NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
481208 |
1b3c   |
4279 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1b3c
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 110
_TA_constraint_stats_list.Viol_count 198
_TA_constraint_stats_list.Viol_total 120138.02
_TA_constraint_stats_list.Viol_max 116.96
_TA_constraint_stats_list.Viol_rms 6.26
_TA_constraint_stats_list.Viol_average_all_restraints 0.68
_TA_constraint_stats_list.Viol_average_violations_only 15.17
_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 1 LYS N 1 1 LYS CA 1 1 LYS C 1 2 ASP N 20.00 -160.00 127.59 90.42 84.12 . . 0 "[ . 1 . 2 . 3 . 4]"
2 . 1 1 LYS C 1 2 ASP N 1 2 ASP CA 1 2 ASP C -170.00 -70.00 -103.51 -120.62 -126.66 0.25 19 0 "[ . 1 . 2 . 3 . 4]"
3 . 1 2 ASP N 1 2 ASP CA 1 2 ASP C 1 3 GLY N 20.00 -160.00 148.03 132.15 127.99 . . 0 "[ . 1 . 2 . 3 . 4]"
4 . 1 2 ASP C 1 3 GLY N 1 3 GLY CA 1 3 GLY C -170.00 -70.00 -158.61 -170.11 -130.73 0.11 17 0 "[ . 1 . 2 . 3 . 4]"
5 . 1 3 GLY N 1 3 GLY CA 1 3 GLY C 1 4 TYR N 20.00 -160.00 -176.71 -175.95 -177.31 . . 0 "[ . 1 . 2 . 3 . 4]"
6 . 1 3 GLY C 1 4 TYR N 1 4 TYR CA 1 4 TYR C -170.00 -70.00 -115.94 -140.75 -96.13 . . 0 "[ . 1 . 2 . 3 . 4]"
7 . 1 4 TYR N 1 4 TYR CA 1 4 TYR C 1 5 LEU N 20.00 -160.00 134.86 74.20 -178.58 . . 0 "[ . 1 . 2 . 3 . 4]"
8 . 1 5 LEU C 1 6 VAL N 1 6 VAL CA 1 6 VAL C -170.00 -70.00 -109.04 -98.27 -102.09 . . 0 "[ . 1 . 2 . 3 . 4]"
9 . 1 6 VAL N 1 6 VAL CA 1 6 VAL C 1 7 GLU N 20.00 -160.00 -170.55 -179.55 -164.98 . . 0 "[ . 1 . 2 . 3 . 4]"
10 . 1 6 VAL C 1 7 GLU N 1 7 GLU CA 1 7 GLU C -170.00 -70.00 -119.51 -134.33 -139.18 . . 0 "[ . 1 . 2 . 3 . 4]"
11 . 1 7 GLU N 1 7 GLU CA 1 7 GLU C 1 8 LYS N 20.00 -160.00 171.97 175.45 175.16 . . 0 "[ . 1 . 2 . 3 . 4]"
12 . 1 7 GLU C 1 8 LYS N 1 8 LYS CA 1 8 LYS C -110.00 -10.00 -47.25 -64.08 -33.67 . . 0 "[ . 1 . 2 . 3 . 4]"
13 . 1 8 LYS C 1 9 THR N 1 9 THR CA 1 9 THR C -110.00 -10.00 -81.00 -66.69 -69.32 . . 0 "[ . 1 . 2 . 3 . 4]"
14 . 1 10 GLY C 1 11 CYS N 1 11 CYS CA 1 11 CYS C -150.00 -50.00 -69.63 -112.38 -49.88 0.12 19 0 "[ . 1 . 2 . 3 . 4]"
15 . 1 11 CYS N 1 11 CYS CA 1 11 CYS C 1 12 LYS N 20.00 -160.00 161.93 133.03 131.88 . . 0 "[ . 1 . 2 . 3 . 4]"
16 . 1 11 CYS C 1 12 LYS N 1 12 LYS CA 1 12 LYS C -110.00 -10.00 -76.24 -110.16 -50.34 0.16 16 0 "[ . 1 . 2 . 3 . 4]"
17 . 1 12 LYS N 1 12 LYS CA 1 12 LYS C 1 13 LYS N 20.00 -160.00 -172.02 -169.03 -170.38 . . 0 "[ . 1 . 2 . 3 . 4]"
18 . 1 12 LYS C 1 13 LYS N 1 13 LYS CA 1 13 LYS C -170.00 -70.00 -134.38 -112.58 -117.23 . . 0 "[ . 1 . 2 . 3 . 4]"
19 . 1 13 LYS N 1 13 LYS CA 1 13 LYS C 1 14 THR N 20.00 -160.00 89.69 114.11 101.87 . . 0 "[ . 1 . 2 . 3 . 4]"
20 . 1 13 LYS C 1 14 THR N 1 14 THR CA 1 14 THR C -110.00 -10.00 -71.50 -111.21 -36.34 1.21 20 0 "[ . 1 . 2 . 3 . 4]"
21 . 1 14 THR N 1 14 THR CA 1 14 THR C 1 15 CYS N 20.00 -160.00 151.28 146.12 142.50 . . 0 "[ . 1 . 2 . 3 . 4]"
22 . 1 14 THR C 1 15 CYS N 1 15 CYS CA 1 15 CYS C -170.00 -70.00 -132.99 -159.25 -110.71 . . 0 "[ . 1 . 2 . 3 . 4]"
23 . 1 15 CYS C 1 16 TYR N 1 16 TYR CA 1 16 TYR C -170.00 -70.00 -91.49 -102.80 -105.32 0.18 19 0 "[ . 1 . 2 . 3 . 4]"
24 . 1 16 TYR C 1 17 LYS N 1 17 LYS CA 1 17 LYS C -170.00 -70.00 -97.37 -109.03 -112.88 0.58 29 0 "[ . 1 . 2 . 3 . 4]"
25 . 1 17 LYS N 1 17 LYS CA 1 17 LYS C 1 18 LEU N 20.00 -160.00 95.87 102.85 101.22 . . 0 "[ . 1 . 2 . 3 . 4]"
26 . 1 17 LYS C 1 18 LEU N 1 18 LEU CA 1 18 LEU C -110.00 -10.00 -68.75 -73.60 -74.92 . . 0 "[ . 1 . 2 . 3 . 4]"
27 . 1 18 LEU N 1 18 LEU CA 1 18 LEU C 1 19 GLY N 20.00 -160.00 159.51 172.96 167.52 . . 0 "[ . 1 . 2 . 3 . 4]"
28 . 1 20 GLU C 1 21 ASN N 1 21 ASN CA 1 21 ASN C -170.00 -70.00 -86.41 -83.10 -85.98 1.28 8 0 "[ . 1 . 2 . 3 . 4]"
29 . 1 21 ASN C 1 22 ASP N 1 22 ASP CA 1 22 ASP C -110.00 -10.00 -44.27 -111.71 -29.83 1.71 22 0 "[ . 1 . 2 . 3 . 4]"
30 . 1 22 ASP C 1 23 PHE N 1 23 PHE CA 1 23 PHE C -80.00 -40.00 -47.59 -43.88 -44.32 0.19 21 0 "[ . 1 . 2 . 3 . 4]"
31 . 1 23 PHE C 1 24 CYS N 1 24 CYS CA 1 24 CYS C -80.00 -40.00 -65.20 -63.64 -65.20 . . 0 "[ . 1 . 2 . 3 . 4]"
32 . 1 24 CYS C 1 25 ASN N 1 25 ASN CA 1 25 ASN C -80.00 -40.00 -53.68 -62.15 -63.69 . . 0 "[ . 1 . 2 . 3 . 4]"
33 . 1 25 ASN C 1 26 ARG N 1 26 ARG CA 1 26 ARG C -80.00 -40.00 -58.66 -53.09 -54.80 . . 0 "[ . 1 . 2 . 3 . 4]"
34 . 1 26 ARG C 1 27 GLU N 1 27 GLU CA 1 27 GLU C -80.00 -40.00 -64.96 -81.45 -46.70 1.45 19 0 "[ . 1 . 2 . 3 . 4]"
35 . 1 27 GLU C 1 28 CYS N 1 28 CYS CA 1 28 CYS C -80.00 -40.00 -69.27 -81.27 -38.60 1.40 40 0 "[ . 1 . 2 . 3 . 4]"
36 . 1 28 CYS C 1 29 LYS N 1 29 LYS CA 1 29 LYS C -120.00 -40.00 -88.71 -120.66 -43.59 0.66 5 0 "[ . 1 . 2 . 3 . 4]"
37 . 1 32 HIS C 1 33 ILE N 1 33 ILE CA 1 33 ILE C -170.00 -70.00 -119.35 -132.77 -136.45 . . 0 "[ . 1 . 2 . 3 . 4]"
38 . 1 35 GLY N 1 35 GLY CA 1 35 GLY C 1 36 SER N 20.00 -160.00 119.13 20.00 179.85 . . 0 "[ . 1 . 2 . 3 . 4]"
39 . 1 35 GLY C 1 36 SER N 1 36 SER CA 1 36 SER C -170.00 -70.00 -94.40 -106.78 -110.55 0.41 38 0 "[ . 1 . 2 . 3 . 4]"
40 . 1 36 SER C 1 37 TYR N 1 37 TYR CA 1 37 TYR C -170.00 -70.00 -142.39 -170.25 -72.41 0.25 18 0 "[ . 1 . 2 . 3 . 4]"
41 . 1 37 TYR C 1 38 GLY N 1 38 GLY CA 1 38 GLY C -170.00 -70.00 -139.02 -170.10 -90.29 0.10 5 0 "[ . 1 . 2 . 3 . 4]"
42 . 1 39 TYR N 1 39 TYR CA 1 39 TYR C 1 40 CYS N 20.00 -160.00 172.41 164.37 162.40 . . 0 "[ . 1 . 2 . 3 . 4]"
43 . 1 39 TYR C 1 40 CYS N 1 40 CYS CA 1 40 CYS C -170.00 -70.00 -86.36 -85.06 -85.72 0.33 28 0 "[ . 1 . 2 . 3 . 4]"
44 . 1 40 CYS N 1 40 CYS CA 1 40 CYS C 1 41 TYR N 20.00 -160.00 128.66 99.75 165.10 . . 0 "[ . 1 . 2 . 3 . 4]"
45 . 1 40 CYS C 1 41 TYR N 1 41 TYR CA 1 41 TYR C -170.00 -70.00 -136.10 -126.91 -128.63 . . 0 "[ . 1 . 2 . 3 . 4]"
46 . 1 44 GLY C 1 45 CYS N 1 45 CYS CA 1 45 CYS C -170.00 -70.00 -79.14 -110.83 -68.90 1.10 14 0 "[ . 1 . 2 . 3 . 4]"
47 . 1 45 CYS N 1 45 CYS CA 1 45 CYS C 1 46 TYR N 20.00 -160.00 116.37 89.03 141.05 . . 0 "[ . 1 . 2 . 3 . 4]"
48 . 1 45 CYS C 1 46 TYR N 1 46 TYR CA 1 46 TYR C -170.00 -70.00 -114.63 -100.49 -106.65 . . 0 "[ . 1 . 2 . 3 . 4]"
49 . 1 46 TYR N 1 46 TYR CA 1 46 TYR C 1 47 CYS N 20.00 -160.00 136.54 138.26 137.00 . . 0 "[ . 1 . 2 . 3 . 4]"
50 . 1 46 TYR C 1 47 CYS N 1 47 CYS CA 1 47 CYS C -170.00 -70.00 -124.52 -147.99 -98.37 . . 0 "[ . 1 . 2 . 3 . 4]"
51 . 1 47 CYS N 1 47 CYS CA 1 47 CYS C 1 48 GLU N 20.00 -160.00 150.04 154.99 151.40 . . 0 "[ . 1 . 2 . 3 . 4]"
52 . 1 47 CYS C 1 48 GLU N 1 48 GLU CA 1 48 GLU C -170.00 -70.00 -122.41 -127.79 -128.38 . . 0 "[ . 1 . 2 . 3 . 4]"
53 . 1 48 GLU N 1 48 GLU CA 1 48 GLU C 1 49 GLY N 20.00 -160.00 123.95 136.61 133.11 . . 0 "[ . 1 . 2 . 3 . 4]"
54 . 1 49 GLY C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -100.00 -20.00 -76.80 -97.54 -99.33 1.39 3 0 "[ . 1 . 2 . 3 . 4]"
55 . 1 51 PRO N 1 51 PRO CA 1 51 PRO C 1 52 ASP N 20.00 -160.00 162.19 146.75 -177.71 . . 0 "[ . 1 . 2 . 3 . 4]"
56 . 1 51 PRO C 1 52 ASP N 1 52 ASP CA 1 52 ASP C -100.00 -20.00 -60.60 -72.41 -43.54 . . 0 "[ . 1 . 2 . 3 . 4]"
57 . 1 52 ASP C 1 53 SER N 1 53 SER CA 1 53 SER C -100.00 -20.00 -71.95 -100.30 -41.88 0.30 7 0 "[ . 1 . 2 . 3 . 4]"
58 . 1 53 SER C 1 54 THR N 1 54 THR CA 1 54 THR C -100.00 -20.00 -82.84 -100.50 -50.52 0.50 2 0 "[ . 1 . 2 . 3 . 4]"
59 . 1 54 THR N 1 54 THR CA 1 54 THR C 1 55 GLN N 20.00 -160.00 147.13 130.96 171.85 . . 0 "[ . 1 . 2 . 3 . 4]"
60 . 1 54 THR C 1 55 GLN N 1 55 GLN CA 1 55 GLN C -100.00 -20.00 -91.96 -100.49 -71.06 0.49 10 0 "[ . 1 . 2 . 3 . 4]"
61 . 1 55 GLN N 1 55 GLN CA 1 55 GLN C 1 56 THR N 20.00 -160.00 147.70 162.35 157.95 0.08 24 0 "[ . 1 . 2 . 3 . 4]"
62 . 1 55 GLN C 1 56 THR N 1 56 THR CA 1 56 THR C -170.00 -70.00 -144.80 -170.04 -69.98 0.04 5 0 "[ . 1 . 2 . 3 . 4]"
63 . 1 56 THR N 1 56 THR CA 1 56 THR C 1 57 TRP N 20.00 -160.00 166.26 163.90 160.09 . . 0 "[ . 1 . 2 . 3 . 4]"
64 . 1 56 THR C 1 57 TRP N 1 57 TRP CA 1 57 TRP C -100.00 -20.00 -78.75 -97.58 -49.82 . . 0 "[ . 1 . 2 . 3 . 4]"
65 . 1 57 TRP N 1 57 TRP CA 1 57 TRP C 1 58 PRO N 20.00 -160.00 149.71 157.84 156.63 . . 0 "[ . 1 . 2 . 3 . 4]"
66 . 1 58 PRO N 1 58 PRO CA 1 58 PRO C 1 59 LEU N 20.00 -160.00 170.85 154.20 143.18 . . 0 "[ . 1 . 2 . 3 . 4]"
67 . 1 58 PRO C 1 59 LEU N 1 59 LEU CA 1 59 LEU C -130.00 -30.00 -89.10 -131.84 -55.34 1.84 14 0 "[ . 1 . 2 . 3 . 4]"
68 . 1 59 LEU N 1 59 LEU CA 1 59 LEU C 1 60 PRO N 20.00 -160.00 170.23 56.90 -179.40 . . 0 "[ . 1 . 2 . 3 . 4]"
69 . 1 60 PRO N 1 60 PRO CA 1 60 PRO C 1 61 ASN N 20.00 -160.00 -164.14 -174.04 -179.80 4.42 2 0 "[ . 1 . 2 . 3 . 4]"
70 . 1 60 PRO C 1 61 ASN N 1 61 ASN CA 1 61 ASN C -130.00 -30.00 -48.86 -37.74 -41.00 . . 0 "[ . 1 . 2 . 3 . 4]"
71 . 1 61 ASN C 1 62 LYS N 1 62 LYS CA 1 62 LYS C -160.00 -60.00 -86.51 -56.79 -62.71 3.21 2 0 "[ . 1 . 2 . 3 . 4]"
72 . 1 62 LYS N 1 62 LYS CA 1 62 LYS C 1 63 THR N 20.00 -160.00 77.11 151.86 111.97 2.99 2 0 "[ . 1 . 2 . 3 . 4]"
73 . 1 62 LYS C 1 63 THR N 1 63 THR CA 1 63 THR C -160.00 -60.00 -77.21 -55.71 -58.04 4.29 2 0 "[ . 1 . 2 . 3 . 4]"
74 . 1 63 THR N 1 63 THR CA 1 63 THR C 1 64 CYS N 20.00 -160.00 -177.77 -160.26 -163.39 . . 0 "[ . 1 . 2 . 3 . 4]"
75 . 1 2 ASP N 1 2 ASP CA 1 2 ASP CB 1 2 ASP CG -120.00 0.00 -45.61 -80.85 -16.36 . . 0 "[ . 1 . 2 . 3 . 4]"
76 . 1 4 TYR N 1 4 TYR CA 1 4 TYR CB 1 4 TYR CG -120.00 0.00 -96.98 -120.03 -65.22 0.03 37 0 "[ . 1 . 2 . 3 . 4]"
77 . 1 5 LEU N 1 5 LEU CA 1 5 LEU CB 1 5 LEU CG -120.00 0.00 -97.80 -79.07 -84.56 0.89 9 0 "[ . 1 . 2 . 3 . 4]"
78 . 1 5 LEU CA 1 5 LEU CB 1 5 LEU CG 1 5 LEU CD1 120.00 -120.00 159.03 149.30 146.43 . . 0 "[ . 1 . 2 . 3 . 4]"
79 . 1 6 VAL N 1 6 VAL CA 1 6 VAL CB 1 6 VAL HB 120.00 -120.00 -173.07 176.77 -163.66 . . 0 "[ . 1 . 2 . 3 . 4]"
80 . 1 9 THR N 1 9 THR CA 1 9 THR CB 1 9 THR CG2 -120.00 0.00 -68.94 -75.72 -77.46 . . 0 "[ . 1 . 2 . 3 . 4]"
81 . 1 11 CYS N 1 11 CYS CA 1 11 CYS CB 1 11 CYS SG -120.00 0.00 -76.27 -72.85 -83.39 . . 0 "[ . 1 . 2 . 3 . 4]"
82 . 1 14 THR N 1 14 THR CA 1 14 THR CB 1 14 THR CG2 120.00 -120.00 171.68 122.23 -157.38 . . 0 "[ . 1 . 2 . 3 . 4]"
83 . 1 14 THR N 1 14 THR CA 1 14 THR CB 1 14 THR CG2 120.00 -120.00 171.68 122.23 -157.38 . . 0 "[ . 1 . 2 . 3 . 4]"
84 . 1 15 CYS N 1 15 CYS CA 1 15 CYS CB 1 15 CYS SG 0.00 120.00 61.88 28.25 120.66 0.66 10 0 "[ . 1 . 2 . 3 . 4]"
85 . 1 16 TYR N 1 16 TYR CA 1 16 TYR CB 1 16 TYR CG -120.00 0.00 -79.10 -116.41 -39.05 . . 0 "[ . 1 . 2 . 3 . 4]"
86 . 1 18 LEU N 1 18 LEU CA 1 18 LEU CB 1 18 LEU CG -120.00 0.00 -70.05 -62.68 -63.97 . . 0 "[ . 1 . 2 . 3 . 4]"
87 . 1 18 LEU CA 1 18 LEU CB 1 18 LEU CG 1 18 LEU CD1 120.00 -120.00 176.46 -179.47 179.38 . . 0 "[ . 1 . 2 . 3 . 4]"
88 . 1 21 ASN N 1 21 ASN CA 1 21 ASN CB 1 21 ASN CG 120.00 -120.00 -161.90 -167.00 -170.65 . . 0 "[ . 1 . 2 . 3 . 4]"
89 . 1 22 ASP N 1 22 ASP CA 1 22 ASP CB 1 22 ASP CG 120.00 0.00 -114.41 145.01 -55.51 . . 0 "[ . 1 . 2 . 3 . 4]"
90 . 1 23 PHE N 1 23 PHE CA 1 23 PHE CB 1 23 PHE CG 120.00 -120.00 -139.33 -128.81 -130.22 0.68 35 0 "[ . 1 . 2 . 3 . 4]"
91 . 1 24 CYS N 1 24 CYS CA 1 24 CYS CB 1 24 CYS SG -120.00 0.00 -116.92 -91.06 -123.19 74.19 6 20 "[* * *+ 1** *-* ** . ** * **** * *]"
92 . 1 28 CYS N 1 28 CYS CA 1 28 CYS CB 1 28 CYS SG 120.00 -120.00 -158.65 -169.13 -172.07 1.10 4 0 "[ . 1 . 2 . 3 . 4]"
93 . 1 36 SER N 1 36 SER CA 1 36 SER CB 1 36 SER OG 0.00 120.00 74.63 49.89 31.19 0.63 3 0 "[ . 1 . 2 . 3 . 4]"
94 . 1 37 TYR N 1 37 TYR CA 1 37 TYR CB 1 37 TYR CG 120.00 -120.00 -140.84 -151.22 -153.49 0.62 23 0 "[ . 1 . 2 . 3 . 4]"
95 . 1 39 TYR N 1 39 TYR CA 1 39 TYR CB 1 39 TYR CG 0.00 120.00 61.08 32.16 87.18 . . 0 "[ . 1 . 2 . 3 . 4]"
96 . 1 40 CYS N 1 40 CYS CA 1 40 CYS CB 1 40 CYS SG 120.00 -120.00 -150.88 166.26 -118.74 1.26 28 0 "[ . 1 . 2 . 3 . 4]"
97 . 1 41 TYR N 1 41 TYR CA 1 41 TYR CB 1 41 TYR CG 120.00 -120.00 -172.80 171.56 167.00 . . 0 "[ . 1 . 2 . 3 . 4]"
98 . 1 43 PHE N 1 43 PHE CA 1 43 PHE CB 1 43 PHE CG -120.00 0.00 -71.60 -75.67 -77.41 . . 0 "[ . 1 . 2 . 3 . 4]"
99 . 1 45 CYS N 1 45 CYS CA 1 45 CYS CB 1 45 CYS SG -120.00 0.00 -86.00 -98.87 -103.86 3.56 20 0 "[ . 1 . 2 . 3 . 4]"
100 . 1 46 TYR N 1 46 TYR CA 1 46 TYR CB 1 46 TYR CG 120.00 -120.00 -159.37 -157.26 -157.82 . . 0 "[ . 1 . 2 . 3 . 4]"
101 . 1 47 CYS N 1 47 CYS CA 1 47 CYS CB 1 47 CYS SG -120.00 0.00 -89.65 -121.16 -50.61 1.16 31 0 "[ . 1 . 2 . 3 . 4]"
102 . 1 50 LEU N 1 50 LEU CA 1 50 LEU CB 1 50 LEU CG -180.00 60.00 -33.22 -74.90 52.18 . . 0 "[ . 1 . 2 . 3 . 4]"
103 . 1 52 ASP N 1 52 ASP CA 1 52 ASP CB 1 52 ASP CG -120.00 0.00 -120.95 162.52 -48.89 77.48 25 20 "[ * ** *** * .* -** * +* * 3 * * ** *]"
104 . 1 53 SER N 1 53 SER CA 1 53 SER CB 1 53 SER OG -120.00 0.00 -109.26 156.49 123.04 116.96 20 24 "[** ** - 1 * . *+** ******** * ** ***]"
105 . 1 54 THR N 1 54 THR CA 1 54 THR CB 1 54 THR CG2 120.00 -120.00 -159.69 149.50 -122.01 . . 0 "[ . 1 . 2 . 3 . 4]"
106 . 1 57 TRP N 1 57 TRP CA 1 57 TRP CB 1 57 TRP CG 120.00 -120.00 -153.79 -175.34 -140.38 . . 0 "[ . 1 . 2 . 3 . 4]"
107 . 1 64 CYS N 1 64 CYS CA 1 64 CYS CB 1 64 CYS SG 120.00 -120.00 -170.54 174.86 171.78 . . 0 "[ . 1 . 2 . 3 . 4]"
108 . 1 50 LEU CA 1 50 LEU C 1 51 PRO N 1 51 PRO CA 175.00 -175.00 179.99 179.82 -179.89 . . 0 "[ . 1 . 2 . 3 . 4]"
109 . 1 57 TRP CA 1 57 TRP C 1 58 PRO N 1 58 PRO CA -5.00 5.00 -5.98 -9.02 0.56 4.02 14 0 "[ . 1 . 2 . 3 . 4]"
110 . 1 59 LEU CA 1 59 LEU C 1 60 PRO N 1 60 PRO CA 175.00 -175.00 179.97 179.79 -179.90 . . 0 "[ . 1 . 2 . 3 . 4]"
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