NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
626319 |
5yz9   |
36143 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_5yz9
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 158
_TA_constraint_stats_list.Viol_count 700
_TA_constraint_stats_list.Viol_total 24463.86
_TA_constraint_stats_list.Viol_max 4.84
_TA_constraint_stats_list.Viol_rms 0.71
_TA_constraint_stats_list.Viol_average_all_restraints 0.25
_TA_constraint_stats_list.Viol_average_violations_only 1.40
_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 SER C 1 5 ILE N 1 5 ILE CA 1 5 ILE C -83.00 -43.00 -81.56 -87.46 -77.00 4.46 3 0 "[ . 1 . 2 .]"
2 . 1 5 ILE N 1 5 ILE CA 1 5 ILE C 1 6 VAL N -56.00 -16.00 -35.69 -35.90 -36.32 . . 0 "[ . 1 . 2 .]"
3 . 1 5 ILE C 1 6 VAL N 1 6 VAL CA 1 6 VAL C -83.00 -43.00 -49.62 -57.29 -45.49 . . 0 "[ . 1 . 2 .]"
4 . 1 6 VAL N 1 6 VAL CA 1 6 VAL C 1 7 GLU N -61.00 -21.00 -27.39 -33.86 -23.86 . . 0 "[ . 1 . 2 .]"
5 . 1 6 VAL C 1 7 GLU N 1 7 GLU CA 1 7 GLU C -83.00 -43.00 -69.88 -71.65 -72.84 . . 0 "[ . 1 . 2 .]"
6 . 1 7 GLU N 1 7 GLU CA 1 7 GLU C 1 8 LYS N -61.00 -21.00 -35.98 -40.34 -30.72 . . 0 "[ . 1 . 2 .]"
7 . 1 7 GLU C 1 8 LYS N 1 8 LYS CA 1 8 LYS C -85.00 -45.00 -56.97 -59.44 -60.28 . . 0 "[ . 1 . 2 .]"
8 . 1 8 LYS N 1 8 LYS CA 1 8 LYS C 1 9 PHE N -61.00 -21.00 -31.77 -31.44 -32.30 . . 0 "[ . 1 . 2 .]"
9 . 1 8 LYS C 1 9 PHE N 1 9 PHE CA 1 9 PHE C -82.00 -42.00 -73.35 -79.13 -69.85 . . 0 "[ . 1 . 2 .]"
10 . 1 9 PHE N 1 9 PHE CA 1 9 PHE C 1 10 ARG N -57.00 -17.00 -34.54 -31.55 -32.14 . . 0 "[ . 1 . 2 .]"
11 . 1 9 PHE C 1 10 ARG N 1 10 ARG CA 1 10 ARG C -94.00 -54.00 -72.53 -75.44 -76.33 . . 0 "[ . 1 . 2 .]"
12 . 1 10 ARG N 1 10 ARG CA 1 10 ARG C 1 11 SER N -46.00 -6.00 -24.97 -36.85 -14.58 . . 0 "[ . 1 . 2 .]"
13 . 1 10 ARG C 1 11 SER N 1 11 SER CA 1 11 SER C -91.00 -51.00 -79.55 -76.01 -78.09 . . 0 "[ . 1 . 2 .]"
14 . 1 11 SER N 1 11 SER CA 1 11 SER C 1 12 ARG N -47.00 -7.00 -30.76 -34.66 -39.77 . . 0 "[ . 1 . 2 .]"
15 . 1 11 SER C 1 12 ARG N 1 12 ARG CA 1 12 ARG C -117.00 -77.00 -76.20 -77.86 -75.05 1.95 13 0 "[ . 1 . 2 .]"
16 . 1 12 ARG N 1 12 ARG CA 1 12 ARG C 1 13 GLY N -22.00 18.00 -21.95 -23.81 -24.37 2.43 1 0 "[ . 1 . 2 .]"
17 . 1 12 ARG C 1 13 GLY N 1 13 GLY CA 1 13 GLY C 71.00 111.00 71.02 71.29 71.00 2.50 11 0 "[ . 1 . 2 .]"
18 . 1 13 GLY N 1 13 GLY CA 1 13 GLY C 1 14 ARG N -14.00 26.00 23.27 23.05 21.79 0.91 20 0 "[ . 1 . 2 .]"
19 . 1 14 ARG C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -93.00 -53.00 -72.05 -91.95 -59.95 . . 0 "[ . 1 . 2 .]"
20 . 1 15 ALA N 1 15 ALA CA 1 15 ALA C 1 16 GLN N -50.00 -10.00 -33.18 -33.70 -34.43 . . 0 "[ . 1 . 2 .]"
21 . 1 16 GLN C 1 17 VAL N 1 17 VAL CA 1 17 VAL C -115.00 -65.00 -73.46 -79.42 -82.13 . . 0 "[ . 1 . 2 .]"
22 . 1 17 VAL N 1 17 VAL CA 1 17 VAL C 1 18 GLN N -50.00 6.00 -22.19 -19.48 -21.21 . . 0 "[ . 1 . 2 .]"
23 . 1 18 GLN C 1 19 GLU N 1 19 GLU CA 1 19 GLU C -102.00 -62.00 -93.77 -98.53 -77.02 . . 0 "[ . 1 . 2 .]"
24 . 1 20 PHE C 1 21 CYS N 1 21 CYS CA 1 21 CYS C -100.00 -40.00 -92.65 -93.87 -94.39 . . 0 "[ . 1 . 2 .]"
25 . 1 21 CYS C 1 22 ASP N 1 22 ASP CA 1 22 ASP C -84.00 -34.00 -84.42 -85.63 -82.63 1.63 19 0 "[ . 1 . 2 .]"
26 . 1 22 ASP N 1 22 ASP CA 1 22 ASP C 1 23 TYR N -59.00 1.00 -60.35 -61.61 -58.77 2.61 17 0 "[ . 1 . 2 .]"
27 . 1 22 ASP C 1 23 TYR N 1 23 TYR CA 1 23 TYR C -97.00 -27.00 -100.17 -99.54 -99.59 4.82 5 0 "[ . 1 . 2 .]"
28 . 1 23 TYR N 1 23 TYR CA 1 23 TYR C 1 24 GLY N -71.00 -11.00 -73.48 -73.61 -73.86 3.42 20 0 "[ . 1 . 2 .]"
29 . 1 24 GLY C 1 25 THR N 1 25 THR CA 1 25 THR C -126.00 -66.00 -104.36 -128.05 -85.15 2.05 20 0 "[ . 1 . 2 .]"
30 . 1 25 THR N 1 25 THR CA 1 25 THR C 1 26 LYS N 132.00 -168.00 152.94 150.58 149.11 . . 0 "[ . 1 . 2 .]"
31 . 1 25 THR C 1 26 LYS N 1 26 LYS CA 1 26 LYS C -79.00 -39.00 -79.08 -81.02 -72.18 2.02 14 0 "[ . 1 . 2 .]"
32 . 1 26 LYS N 1 26 LYS CA 1 26 LYS C 1 27 GLU N -69.00 -9.00 -72.27 -72.49 -72.70 4.75 19 0 "[ . 1 . 2 .]"
33 . 1 26 LYS C 1 27 GLU N 1 27 GLU CA 1 27 GLU C -82.00 -42.00 -85.26 -86.16 -84.31 4.16 23 0 "[ . 1 . 2 .]"
34 . 1 27 GLU N 1 27 GLU CA 1 27 GLU C 1 28 GLU N -60.00 -20.00 -28.09 -28.42 -29.43 0.22 14 0 "[ . 1 . 2 .]"
35 . 1 27 GLU C 1 28 GLU N 1 28 GLU CA 1 28 GLU C -88.00 -48.00 -72.68 -82.33 -59.85 . . 0 "[ . 1 . 2 .]"
36 . 1 28 GLU N 1 28 GLU CA 1 28 GLU C 1 29 CYS N -58.00 -18.00 -47.68 -54.10 -42.92 . . 0 "[ . 1 . 2 .]"
37 . 1 28 GLU C 1 29 CYS N 1 29 CYS CA 1 29 CYS C -81.00 -41.00 -65.72 -71.50 -62.80 . . 0 "[ . 1 . 2 .]"
38 . 1 29 CYS N 1 29 CYS CA 1 29 CYS C 1 30 MET N -66.00 -26.00 -40.40 -41.85 -37.29 . . 0 "[ . 1 . 2 .]"
39 . 1 29 CYS C 1 30 MET N 1 30 MET CA 1 30 MET C -82.00 -42.00 -46.33 -46.51 -46.90 . . 0 "[ . 1 . 2 .]"
40 . 1 30 MET N 1 30 MET CA 1 30 MET C 1 31 LYS N -57.00 -17.00 -55.62 -56.65 -57.00 1.23 16 0 "[ . 1 . 2 .]"
41 . 1 30 MET C 1 31 LYS N 1 31 LYS CA 1 31 LYS C -80.00 -40.00 -50.26 -58.30 -43.49 . . 0 "[ . 1 . 2 .]"
42 . 1 31 LYS N 1 31 LYS CA 1 31 LYS C 1 32 ALA N -61.00 -21.00 -34.09 -38.63 -26.15 . . 0 "[ . 1 . 2 .]"
43 . 1 31 LYS C 1 32 ALA N 1 32 ALA CA 1 32 ALA C -89.00 -49.00 -83.54 -84.15 -85.42 . . 0 "[ . 1 . 2 .]"
44 . 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1 33 SER N -52.00 -12.00 -19.20 -25.03 -14.98 . . 0 "[ . 1 . 2 .]"
45 . 1 32 ALA C 1 33 SER N 1 33 SER CA 1 33 SER C -121.00 -51.00 -50.10 -53.47 -48.75 2.25 14 0 "[ . 1 . 2 .]"
46 . 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 ASP N -52.00 18.00 -51.53 -55.23 -20.73 3.23 25 0 "[ . 1 . 2 .]"
47 . 1 34 ASP C 1 35 ALA N 1 35 ALA CA 1 35 ALA C -141.00 -93.00 -137.80 -139.30 -140.28 0.58 9 0 "[ . 1 . 2 .]"
48 . 1 35 ALA N 1 35 ALA CA 1 35 ALA C 1 36 ASP N 123.00 -177.00 179.94 -179.53 -179.54 0.12 21 0 "[ . 1 . 2 .]"
49 . 1 35 ALA C 1 36 ASP N 1 36 ASP CA 1 36 ASP C -120.00 -60.00 -89.56 -93.42 -85.22 . . 0 "[ . 1 . 2 .]"
50 . 1 36 ASP C 1 37 ARG N 1 37 ARG CA 1 37 ARG C -178.00 -88.00 -85.94 -87.44 -84.24 3.76 12 0 "[ . 1 . 2 .]"
51 . 1 37 ARG N 1 37 ARG CA 1 37 ARG C 1 38 PRO N 74.00 164.00 153.79 152.58 155.08 . . 0 "[ . 1 . 2 .]"
52 . 1 37 ARG C 1 38 PRO N 1 38 PRO CA 1 38 PRO C -98.00 -38.00 -37.21 -37.90 -36.52 1.48 24 0 "[ . 1 . 2 .]"
53 . 1 39 CYS C 1 40 ARG N 1 40 ARG CA 1 40 ARG C -128.00 -68.00 -73.26 -76.82 -83.53 0.20 5 0 "[ . 1 . 2 .]"
54 . 1 40 ARG N 1 40 ARG CA 1 40 ARG C 1 41 LYS N -34.00 26.00 -11.73 -18.85 1.30 . . 0 "[ . 1 . 2 .]"
55 . 1 41 LYS C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -117.00 -57.00 -70.89 -73.70 -78.68 1.30 17 0 "[ . 1 . 2 .]"
56 . 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 HIS N -35.00 5.00 -5.74 -15.69 6.99 1.99 21 0 "[ . 1 . 2 .]"
57 . 1 43 HIS N 1 43 HIS CA 1 43 HIS C 1 44 PHE N 128.00 -172.00 159.98 149.92 176.13 . . 0 "[ . 1 . 2 .]"
58 . 1 44 PHE N 1 44 PHE CA 1 44 PHE C 1 45 ARG N 125.00 -165.00 128.45 129.16 129.02 0.20 20 0 "[ . 1 . 2 .]"
59 . 1 44 PHE C 1 45 ARG N 1 45 ARG CA 1 45 ARG C -180.00 -100.00 -100.45 -108.10 -95.75 4.25 21 0 "[ . 1 . 2 .]"
60 . 1 45 ARG N 1 45 ARG CA 1 45 ARG C 1 46 ARG N 103.00 163.00 108.16 101.69 126.40 1.31 15 0 "[ . 1 . 2 .]"
61 . 1 45 ARG C 1 46 ARG N 1 46 ARG CA 1 46 ARG C -125.00 -65.00 -113.18 -113.74 -115.65 2.29 22 0 "[ . 1 . 2 .]"
62 . 1 46 ARG N 1 46 ARG CA 1 46 ARG C 1 47 ILE N 97.00 157.00 145.70 147.71 146.75 0.15 22 0 "[ . 1 . 2 .]"
63 . 1 46 ARG C 1 47 ILE N 1 47 ILE CA 1 47 ILE C -139.00 -79.00 -94.22 -97.81 -98.93 . . 0 "[ . 1 . 2 .]"
64 . 1 47 ILE N 1 47 ILE CA 1 47 ILE C 1 48 ILE N 89.00 149.00 117.86 100.78 137.21 . . 0 "[ . 1 . 2 .]"
65 . 1 47 ILE C 1 48 ILE N 1 48 ILE CA 1 48 ILE C -133.00 -73.00 -114.97 -116.00 -120.44 1.34 25 0 "[ . 1 . 2 .]"
66 . 1 48 ILE N 1 48 ILE CA 1 48 ILE C 1 49 ASN N 97.00 157.00 156.93 158.63 158.34 2.16 23 0 "[ . 1 . 2 .]"
67 . 1 48 ILE C 1 49 ASN N 1 49 ASN CA 1 49 ASN C -140.00 -80.00 -130.39 -138.66 -104.03 . . 0 "[ . 1 . 2 .]"
68 . 1 49 ASN N 1 49 ASN CA 1 49 ASN C 1 50 LYS N 104.00 164.00 161.22 155.35 164.51 0.51 19 0 "[ . 1 . 2 .]"
69 . 1 49 ASN C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -112.00 -52.00 -57.11 -64.54 -51.68 0.32 6 0 "[ . 1 . 2 .]"
70 . 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 HIS N 93.00 153.00 151.61 143.65 155.34 2.34 18 0 "[ . 1 . 2 .]"
71 . 1 50 LYS C 1 51 HIS N 1 51 HIS CA 1 51 HIS C -149.00 -59.00 -59.67 -65.23 -56.32 2.68 18 0 "[ . 1 . 2 .]"
72 . 1 51 HIS N 1 51 HIS CA 1 51 HIS C 1 52 THR N 99.00 159.00 101.08 98.04 109.57 0.96 15 0 "[ . 1 . 2 .]"
73 . 1 51 HIS C 1 52 THR N 1 52 THR CA 1 52 THR C -108.00 -58.00 -89.57 -100.81 -81.28 . . 0 "[ . 1 . 2 .]"
74 . 1 52 THR N 1 52 THR CA 1 52 THR C 1 53 ASP N 92.00 162.00 160.83 160.80 158.96 1.01 9 0 "[ . 1 . 2 .]"
75 . 1 52 THR C 1 53 ASP N 1 53 ASP CA 1 53 ASP C -124.00 -64.00 -80.57 -96.26 -70.42 . . 0 "[ . 1 . 2 .]"
76 . 1 53 ASP N 1 53 ASP CA 1 53 ASP C 1 54 GLU N 109.00 169.00 125.15 117.05 115.13 . . 0 "[ . 1 . 2 .]"
77 . 1 53 ASP C 1 54 GLU N 1 54 GLU CA 1 54 GLU C -87.00 -37.00 -67.87 -81.75 -48.17 . . 0 "[ . 1 . 2 .]"
78 . 1 54 GLU N 1 54 GLU CA 1 54 GLU C 1 55 SER N -55.00 5.00 0.96 -1.53 -4.78 0.22 10 0 "[ . 1 . 2 .]"
79 . 1 54 GLU C 1 55 SER N 1 55 SER CA 1 55 SER C -83.00 -43.00 -74.79 -84.04 -61.92 1.04 8 0 "[ . 1 . 2 .]"
80 . 1 55 SER N 1 55 SER CA 1 55 SER C 1 56 LEU N -59.00 -19.00 -23.85 -38.00 -17.79 1.21 10 0 "[ . 1 . 2 .]"
81 . 1 55 SER C 1 56 LEU N 1 56 LEU CA 1 56 LEU C -100.00 -60.00 -68.10 -68.45 -69.71 . . 0 "[ . 1 . 2 .]"
82 . 1 56 LEU N 1 56 LEU CA 1 56 LEU C 1 57 GLY N 95.00 165.00 112.83 114.53 112.15 . . 0 "[ . 1 . 2 .]"
83 . 1 60 SER C 1 61 PHE N 1 61 PHE CA 1 61 PHE C -110.00 -40.00 -41.09 -46.82 -38.74 1.26 7 0 "[ . 1 . 2 .]"
84 . 1 61 PHE N 1 61 PHE CA 1 61 PHE C 1 62 LEU N -40.00 10.00 -23.13 -18.35 -19.63 . . 0 "[ . 1 . 2 .]"
85 . 1 61 PHE C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -81.00 -41.00 -47.32 -60.21 -40.04 0.96 10 0 "[ . 1 . 2 .]"
86 . 1 62 LEU N 1 62 LEU CA 1 62 LEU C 1 63 ASN N -66.00 -6.00 -16.72 -20.93 -10.39 . . 0 "[ . 1 . 2 .]"
87 . 1 66 PHE C 1 67 HIS N 1 67 HIS CA 1 67 HIS C -121.00 -61.00 -67.69 -73.31 -61.68 . . 0 "[ . 1 . 2 .]"
88 . 1 67 HIS N 1 67 HIS CA 1 67 HIS C 1 68 MET N 123.00 -157.00 143.28 134.75 134.12 . . 0 "[ . 1 . 2 .]"
89 . 1 67 HIS C 1 68 MET N 1 68 MET CA 1 68 MET C -92.00 -32.00 -91.94 -95.69 -88.13 3.69 3 0 "[ . 1 . 2 .]"
90 . 1 68 MET N 1 68 MET CA 1 68 MET C 1 69 ASP N -57.00 3.00 -40.50 -51.02 -34.95 . . 0 "[ . 1 . 2 .]"
91 . 1 68 MET C 1 69 ASP N 1 69 ASP CA 1 69 ASP C -83.00 -43.00 -45.37 -57.06 -41.89 1.11 21 0 "[ . 1 . 2 .]"
92 . 1 69 ASP N 1 69 ASP CA 1 69 ASP C 1 70 THR N -50.00 -10.00 -13.58 -15.72 -16.07 4.12 11 0 "[ . 1 . 2 .]"
93 . 1 69 ASP C 1 70 THR N 1 70 THR CA 1 70 THR C -119.00 -79.00 -93.58 -109.22 -86.89 . . 0 "[ . 1 . 2 .]"
94 . 1 71 CYS C 1 72 LYS N 1 72 LYS CA 1 72 LYS C -109.00 -49.00 -73.16 -94.54 -64.83 . . 0 "[ . 1 . 2 .]"
95 . 1 72 LYS C 1 73 TYR N 1 73 TYR CA 1 73 TYR C -104.00 -44.00 -90.22 -84.97 -86.65 . . 0 "[ . 1 . 2 .]"
96 . 1 73 TYR N 1 73 TYR CA 1 73 TYR C 1 74 VAL N -47.00 13.00 -20.66 -44.92 14.83 1.83 3 0 "[ . 1 . 2 .]"
97 . 1 73 TYR C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -97.00 -37.00 -68.61 -69.69 -74.02 . . 0 "[ . 1 . 2 .]"
98 . 1 76 TYR C 1 77 GLU N 1 77 GLU CA 1 77 GLU C -168.00 -108.00 -111.13 -109.41 -113.68 1.53 3 0 "[ . 1 . 2 .]"
99 . 1 77 GLU N 1 77 GLU CA 1 77 GLU C 1 78 ILE N 113.00 173.00 151.18 132.81 163.83 . . 0 "[ . 1 . 2 .]"
100 . 1 77 GLU C 1 78 ILE N 1 78 ILE CA 1 78 ILE C -126.00 -66.00 -113.49 -106.69 -109.12 . . 0 "[ . 1 . 2 .]"
101 . 1 78 ILE N 1 78 ILE CA 1 78 ILE C 1 79 ASP N 90.00 150.00 145.13 144.62 144.24 0.84 23 0 "[ . 1 . 2 .]"
102 . 1 78 ILE C 1 79 ASP N 1 79 ASP CA 1 79 ASP C -128.00 -68.00 -123.39 -128.78 -107.98 0.78 9 0 "[ . 1 . 2 .]"
103 . 1 79 ASP N 1 79 ASP CA 1 79 ASP C 1 80 ALA N 97.00 157.00 107.31 96.97 126.84 0.03 19 0 "[ . 1 . 2 .]"
104 . 1 79 ASP C 1 80 ALA N 1 80 ALA CA 1 80 ALA C -142.00 -72.00 -143.21 -144.64 -142.31 2.64 13 0 "[ . 1 . 2 .]"
105 . 1 80 ALA N 1 80 ALA CA 1 80 ALA C 1 81 SER N 109.00 169.00 164.99 168.84 168.40 0.78 4 0 "[ . 1 . 2 .]"
106 . 1 80 ALA C 1 81 SER N 1 81 SER CA 1 81 SER C -112.00 -52.00 -54.46 -68.66 -47.99 4.01 18 0 "[ . 1 . 2 .]"
107 . 1 81 SER N 1 81 SER CA 1 81 SER C 1 82 MET N 105.00 165.00 128.73 104.13 165.04 0.87 18 0 "[ . 1 . 2 .]"
108 . 1 81 SER C 1 82 MET N 1 82 MET CA 1 82 MET C -131.00 -71.00 -82.26 -102.28 -71.50 . . 0 "[ . 1 . 2 .]"
109 . 1 82 MET N 1 82 MET CA 1 82 MET C 1 83 ASP N 91.00 151.00 139.11 138.78 137.52 0.18 12 0 "[ . 1 . 2 .]"
110 . 1 83 ASP C 1 84 SER N 1 84 SER CA 1 84 SER C -114.00 -54.00 -67.62 -82.84 -53.75 0.25 11 0 "[ . 1 . 2 .]"
111 . 1 84 SER N 1 84 SER CA 1 84 SER C 1 85 GLU N -51.00 9.00 -27.19 -49.19 6.97 . . 0 "[ . 1 . 2 .]"
112 . 1 85 GLU C 1 86 ALA N 1 86 ALA CA 1 86 ALA C -102.00 -42.00 -72.99 -87.86 -54.52 . . 0 "[ . 1 . 2 .]"
113 . 1 86 ALA N 1 86 ALA CA 1 86 ALA C 1 87 PRO N 112.00 172.00 149.02 153.96 152.98 . . 0 "[ . 1 . 2 .]"
114 . 1 86 ALA C 1 87 PRO N 1 87 PRO CA 1 87 PRO C -89.00 -29.00 -63.10 -43.43 -72.37 . . 0 "[ . 1 . 2 .]"
115 . 1 87 PRO N 1 87 PRO CA 1 87 PRO C 1 88 GLY N 112.00 172.00 152.10 160.81 156.95 1.12 12 0 "[ . 1 . 2 .]"
116 . 1 87 PRO C 1 88 GLY N 1 88 GLY CA 1 88 GLY C 60.00 120.00 81.36 80.20 77.53 . . 0 "[ . 1 . 2 .]"
117 . 1 88 GLY N 1 88 GLY CA 1 88 GLY C 1 89 SER N -43.00 17.00 2.55 -22.91 -37.79 0.75 4 0 "[ . 1 . 2 .]"
118 . 1 89 SER C 1 90 LYS N 1 90 LYS CA 1 90 LYS C -114.00 -54.00 -67.12 -57.97 -60.07 . . 0 "[ . 1 . 2 .]"
119 . 1 90 LYS N 1 90 LYS CA 1 90 LYS C 1 91 ASP N -51.00 9.00 -31.05 -50.71 1.81 . . 0 "[ . 1 . 2 .]"
120 . 1 91 ASP C 1 92 HIS N 1 92 HIS CA 1 92 HIS C -113.00 -53.00 -72.67 -88.06 -113.76 0.76 1 0 "[ . 1 . 2 .]"
121 . 1 92 HIS N 1 92 HIS CA 1 92 HIS C 1 93 THR N 109.00 169.00 140.38 123.64 117.26 . . 0 "[ . 1 . 2 .]"
122 . 1 92 HIS C 1 93 THR N 1 93 THR CA 1 93 THR C -109.00 -49.00 -69.54 -55.85 -57.86 0.97 22 0 "[ . 1 . 2 .]"
123 . 1 93 THR N 1 93 THR CA 1 93 THR C 1 94 PRO N 104.00 164.00 148.86 101.91 153.27 2.09 22 0 "[ . 1 . 2 .]"
124 . 1 95 SER C 1 96 GLN N 1 96 GLN CA 1 96 GLN C -113.00 -53.00 -68.39 -63.29 -66.40 . . 0 "[ . 1 . 2 .]"
125 . 1 96 GLN N 1 96 GLN CA 1 96 GLN C 1 97 GLU N -50.00 10.00 -30.07 -48.89 -4.03 . . 0 "[ . 1 . 2 .]"
126 . 1 43 HIS N 1 43 HIS CA 1 43 HIS CB 1 43 HIS CG -90.00 -30.00 -76.62 -72.66 -73.69 . . 0 "[ . 1 . 2 .]"
127 . 1 75 HIS N 1 75 HIS CA 1 75 HIS CB 1 75 HIS CG -100.00 -20.00 -101.32 -104.84 -94.33 4.84 24 0 "[ . 1 . 2 .]"
128 . 1 44 PHE N 1 44 PHE CA 1 44 PHE CB 1 44 PHE CG -80.00 80.00 57.62 60.26 59.72 . . 0 "[ . 1 . 2 .]"
129 . 1 44 PHE N 1 44 PHE CA 1 44 PHE CB 1 44 PHE CG -80.00 80.00 57.62 60.26 59.72 . . 0 "[ . 1 . 2 .]"
130 . 1 66 PHE N 1 66 PHE CA 1 66 PHE CB 1 66 PHE CG -80.00 80.00 -71.78 -77.74 -62.27 . . 0 "[ . 1 . 2 .]"
131 . 1 67 HIS N 1 67 HIS CA 1 67 HIS CB 1 67 HIS CG -80.00 80.00 -52.52 -54.61 -59.81 . . 0 "[ . 1 . 2 .]"
132 . 1 73 TYR N 1 73 TYR CA 1 73 TYR CB 1 73 TYR CG -80.00 80.00 -68.21 -72.66 -58.58 . . 0 "[ . 1 . 2 .]"
133 . 1 76 TYR N 1 76 TYR CA 1 76 TYR CB 1 76 TYR CG -80.00 80.00 -46.57 -47.39 -47.56 . . 0 "[ . 1 . 2 .]"
134 . 1 5 ILE N 1 5 ILE CA 1 5 ILE CB 1 5 ILE CG1 40.00 80.00 82.31 81.46 81.18 3.78 2 0 "[ . 1 . 2 .]"
135 . 1 7 GLU N 1 7 GLU CA 1 7 GLU CB 1 7 GLU CG -80.00 80.00 -63.78 -70.12 -70.48 . . 0 "[ . 1 . 2 .]"
136 . 1 10 ARG N 1 10 ARG CA 1 10 ARG CB 1 10 ARG CG -80.00 80.00 -76.95 -77.53 -78.10 1.62 3 0 "[ . 1 . 2 .]"
137 . 1 12 ARG N 1 12 ARG CA 1 12 ARG CB 1 12 ARG CG 160.00 -160.00 -172.56 170.75 -163.01 . . 0 "[ . 1 . 2 .]"
138 . 1 16 GLN N 1 16 GLN CA 1 16 GLN CB 1 16 GLN CG -80.00 80.00 -64.84 -50.95 -59.62 . . 0 "[ . 1 . 2 .]"
139 . 1 18 GLN N 1 18 GLN CA 1 18 GLN CB 1 18 GLN CG -80.00 80.00 -64.16 -68.95 -69.66 . . 0 "[ . 1 . 2 .]"
140 . 1 25 THR N 1 25 THR CA 1 25 THR CB 1 25 THR CG2 -80.00 80.00 -68.81 -72.82 -64.18 . . 0 "[ . 1 . 2 .]"
141 . 1 27 GLU N 1 27 GLU CA 1 27 GLU CB 1 27 GLU CG -80.00 80.00 -67.06 -76.11 -60.04 . . 0 "[ . 1 . 2 .]"
142 . 1 28 GLU N 1 28 GLU CA 1 28 GLU CB 1 28 GLU CG -80.00 80.00 -38.29 -37.73 -37.99 . . 0 "[ . 1 . 2 .]"
143 . 1 31 LYS N 1 31 LYS CA 1 31 LYS CB 1 31 LYS CG 160.00 -160.00 -158.52 -158.15 -158.22 2.89 16 0 "[ . 1 . 2 .]"
144 . 1 37 ARG N 1 37 ARG CA 1 37 ARG CB 1 37 ARG CG -80.00 80.00 -62.12 -62.99 -63.45 . . 0 "[ . 1 . 2 .]"
145 . 1 41 LYS N 1 41 LYS CA 1 41 LYS CB 1 41 LYS CG -80.00 80.00 -38.89 -36.96 -51.09 . . 0 "[ . 1 . 2 .]"
146 . 1 42 LEU N 1 42 LEU CA 1 42 LEU CB 1 42 LEU CG -80.00 80.00 -61.63 -66.04 -69.05 . . 0 "[ . 1 . 2 .]"
147 . 1 47 ILE N 1 47 ILE CA 1 47 ILE CB 1 47 ILE CG1 40.00 80.00 50.70 43.20 65.10 . . 0 "[ . 1 . 2 .]"
148 . 1 48 ILE N 1 48 ILE CA 1 48 ILE CB 1 48 ILE CG1 40.00 80.00 57.51 60.97 60.03 . . 0 "[ . 1 . 2 .]"
149 . 1 52 THR N 1 52 THR CA 1 52 THR CB 1 52 THR CG2 160.00 -160.00 161.05 158.92 158.76 1.24 1 0 "[ . 1 . 2 .]"
150 . 1 54 GLU N 1 54 GLU CA 1 54 GLU CB 1 54 GLU CG -80.00 80.00 -52.14 -54.77 -54.95 . . 0 "[ . 1 . 2 .]"
151 . 1 56 LEU N 1 56 LEU CA 1 56 LEU CB 1 56 LEU CG -80.00 80.00 -66.94 -62.91 -64.66 . . 0 "[ . 1 . 2 .]"
152 . 1 62 LEU N 1 62 LEU CA 1 62 LEU CB 1 62 LEU CG -80.00 80.00 -75.59 -64.95 -71.01 0.46 21 0 "[ . 1 . 2 .]"
153 . 1 64 THR N 1 64 THR CA 1 64 THR CB 1 64 THR CG2 -80.00 80.00 -22.78 -80.99 -81.08 1.86 12 0 "[ . 1 . 2 .]"
154 . 1 68 MET N 1 68 MET CA 1 68 MET CB 1 68 MET CG -80.00 80.00 -62.09 -76.85 63.31 . . 0 "[ . 1 . 2 .]"
155 . 1 70 THR N 1 70 THR CA 1 70 THR CB 1 70 THR CG2 -80.00 80.00 45.08 30.13 76.74 . . 0 "[ . 1 . 2 .]"
156 . 1 74 VAL N 1 74 VAL CA 1 74 VAL CB 1 74 VAL CG1 -80.00 -40.00 -74.95 -61.50 -62.57 0.37 12 0 "[ . 1 . 2 .]"
157 . 1 77 GLU N 1 77 GLU CA 1 77 GLU CB 1 77 GLU CG -80.00 80.00 -46.27 -66.52 61.19 . . 0 "[ . 1 . 2 .]"
158 . 1 78 ILE N 1 78 ILE CA 1 78 ILE CB 1 78 ILE CG2 30.00 90.00 28.94 27.84 30.52 2.16 15 0 "[ . 1 . 2 .]"
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