 "[ . 1 . 2]"
24 . 1 17 SER C 1 18 ILE N 1 18 ILE CA 1 18 ILE C -169.70 -6.50 -101.37 -145.30 -78.52 . . 0 "[ . 1 . 2]"
25 . 1 18 ILE N 1 18 ILE CA 1 18 ILE C 1 19 GLY N 82.75 -151.05 155.02 149.71 161.47 . . 0 "[ . 1 . 2]"
26 . 1 19 GLY C 1 20 ILE N 1 20 ILE CA 1 20 ILE C -175.50 -67.10 -120.05 -132.72 -107.68 . . 0 "[ . 1 . 2]"
27 . 1 20 ILE N 1 20 ILE CA 1 20 ILE C 1 21 MET N 102.80 165.20 126.78 114.04 136.65 . . 0 "[ . 1 . 2]"
28 . 1 20 ILE C 1 21 MET N 1 21 MET CA 1 21 MET C 156.30 -45.70 -104.43 -102.95 -103.86 . . 0 "[ . 1 . 2]"
29 . 1 21 MET N 1 21 MET CA 1 21 MET C 1 22 GLU N 51.75 -139.65 136.51 128.66 142.96 . . 0 "[ . 1 . 2]"
30 . 1 21 MET C 1 22 GLU N 1 22 GLU CA 1 22 GLU C -178.15 -47.55 -119.21 -121.49 -123.76 . . 0 "[ . 1 . 2]"
31 . 1 22 GLU N 1 22 GLU CA 1 22 GLU C 1 23 VAL N 83.50 -162.50 131.54 97.37 155.67 . . 0 "[ . 1 . 2]"
32 . 1 22 GLU C 1 23 VAL N 1 23 VAL CA 1 23 VAL C -179.60 -64.40 -115.91 -121.10 -122.99 . . 0 "[ . 1 . 2]"
33 . 1 23 VAL N 1 23 VAL CA 1 23 VAL C 1 24 LYS N 80.65 -177.95 132.26 138.09 137.45 . . 0 "[ . 1 . 2]"
34 . 1 23 VAL C 1 24 LYS N 1 24 LYS CA 1 24 LYS C 170.75 2.15 -82.70 -91.91 -73.87 . . 0 "[ . 1 . 2]"
35 . 1 24 LYS N 1 24 LYS CA 1 24 LYS C 1 25 VAL N 87.75 174.35 132.76 116.07 163.04 . . 0 "[ . 1 . 2]"
36 . 1 26 LEU C 1 27 ARG N 1 27 ARG CA 1 27 ARG C 154.60 -22.60 -90.42 -91.03 -92.79 . . 0 "[ . 1 . 2]"
37 . 1 27 ARG N 1 27 ARG CA 1 27 ARG C 1 28 THR N 94.70 -168.10 149.89 160.16 158.81 0.92 8 0 "[ . 1 . 2]"
38 . 1 27 ARG C 1 28 THR N 1 28 THR CA 1 28 THR C -123.85 -51.25 -66.82 -121.55 -50.12 1.13 6 0 "[ . 1 . 2]"
39 . 1 28 THR N 1 28 THR CA 1 28 THR C 1 29 SER N 93.30 -129.50 153.52 146.48 145.82 . . 0 "[ . 1 . 2]"
40 . 1 28 THR C 1 29 SER N 1 29 SER CA 1 29 SER C -170.00 30.00 -68.79 -65.07 -69.99 5.01 8 1 "[ . + 1 . 2]"
41 . 1 29 SER N 1 29 SER CA 1 29 SER C 1 30 GLY N -150.00 50.00 -26.63 -55.11 32.62 . . 0 "[ . 1 . 2]"
42 . 1 30 GLY C 1 31 ALA N 1 31 ALA CA 1 31 ALA C 177.25 -42.15 -108.08 -165.06 -70.14 . . 0 "[ . 1 . 2]"
43 . 1 31 ALA N 1 31 ALA CA 1 31 ALA C 1 32 ARG N 66.00 -127.20 96.98 107.80 100.66 1.76 8 0 "[ . 1 . 2]"
44 . 1 33 GLY C 1 34 ASN N 1 34 ASN CA 1 34 ASN C -161.45 -48.85 -111.68 -146.14 -79.72 . . 0 "[ . 1 . 2]"
45 . 1 34 ASN N 1 34 ASN CA 1 34 ASN C 1 35 VAL N 60.25 -155.15 126.92 130.58 127.60 . . 0 "[ . 1 . 2]"
46 . 1 34 ASN C 1 35 VAL N 1 35 VAL CA 1 35 VAL C -163.05 -90.85 -125.89 -133.06 -119.10 . . 0 "[ . 1 . 2]"
47 . 1 35 VAL N 1 35 VAL CA 1 35 VAL C 1 36 ILE N 92.50 174.10 131.32 122.97 139.48 . . 0 "[ . 1 . 2]"
48 . 1 35 VAL C 1 36 ILE N 1 36 ILE CA 1 36 ILE C -171.95 -44.55 -100.52 -100.57 -101.18 . . 0 "[ . 1 . 2]"
49 . 1 36 ILE N 1 36 ILE CA 1 36 ILE C 1 37 VAL N 93.25 171.05 129.57 120.53 139.18 . . 0 "[ . 1 . 2]"
50 . 1 36 ILE C 1 37 VAL N 1 37 VAL CA 1 37 VAL C -176.10 -72.10 -117.59 -120.15 -122.15 . . 0 "[ . 1 . 2]"
51 . 1 37 VAL N 1 37 VAL CA 1 37 VAL C 1 38 PRO N 74.10 -164.30 107.17 106.83 106.24 . . 0 "[ . 1 . 2]"
52 . 1 38 PRO C 1 39 TYR N 1 39 TYR CA 1 39 TYR C -178.30 -91.90 -146.53 -154.90 -130.68 . . 0 "[ . 1 . 2]"
53 . 1 39 TYR N 1 39 TYR CA 1 39 TYR C 1 40 LYS N 127.85 -158.75 160.19 159.50 157.88 . . 0 "[ . 1 . 2]"
54 . 1 39 TYR C 1 40 LYS N 1 40 LYS CA 1 40 LYS C -179.65 -87.45 -155.78 -161.35 -149.52 . . 0 "[ . 1 . 2]"
55 . 1 40 LYS N 1 40 LYS CA 1 40 LYS C 1 41 THR N 107.70 -165.10 153.77 145.65 160.58 . . 0 "[ . 1 . 2]"
56 . 1 40 LYS C 1 41 THR N 1 41 THR CA 1 41 THR C 158.05 -37.75 -91.27 -93.71 -95.09 . . 0 "[ . 1 . 2]"
57 . 1 41 THR N 1 41 THR CA 1 41 THR C 1 42 ILE N 93.25 -154.55 120.59 127.03 125.14 . . 0 "[ . 1 . 2]"
58 . 1 41 THR C 1 42 ILE N 1 42 ILE CA 1 42 ILE C 124.85 -20.15 -88.19 -99.22 -77.57 . . 0 "[ . 1 . 2]"
59 . 1 42 ILE N 1 42 ILE CA 1 42 ILE C 1 43 GLU N 72.85 -144.15 119.91 116.99 115.62 . . 0 "[ . 1 . 2]"
60 . 1 42 ILE C 1 43 GLU N 1 43 GLU CA 1 43 GLU C -170.00 30.00 -54.80 -63.75 -48.15 . . 0 "[ . 1 . 2]"
61 . 1 43 GLU N 1 43 GLU CA 1 43 GLU C 1 44 GLY N -150.00 50.00 -48.66 -62.94 -36.64 . . 0 "[ . 1 . 2]"
62 . 1 46 ALA C 1 47 ARG N 1 47 ARG CA 1 47 ARG C -158.30 -45.90 -103.56 -115.65 -126.67 . . 0 "[ . 1 . 2]"
63 . 1 47 ARG N 1 47 ARG CA 1 47 ARG C 1 48 GLY N 93.65 173.05 135.60 128.78 125.43 4.24 16 0 "[ . 1 . 2]"
64 . 1 50 GLY C 1 51 GLU N 1 51 GLU CA 1 51 GLU C -139.80 -1.40 -88.63 -76.18 -78.76 . . 0 "[ . 1 . 2]"
65 . 1 51 GLU N 1 51 GLU CA 1 51 GLU C 1 52 ASP N -69.85 15.15 -65.82 -43.94 -61.45 1.98 9 0 "[ . 1 . 2]"
66 . 1 51 GLU C 1 52 ASP N 1 52 ASP CA 1 52 ASP C 175.25 -6.95 -106.19 -135.89 -94.22 . . 0 "[ . 1 . 2]"
67 . 1 52 ASP N 1 52 ASP CA 1 52 ASP C 1 53 PHE N -104.95 89.65 -32.66 -30.05 -34.05 . . 0 "[ . 1 . 2]"
68 . 1 52 ASP C 1 53 PHE N 1 53 PHE CA 1 53 PHE C 166.25 1.65 -144.94 -145.04 -145.54 . . 0 "[ . 1 . 2]"
69 . 1 53 PHE N 1 53 PHE CA 1 53 PHE C 1 54 GLU N 71.50 -130.90 158.96 151.94 166.27 . . 0 "[ . 1 . 2]"
70 . 1 54 GLU C 1 55 ASP N 1 55 ASP CA 1 55 ASP C -170.05 21.35 -74.37 -86.19 -54.78 . . 0 "[ . 1 . 2]"
71 . 1 55 ASP N 1 55 ASP CA 1 55 ASP C 1 56 THR N 71.40 -156.20 116.45 99.03 149.53 . . 0 "[ . 1 . 2]"
72 . 1 55 ASP C 1 56 THR N 1 56 THR CA 1 56 THR C -157.55 -40.55 -113.22 -111.51 -115.99 . . 0 "[ . 1 . 2]"
73 . 1 56 THR N 1 56 THR CA 1 56 THR C 1 57 CYS N 96.30 169.90 116.12 95.88 142.22 0.42 8 0 "[ . 1 . 2]"
74 . 1 58 GLY C 1 59 GLU N 1 59 GLU CA 1 59 GLU C 144.50 -17.90 -137.04 -143.54 -126.73 . . 0 "[ . 1 . 2]"
75 . 1 59 GLU N 1 59 GLU CA 1 59 GLU C 1 60 LEU N 60.30 -136.90 129.75 106.60 142.96 . . 0 "[ . 1 . 2]"
76 . 1 59 GLU C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -179.05 -50.45 -90.13 -91.17 -92.99 . . 0 "[ . 1 . 2]"
77 . 1 60 LEU N 1 60 LEU CA 1 60 LEU C 1 61 GLU N 85.70 176.10 138.52 132.77 123.16 . . 0 "[ . 1 . 2]"
78 . 1 60 LEU C 1 61 GLU N 1 61 GLU CA 1 61 GLU C 124.80 6.00 -103.17 -123.37 -93.22 . . 0 "[ . 1 . 2]"
79 . 1 61 GLU N 1 61 GLU CA 1 61 GLU C 1 62 PHE N 72.15 -174.85 110.50 97.03 123.59 . . 0 "[ . 1 . 2]"
80 . 1 61 GLU C 1 62 PHE N 1 62 PHE CA 1 62 PHE C -160.85 -59.85 -108.41 -102.05 -103.99 . . 0 "[ . 1 . 2]"
81 . 1 62 PHE N 1 62 PHE CA 1 62 PHE C 1 63 GLN N 67.35 -174.45 142.19 108.27 158.82 . . 0 "[ . 1 . 2]"
82 . 1 62 PHE C 1 63 GLN N 1 63 GLN CA 1 63 GLN C 166.25 -3.15 -136.74 -121.96 -127.87 . . 0 "[ . 1 . 2]"
83 . 1 63 GLN N 1 63 GLN CA 1 63 GLN C 1 64 ASN N 33.95 -104.65 177.93 160.81 -167.88 . . 0 "[ . 1 . 2]"
84 . 1 63 GLN C 1 64 ASN N 1 64 ASN CA 1 64 ASN C -78.30 -38.30 -68.30 -69.93 -73.73 0.70 14 0 "[ . 1 . 2]"
85 . 1 64 ASN N 1 64 ASN CA 1 64 ASN C 1 65 ASP N -65.75 -4.35 -34.25 -33.46 -34.71 . . 0 "[ . 1 . 2]"
86 . 1 64 ASN C 1 65 ASP N 1 65 ASP CA 1 65 ASP C -113.80 -18.60 -90.69 -102.72 -77.74 . . 0 "[ . 1 . 2]"
87 . 1 65 ASP N 1 65 ASP CA 1 65 ASP C 1 66 GLU N -76.00 4.00 -22.15 -17.26 -22.84 1.04 11 0 "[ . 1 . 2]"
88 . 1 66 GLU C 1 67 ILE N 1 67 ILE CA 1 67 ILE C 132.70 -8.10 -115.32 -135.27 -102.36 . . 0 "[ . 1 . 2]"
89 . 1 67 ILE N 1 67 ILE CA 1 67 ILE C 1 68 VAL N 108.95 -173.65 161.45 164.20 163.39 2.98 12 0 "[ . 1 . 2]"
90 . 1 68 VAL C 1 69 LYS N 1 69 LYS CA 1 69 LYS C 171.40 -87.00 -146.40 -153.23 -156.25 . . 0 "[ . 1 . 2]"
91 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 THR N 113.10 -155.70 160.96 162.54 160.81 . . 0 "[ . 1 . 2]"
92 . 1 69 LYS C 1 70 THR N 1 70 THR CA 1 70 THR C 148.70 -30.50 -132.68 -138.57 -122.53 . . 0 "[ . 1 . 2]"
93 . 1 70 THR N 1 70 THR CA 1 70 THR C 1 71 ILE N 59.85 -133.15 132.12 119.30 142.85 . . 0 "[ . 1 . 2]"
94 . 1 70 THR C 1 71 ILE N 1 71 ILE CA 1 71 ILE C 167.85 -63.55 -88.20 -86.92 -88.29 . . 0 "[ . 1 . 2]"
95 . 1 71 ILE N 1 71 ILE CA 1 71 ILE C 1 72 SER N 77.95 -173.05 115.14 120.88 118.37 . . 0 "[ . 1 . 2]"
96 . 1 71 ILE C 1 72 SER N 1 72 SER CA 1 72 SER C -167.30 -44.10 -95.89 -107.36 -84.27 . . 0 "[ . 1 . 2]"
97 . 1 72 SER N 1 72 SER CA 1 72 SER C 1 73 VAL N 109.90 173.50 113.05 109.08 125.08 0.82 2 0 "[ . 1 . 2]"
98 . 1 72 SER C 1 73 VAL N 1 73 VAL CA 1 73 VAL C 175.55 -72.25 -116.57 -114.39 -115.54 . . 0 "[ . 1 . 2]"
99 . 1 73 VAL N 1 73 VAL CA 1 73 VAL C 1 74 LYS N 84.20 -176.60 131.86 120.07 139.45 . . 0 "[ . 1 . 2]"
100 . 1 73 VAL C 1 74 LYS N 1 74 LYS CA 1 74 LYS C -115.20 -48.00 -88.24 -83.40 -84.81 . . 0 "[ . 1 . 2]"
101 . 1 74 LYS N 1 74 LYS CA 1 74 LYS C 1 75 VAL N 79.20 175.60 120.94 103.49 132.25 . . 0 "[ . 1 . 2]"
102 . 1 74 LYS C 1 75 VAL N 1 75 VAL CA 1 75 VAL C 162.85 -33.35 -90.39 -87.24 -89.44 . . 0 "[ . 1 . 2]"
103 . 1 75 VAL N 1 75 VAL CA 1 75 VAL C 1 76 ILE N 89.30 159.30 133.58 117.66 143.74 . . 0 "[ . 1 . 2]"
104 . 1 75 VAL C 1 76 ILE N 1 76 ILE CA 1 76 ILE C -151.45 -60.05 -97.97 -98.64 -101.03 . . 0 "[ . 1 . 2]"
105 . 1 76 ILE N 1 76 ILE CA 1 76 ILE C 1 77 ASP N 87.30 160.10 152.89 131.09 161.12 1.02 1 0 "[ . 1 . 2]"
106 . 1 76 ILE C 1 77 ASP N 1 77 ASP CA 1 77 ASP C 177.80 -26.60 -65.88 -72.36 -76.91 . . 0 "[ . 1 . 2]"
107 . 1 77 ASP N 1 77 ASP CA 1 77 ASP C 1 78 ASP N 57.90 -172.90 124.46 86.78 147.73 . . 0 "[ . 1 . 2]"
108 . 1 77 ASP C 1 78 ASP N 1 78 ASP CA 1 78 ASP C 103.25 39.05 -65.15 -90.69 -40.60 . . 0 "[ . 1 . 2]"
109 . 1 78 ASP N 1 78 ASP CA 1 78 ASP C 1 79 GLU N 66.45 -138.55 135.25 -177.74 158.97 . . 0 "[ . 1 . 2]"
110 . 1 79 GLU C 1 80 GLU N 1 80 GLU CA 1 80 GLU C 100.00 -20.00 -119.76 -99.77 -103.81 . . 0 "[ . 1 . 2]"
111 . 1 80 GLU N 1 80 GLU CA 1 80 GLU C 1 81 TYR N -50.00 -50.00 -164.40 166.76 -60.38 . . 0 "[ . 1 . 2]"
112 . 1 80 GLU C 1 81 TYR N 1 81 TYR CA 1 81 TYR C -163.40 -8.60 -81.36 -113.51 -141.47 0.98 6 0 "[ . 1 . 2]"
113 . 1 81 TYR N 1 81 TYR CA 1 81 TYR C 1 82 GLU N 101.95 152.15 152.28 145.14 154.37 2.22 7 0 "[ . 1 . 2]"
114 . 1 81 TYR C 1 82 GLU N 1 82 GLU CA 1 82 GLU C 142.95 -41.25 -116.25 -148.79 -84.25 . . 0 "[ . 1 . 2]"
115 . 1 82 GLU N 1 82 GLU CA 1 82 GLU C 1 83 LYS N 102.05 -128.15 140.65 152.26 143.81 0.50 7 0 "[ . 1 . 2]"
116 . 1 84 ASN C 1 85 LYS N 1 85 LYS CA 1 85 LYS C 117.95 6.55 -103.89 -115.38 -121.66 . . 0 "[ . 1 . 2]"
117 . 1 85 LYS N 1 85 LYS CA 1 85 LYS C 1 86 THR N 108.45 -164.15 146.66 109.23 173.67 . . 0 "[ . 1 . 2]"
118 . 1 85 LYS C 1 86 THR N 1 86 THR CA 1 86 THR C 171.50 -56.50 -150.90 -156.22 -142.39 . . 0 "[ . 1 . 2]"
119 . 1 86 THR N 1 86 THR CA 1 86 THR C 1 87 PHE N 89.25 -153.35 146.86 148.96 147.20 . . 0 "[ . 1 . 2]"
120 . 1 86 THR C 1 87 PHE N 1 87 PHE CA 1 87 PHE C 124.85 -52.15 -125.32 -126.58 -128.84 . . 0 "[ . 1 . 2]"
121 . 1 87 PHE N 1 87 PHE CA 1 87 PHE C 1 88 PHE N 130.25 -165.15 149.49 142.15 160.02 . . 0 "[ . 1 . 2]"
122 . 1 87 PHE C 1 88 PHE N 1 88 PHE CA 1 88 PHE C 149.70 -53.10 -106.56 -100.95 -102.53 . . 0 "[ . 1 . 2]"
123 . 1 88 PHE N 1 88 PHE CA 1 88 PHE C 1 89 LEU N 97.05 -167.15 135.51 133.50 133.36 . . 0 "[ . 1 . 2]"
124 . 1 88 PHE C 1 89 LEU N 1 89 LEU CA 1 89 LEU C 157.55 -47.45 -105.78 -116.25 -97.83 . . 0 "[ . 1 . 2]"
125 . 1 89 LEU N 1 89 LEU CA 1 89 LEU C 1 90 GLU N 94.40 167.60 124.65 127.17 126.08 . . 0 "[ . 1 . 2]"
126 . 1 89 LEU C 1 90 GLU N 1 90 GLU CA 1 90 GLU C 171.50 -85.70 -131.32 -128.43 -129.60 . . 0 "[ . 1 . 2]"
127 . 1 90 GLU N 1 90 GLU CA 1 90 GLU C 1 91 ILE N 79.70 -135.10 135.45 123.09 151.18 . . 0 "[ . 1 . 2]"
128 . 1 90 GLU C 1 91 ILE N 1 91 ILE CA 1 91 ILE C 168.80 -54.00 -97.95 -99.36 -101.33 . . 0 "[ . 1 . 2]"
129 . 1 91 ILE N 1 91 ILE CA 1 91 ILE C 1 92 GLY N 89.85 -169.55 145.15 128.66 168.01 . . 0 "[ . 1 . 2]"
130 . 1 94 PRO C 1 95 ARG N 1 95 ARG CA 1 95 ARG C -179.30 -79.70 -127.34 -135.31 -136.70 . . 0 "[ . 1 . 2]"
131 . 1 95 ARG N 1 95 ARG CA 1 95 ARG C 1 96 LEU N 89.10 -148.10 132.79 118.15 151.41 . . 0 "[ . 1 . 2]"
132 . 1 95 ARG C 1 96 LEU N 1 96 LEU CA 1 96 LEU C 142.70 14.30 -79.31 -87.13 -69.96 . . 0 "[ . 1 . 2]"
133 . 1 96 LEU N 1 96 LEU CA 1 96 LEU C 1 97 VAL N 99.80 143.00 126.39 128.12 126.83 . . 0 "[ . 1 . 2]"
134 . 1 106 PHE C 1 107 THR N 1 107 THR CA 1 107 THR C -173.50 -20.30 -95.95 -145.95 -67.57 . . 0 "[ . 1 . 2]"
135 . 1 107 THR N 1 107 THR CA 1 107 THR C 1 108 ILE N 65.95 -172.65 140.22 159.94 154.40 . . 0 "[ . 1 . 2]"
136 . 1 115 LYS C 1 116 GLN N 1 116 GLN CA 1 116 GLN C -159.10 -9.10 -101.56 -139.30 -66.00 . . 0 "[ . 1 . 2]"
137 . 1 116 GLN N 1 116 GLN CA 1 116 GLN C 1 117 PRO N 32.40 -124.80 164.46 146.70 140.05 . . 0 "[ . 1 . 2]"
138 . 1 120 SER C 1 121 LYS N 1 121 LYS CA 1 121 LYS C 140.00 180.00 -76.70 -97.03 -103.64 113.67 11 20 [*****-****+*********]
139 . 1 121 LYS N 1 121 LYS CA 1 121 LYS C 1 122 GLU N -180.00 140.00 -23.86 -160.22 92.46 . . 0 "[ . 1 . 2]"
140 . 1 123 GLU C 1 124 GLU N 1 124 GLU CA 1 124 GLU C -124.10 -10.10 -70.81 -104.92 -39.63 . . 0 "[ . 1 . 2]"
141 . 1 124 GLU N 1 124 GLU CA 1 124 GLU C 1 125 GLU N -85.70 4.70 -33.97 -17.20 -21.39 . . 0 "[ . 1 . 2]"
142 . 1 124 GLU C 1 125 GLU N 1 125 GLU CA 1 125 GLU C -87.05 -45.65 -65.94 -61.53 -64.60 0.47 16 0 "[ . 1 . 2]"
143 . 1 125 GLU N 1 125 GLU CA 1 125 GLU C 1 126 ARG N -59.40 -19.40 -31.72 -44.12 -16.66 2.74 16 0 "[ . 1 . 2]"
144 . 1 125 GLU C 1 126 ARG N 1 126 ARG CA 1 126 ARG C -90.15 -38.75 -66.45 -80.82 -47.79 . . 0 "[ . 1 . 2]"
145 . 1 126 ARG N 1 126 ARG CA 1 126 ARG C 1 127 ARG N -66.40 -16.80 -37.38 -48.27 -22.30 . . 0 "[ . 1 . 2]"
146 . 1 126 ARG C 1 127 ARG N 1 127 ARG CA 1 127 ARG C -86.40 -46.40 -61.93 -74.89 -46.82 . . 0 "[ . 1 . 2]"
147 . 1 127 ARG N 1 127 ARG CA 1 127 ARG C 1 128 ILE N -72.05 8.15 -32.42 -26.59 -28.59 . . 0 "[ . 1 . 2]"
148 . 1 127 ARG C 1 128 ILE N 1 128 ILE CA 1 128 ILE C -113.05 -16.05 -67.28 -76.55 -57.24 . . 0 "[ . 1 . 2]"
149 . 1 128 ILE N 1 128 ILE CA 1 128 ILE C 1 129 ALA N -57.60 -17.60 -40.33 -41.76 -43.08 . . 0 "[ . 1 . 2]"
150 . 1 128 ILE C 1 129 ALA N 1 129 ALA CA 1 129 ALA C -114.75 -20.15 -70.22 -86.22 -59.50 . . 0 "[ . 1 . 2]"
151 . 1 129 ALA N 1 129 ALA CA 1 129 ALA C 1 130 GLU N -82.70 7.30 -36.86 -40.83 -44.57 . . 0 "[ . 1 . 2]"
152 . 1 129 ALA C 1 130 GLU N 1 130 GLU CA 1 130 GLU C -109.90 -26.30 -73.16 -87.40 -58.56 . . 0 "[ . 1 . 2]"
153 . 1 130 GLU N 1 130 GLU CA 1 130 GLU C 1 131 MET N -87.65 10.15 -7.47 -9.40 -17.71 2.54 2 0 "[ . 1 . 2]"
154 . 1 130 GLU C 1 131 MET N 1 131 MET CA 1 131 MET C -127.90 -22.30 -86.39 -107.53 -72.46 . . 0 "[ . 1 . 2]"
155 . 1 131 MET N 1 131 MET CA 1 131 MET C 1 132 GLY N -94.35 50.65 -18.70 -22.39 -27.04 . . 0 "[ . 1 . 2]"
156 . 1 131 MET C 1 132 GLY N 1 132 GLY CA 1 132 GLY C -100.00 -20.00 -92.26 -101.85 -72.30 1.85 18 0 "[ . 1 . 2]"
157 . 1 132 GLY C 1 133 ARG N 1 133 ARG CA 1 133 ARG C 178.90 8.50 -96.12 -102.34 -109.89 . . 0 "[ . 1 . 2]"
158 . 1 133 ARG N 1 133 ARG CA 1 133 ARG C 1 134 PRO N 62.05 -157.35 146.80 120.95 174.17 . . 0 "[ . 1 . 2]"
159 . 1 134 PRO C 1 135 ILE N 1 135 ILE CA 1 135 ILE C -168.90 -109.30 -129.27 -132.03 -135.10 . . 0 "[ . 1 . 2]"
160 . 1 135 ILE N 1 135 ILE CA 1 135 ILE C 1 136 LEU N 111.60 -157.20 179.70 161.28 -169.81 . . 0 "[ . 1 . 2]"
161 . 1 135 ILE C 1 136 LEU N 1 136 LEU CA 1 136 LEU C 170.35 -9.45 -79.36 -80.91 -82.67 . . 0 "[ . 1 . 2]"
162 . 1 136 LEU N 1 136 LEU CA 1 136 LEU C 1 137 GLY N 45.35 -148.85 159.39 146.09 -176.67 . . 0 "[ . 1 . 2]"
163 . 1 137 GLY C 1 138 GLU N 1 138 GLU CA 1 138 GLU C -170.00 30.00 -99.63 -72.10 -83.56 . . 0 "[ . 1 . 2]"
164 . 1 138 GLU N 1 138 GLU CA 1 138 GLU C 1 139 HIS N -150.00 50.00 -61.71 -59.94 -63.58 . . 0 "[ . 1 . 2]"
165 . 1 138 GLU C 1 139 HIS N 1 139 HIS CA 1 139 HIS C -179.75 -53.15 -128.23 -148.26 -107.02 . . 0 "[ . 1 . 2]"
166 . 1 139 HIS N 1 139 HIS CA 1 139 HIS C 1 140 THR N 94.25 -147.95 111.16 114.08 110.60 0.43 12 0 "[ . 1 . 2]"
167 . 1 139 HIS C 1 140 THR N 1 140 THR CA 1 140 THR C 153.85 -53.95 -108.01 -129.51 -96.03 . . 0 "[ . 1 . 2]"
168 . 1 140 THR N 1 140 THR CA 1 140 THR C 1 141 LYS N 93.15 -165.45 91.33 89.76 92.78 3.39 19 0 "[ . 1 . 2]"
169 . 1 140 THR C 1 141 LYS N 1 141 LYS CA 1 141 LYS C -178.20 -42.60 -172.76 -173.26 -175.23 0.51 8 0 "[ . 1 . 2]"
170 . 1 141 LYS N 1 141 LYS CA 1 141 LYS C 1 142 LEU N 78.80 -177.20 130.63 129.90 129.44 . . 0 "[ . 1 . 2]"
171 . 1 141 LYS C 1 142 LEU N 1 142 LEU CA 1 142 LEU C 167.35 -33.65 -132.00 -145.12 -115.82 . . 0 "[ . 1 . 2]"
172 . 1 142 LEU N 1 142 LEU CA 1 142 LEU C 1 143 GLU N 94.30 159.10 109.89 103.45 118.03 . . 0 "[ . 1 . 2]"
173 . 1 142 LEU C 1 143 GLU N 1 143 GLU CA 1 143 GLU C 153.75 -1.65 -93.78 -95.11 -97.55 . . 0 "[ . 1 . 2]"
174 . 1 143 GLU N 1 143 GLU CA 1 143 GLU C 1 144 VAL N 81.35 167.55 104.90 109.69 107.63 . . 0 "[ . 1 . 2]"
175 . 1 143 GLU C 1 144 VAL N 1 144 VAL CA 1 144 VAL C -179.00 -25.40 -94.26 -97.73 -91.01 . . 0 "[ . 1 . 2]"
176 . 1 144 VAL N 1 144 VAL CA 1 144 VAL C 1 145 ILE N 73.25 175.85 106.03 105.44 105.12 . . 0 "[ . 1 . 2]"
177 . 1 145 ILE C 1 146 ILE N 1 146 ILE CA 1 146 ILE C -168.50 -23.30 -102.87 -110.81 -95.48 . . 0 "[ . 1 . 2]"
178 . 1 146 ILE N 1 146 ILE CA 1 146 ILE C 1 147 GLU N 108.20 148.20 118.59 107.21 106.94 1.77 1 0 "[ . 1 . 2]"
179 . 1 148 GLU C 1 149 SER N 1 149 SER CA 1 149 SER C 146.90 27.30 -50.57 -86.67 30.88 3.58 10 0 "[ . 1 . 2]"
180 . 1 149 SER N 1 149 SER CA 1 149 SER C 1 150 TYR N 40.90 -139.50 96.90 123.19 119.67 0.79 3 0 "[ . 1 . 2]"
181 . 1 149 SER C 1 150 TYR N 1 150 TYR CA 1 150 TYR C -170.00 30.00 -130.13 -168.68 -85.10 . . 0 "[ . 1 . 2]"
182 . 1 150 TYR N 1 150 TYR CA 1 150 TYR C 1 151 GLU N -150.00 50.00 -61.07 -65.12 -66.90 . . 0 "[ . 1 . 2]"
183 . 1 154 SER C 1 155 THR N 1 155 THR CA 1 155 THR C 119.05 22.85 -100.99 -75.26 -80.22 . . 0 "[ . 1 . 2]"
184 . 1 155 THR N 1 155 THR CA 1 155 THR C 1 156 VAL N 52.50 -140.70 108.56 100.96 96.60 . . 0 "[ . 1 . 2]"
185 . 1 156 VAL C 1 157 ASP N 1 157 ASP CA 1 157 ASP C 140.00 180.00 -115.98 -163.16 -74.58 105.42 19 20 [****************-*+*]
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