NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
403515 |
1wkt   |
5255 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1wkt
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 205
_TA_constraint_stats_list.Viol_count 499
_TA_constraint_stats_list.Viol_total 12020.63
_TA_constraint_stats_list.Viol_max 2.73
_TA_constraint_stats_list.Viol_rms 0.42
_TA_constraint_stats_list.Viol_average_all_restraints 0.15
_TA_constraint_stats_list.Viol_average_violations_only 1.20
_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 PHI 1 1 GLY C 1 2 ASP N 1 2 ASP CA 1 2 ASP C 65.00 -65.00 94.33 178.78 74.08 1.81 16 0 "[ . 1 . 2]"
2 PSI 1 2 ASP N 1 2 ASP CA 1 2 ASP C 1 3 GLY N -105.00 125.00 10.70 -74.37 126.62 1.62 1 0 "[ . 1 . 2]"
3 CHI1 1 2 ASP N 1 2 ASP CA 1 2 ASP CB 1 2 ASP CG -115.00 165.00 -92.69 45.68 -21.28 2.24 14 0 "[ . 1 . 2]"
4 PHI 1 3 GLY C 1 4 TYR N 1 4 TYR CA 1 4 TYR C 55.00 -85.00 -155.42 -152.99 -159.28 0.72 6 0 "[ . 1 . 2]"
5 PSI 1 4 TYR N 1 4 TYR CA 1 4 TYR C 1 5 LEU N 145.00 -175.00 171.89 165.79 160.67 0.84 18 0 "[ . 1 . 2]"
6 CHI1 1 4 TYR N 1 4 TYR CA 1 4 TYR CB 1 4 TYR CG -5.00 45.00 43.85 43.76 41.12 1.80 13 0 "[ . 1 . 2]"
7 PHI 1 4 TYR C 1 5 LEU N 1 5 LEU CA 1 5 LEU C 35.00 -65.00 -140.13 -158.41 -116.80 . . 0 "[ . 1 . 2]"
8 PSI 1 5 LEU N 1 5 LEU CA 1 5 LEU C 1 6 ILE N 55.00 175.00 108.48 82.28 60.19 . . 0 "[ . 1 . 2]"
9 PHI 1 5 LEU C 1 6 ILE N 1 6 ILE CA 1 6 ILE C -155.00 -85.00 -129.11 -153.10 -94.22 . . 0 "[ . 1 . 2]"
10 PSI 1 6 ILE N 1 6 ILE CA 1 6 ILE C 1 7 MET N 55.00 -175.00 160.66 111.23 175.98 . . 0 "[ . 1 . 2]"
11 CHI1 1 6 ILE N 1 6 ILE CA 1 6 ILE CB 1 6 ILE CG1 -5.00 -115.00 52.66 55.05 52.93 . . 0 "[ . 1 . 2]"
12 PHI 1 6 ILE C 1 7 MET N 1 7 MET CA 1 7 MET C -145.00 -35.00 -111.31 -129.32 -136.58 . . 0 "[ . 1 . 2]"
13 PSI 1 7 MET N 1 7 MET CA 1 7 MET C 1 8 CYS N 115.00 175.00 155.11 167.94 166.89 0.70 20 0 "[ . 1 . 2]"
14 CHI1 1 7 MET N 1 7 MET CA 1 7 MET CB 1 7 MET CG -5.00 95.00 59.26 83.12 75.41 1.45 19 0 "[ . 1 . 2]"
15 PHI 1 7 MET C 1 8 CYS N 1 8 CYS CA 1 8 CYS C -155.00 -85.00 -138.87 -156.05 -103.09 1.05 2 0 "[ . 1 . 2]"
16 PSI 1 8 CYS N 1 8 CYS CA 1 8 CYS C 1 9 LYS N 135.00 -175.00 160.43 165.49 164.71 . . 0 "[ . 1 . 2]"
17 CHI1 1 8 CYS N 1 8 CYS CA 1 8 CYS CB 1 8 CYS SG -95.00 95.00 -68.03 -95.84 -56.04 0.84 17 0 "[ . 1 . 2]"
18 PHI 1 8 CYS C 1 9 LYS N 1 9 LYS CA 1 9 LYS C -85.00 -45.00 -75.04 -86.14 -52.99 1.14 4 0 "[ . 1 . 2]"
19 PSI 1 9 LYS N 1 9 LYS CA 1 9 LYS C 1 10 ASN N -95.00 5.00 -26.62 -24.61 -28.97 . . 0 "[ . 1 . 2]"
20 CHI1 1 9 LYS N 1 9 LYS CA 1 9 LYS CB 1 9 LYS CG -95.00 95.00 -20.32 49.25 -33.05 1.89 17 0 "[ . 1 . 2]"
21 PHI 1 9 LYS C 1 10 ASN N 1 10 ASN CA 1 10 ASN C 35.00 -55.00 -140.30 -164.15 -121.37 . . 0 "[ . 1 . 2]"
22 PSI 1 10 ASN N 1 10 ASN CA 1 10 ASN C 1 11 CYS N 155.00 -135.00 -175.14 167.73 -165.90 . . 0 "[ . 1 . 2]"
23 CHI1 1 10 ASN N 1 10 ASN CA 1 10 ASN CB 1 10 ASN CG -5.00 95.00 66.59 73.00 71.05 . . 0 "[ . 1 . 2]"
24 PHI 1 10 ASN C 1 11 CYS N 1 11 CYS CA 1 11 CYS C -165.00 -65.00 -83.20 -90.27 -92.13 . . 0 "[ . 1 . 2]"
25 PSI 1 11 CYS N 1 11 CYS CA 1 11 CYS C 1 12 ASP N 5.00 -135.00 5.79 3.57 3.46 1.77 17 0 "[ . 1 . 2]"
26 CHI1 1 11 CYS N 1 11 CYS CA 1 11 CYS CB 1 11 CYS SG 145.00 -155.00 -172.65 -173.10 -176.81 . . 0 "[ . 1 . 2]"
27 PHI 1 11 CYS C 1 12 ASP N 1 12 ASP CA 1 12 ASP C -145.00 -65.00 -120.43 -138.02 -139.94 . . 0 "[ . 1 . 2]"
28 PSI 1 12 ASP N 1 12 ASP CA 1 12 ASP C 1 13 PRO N -105.00 -135.00 105.24 88.71 130.12 . . 0 "[ . 1 . 2]"
29 CHI1 1 12 ASP N 1 12 ASP CA 1 12 ASP CB 1 12 ASP CG 135.00 -125.00 -174.87 -177.15 179.03 . . 0 "[ . 1 . 2]"
30 PHI 1 13 PRO C 1 14 ASN N 1 14 ASN CA 1 14 ASN C -145.00 -65.00 -68.56 -64.01 -64.22 1.53 7 0 "[ . 1 . 2]"
31 PSI 1 14 ASN N 1 14 ASN CA 1 14 ASN C 1 15 THR N -145.00 -5.00 -47.19 -42.64 -44.12 . . 0 "[ . 1 . 2]"
32 CHI1 1 14 ASN N 1 14 ASN CA 1 14 ASN CB 1 14 ASN CG 135.00 -135.00 -170.80 153.74 -150.47 . . 0 "[ . 1 . 2]"
33 PHI 1 14 ASN C 1 15 THR N 1 15 THR CA 1 15 THR C -155.00 -105.00 -119.48 -111.72 -113.97 1.19 7 0 "[ . 1 . 2]"
34 PSI 1 15 THR N 1 15 THR CA 1 15 THR C 1 16 GLY N 15.00 45.00 17.05 14.12 13.96 1.78 14 0 "[ . 1 . 2]"
35 PHI 1 16 GLY C 1 17 SER N 1 17 SER CA 1 17 SER C 45.00 -65.00 -15.92 -65.32 -69.21 1.25 16 0 "[ . 1 . 2]"
36 PSI 1 17 SER N 1 17 SER CA 1 17 SER C 1 18 CYS N 95.00 -175.00 111.90 110.75 94.59 1.85 12 0 "[ . 1 . 2]"
37 PHI 1 17 SER C 1 18 CYS N 1 18 CYS CA 1 18 CYS C -135.00 -65.00 -119.06 -136.58 -77.53 1.58 19 0 "[ . 1 . 2]"
38 PSI 1 18 CYS N 1 18 CYS CA 1 18 CYS C 1 19 ASP N 135.00 -175.00 151.24 157.21 152.72 . . 0 "[ . 1 . 2]"
39 CHI1 1 18 CYS N 1 18 CYS CA 1 18 CYS CB 1 18 CYS SG -95.00 95.00 -64.67 -96.49 -49.13 1.49 15 0 "[ . 1 . 2]"
40 PHI 1 18 CYS C 1 19 ASP N 1 19 ASP CA 1 19 ASP C -95.00 55.00 -88.81 -96.35 -69.18 1.35 14 0 "[ . 1 . 2]"
41 PSI 1 19 ASP N 1 19 ASP CA 1 19 ASP C 1 20 TRP N 95.00 -135.00 101.80 92.69 162.10 2.31 7 0 "[ . 1 . 2]"
42 CHI1 1 19 ASP N 1 19 ASP CA 1 19 ASP CB 1 19 ASP CG 15.00 135.00 60.26 39.65 98.92 . . 0 "[ . 1 . 2]"
43 PHI 1 19 ASP C 1 20 TRP N 1 20 TRP CA 1 20 TRP C 35.00 -85.00 -89.16 -90.23 -103.71 2.26 19 0 "[ . 1 . 2]"
44 PSI 1 20 TRP N 1 20 TRP CA 1 20 TRP C 1 21 LYS N 35.00 85.00 50.45 35.78 59.84 . . 0 "[ . 1 . 2]"
45 CHI1 1 20 TRP N 1 20 TRP CA 1 20 TRP CB 1 20 TRP CG 145.00 15.00 -60.19 -59.03 -60.25 . . 0 "[ . 1 . 2]"
46 PHI 1 20 TRP C 1 21 LYS N 1 21 LYS CA 1 21 LYS C -165.00 55.00 -102.15 -127.53 -68.46 . . 0 "[ . 1 . 2]"
47 PSI 1 21 LYS N 1 21 LYS CA 1 21 LYS C 1 22 GLN N 55.00 -175.00 172.17 167.34 165.72 0.90 16 0 "[ . 1 . 2]"
48 CHI1 1 21 LYS N 1 21 LYS CA 1 21 LYS CB 1 21 LYS CG 105.00 -105.00 -113.96 -162.45 -103.18 1.82 3 0 "[ . 1 . 2]"
49 PHI 1 21 LYS C 1 22 GLN N 1 22 GLN CA 1 22 GLN C -145.00 -65.00 -67.84 -66.98 -69.73 1.62 11 0 "[ . 1 . 2]"
50 PSI 1 22 GLN N 1 22 GLN CA 1 22 GLN C 1 23 ASN N 145.00 175.00 144.85 144.08 143.86 2.06 14 0 "[ . 1 . 2]"
51 CHI1 1 22 GLN N 1 22 GLN CA 1 22 GLN CB 1 22 GLN CG 145.00 -135.00 -169.15 -168.70 -170.55 . . 0 "[ . 1 . 2]"
52 PHI 1 22 GLN C 1 23 ASN N 1 23 ASN CA 1 23 ASN C -145.00 -95.00 -137.44 -125.27 -129.82 1.88 14 0 "[ . 1 . 2]"
53 PSI 1 23 ASN N 1 23 ASN CA 1 23 ASN C 1 24 TRP N -45.00 55.00 -9.38 -8.30 -12.24 . . 0 "[ . 1 . 2]"
54 CHI1 1 23 ASN N 1 23 ASN CA 1 23 ASN CB 1 23 ASN CG -165.00 165.00 -30.44 44.96 -25.32 . . 0 "[ . 1 . 2]"
55 PHI 1 23 ASN C 1 24 TRP N 1 24 TRP CA 1 24 TRP C -155.00 45.00 -89.15 -58.78 -77.62 . . 0 "[ . 1 . 2]"
56 PSI 1 24 TRP N 1 24 TRP CA 1 24 TRP C 1 25 ASN N 35.00 -165.00 129.14 33.57 -162.95 2.05 8 0 "[ . 1 . 2]"
57 CHI1 1 24 TRP N 1 24 TRP CA 1 24 TRP CB 1 24 TRP CG 105.00 -95.00 -155.82 137.09 -92.78 2.22 12 0 "[ . 1 . 2]"
58 PHI 1 24 TRP C 1 25 ASN N 1 25 ASN CA 1 25 ASN C 35.00 -35.00 47.77 -68.31 -141.72 1.54 20 0 "[ . 1 . 2]"
59 PSI 1 25 ASN N 1 25 ASN CA 1 25 ASN C 1 26 THR N -105.00 115.00 41.98 53.92 47.68 . . 0 "[ . 1 . 2]"
60 CHI1 1 25 ASN N 1 25 ASN CA 1 25 ASN CB 1 25 ASN CG 145.00 15.00 -117.77 -86.94 -106.06 . . 0 "[ . 1 . 2]"
61 PHI 1 25 ASN C 1 26 THR N 1 26 THR CA 1 26 THR C 45.00 -75.00 -151.54 -141.93 -143.32 . . 0 "[ . 1 . 2]"
62 PSI 1 26 THR N 1 26 THR CA 1 26 THR C 1 27 CYS N 105.00 -175.00 157.82 124.35 -173.44 1.56 4 0 "[ . 1 . 2]"
63 CHI1 1 26 THR N 1 26 THR CA 1 26 THR CB 1 26 THR OG1 -15.00 -105.00 -179.84 -4.49 -103.35 1.65 15 0 "[ . 1 . 2]"
64 PHI 1 26 THR C 1 27 CYS N 1 27 CYS CA 1 27 CYS C -165.00 45.00 -91.59 -75.30 -77.78 . . 0 "[ . 1 . 2]"
65 PSI 1 27 CYS N 1 27 CYS CA 1 27 CYS C 1 28 VAL N 55.00 175.00 87.45 81.87 77.76 0.39 17 0 "[ . 1 . 2]"
66 CHI1 1 27 CYS N 1 27 CYS CA 1 27 CYS CB 1 27 CYS SG 145.00 -145.00 -172.87 -176.34 -179.47 . . 0 "[ . 1 . 2]"
67 PHI 1 27 CYS C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -155.00 -85.00 -100.78 -84.80 -92.64 1.37 2 0 "[ . 1 . 2]"
68 PSI 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 GLY N 65.00 165.00 135.58 104.12 163.94 . . 0 "[ . 1 . 2]"
69 CHI1 1 28 VAL N 1 28 VAL CA 1 28 VAL CB 1 28 VAL CG1 135.00 -135.00 178.21 150.44 -161.59 . . 0 "[ . 1 . 2]"
70 PHI 1 29 GLY C 1 30 ILE N 1 30 ILE CA 1 30 ILE C -155.00 -85.00 -114.33 -128.27 -131.81 1.29 16 0 "[ . 1 . 2]"
71 PSI 1 30 ILE N 1 30 ILE CA 1 30 ILE C 1 31 GLY N 65.00 165.00 157.01 135.44 166.52 1.52 3 0 "[ . 1 . 2]"
72 CHI1 1 30 ILE N 1 30 ILE CA 1 30 ILE CB 1 30 ILE CG1 -105.00 -15.00 -57.27 -80.71 -23.30 . . 0 "[ . 1 . 2]"
73 PHI 1 31 GLY C 1 32 ALA N 1 32 ALA CA 1 32 ALA C 35.00 95.00 63.86 34.02 91.32 0.98 14 0 "[ . 1 . 2]"
74 PSI 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1 33 ASN N 65.00 125.00 80.93 64.80 100.90 0.20 9 0 "[ . 1 . 2]"
75 PHI 1 32 ALA C 1 33 ASN N 1 33 ASN CA 1 33 ASN C 35.00 95.00 64.54 47.41 80.61 . . 0 "[ . 1 . 2]"
76 PSI 1 33 ASN N 1 33 ASN CA 1 33 ASN C 1 34 VAL N 5.00 85.00 10.10 2.87 26.12 2.13 2 0 "[ . 1 . 2]"
77 CHI1 1 33 ASN N 1 33 ASN CA 1 33 ASN CB 1 33 ASN CG -165.00 165.00 -39.76 -51.62 -53.23 . . 0 "[ . 1 . 2]"
78 PHI 1 33 ASN C 1 34 VAL N 1 34 VAL CA 1 34 VAL C -135.00 -75.00 -93.62 -86.51 -89.00 1.55 16 0 "[ . 1 . 2]"
79 PSI 1 34 VAL N 1 34 VAL CA 1 34 VAL C 1 35 HIS N 45.00 -175.00 108.04 97.32 126.48 . . 0 "[ . 1 . 2]"
80 CHI1 1 34 VAL N 1 34 VAL CA 1 34 VAL CB 1 34 VAL CG1 135.00 -165.00 171.91 145.32 -178.50 . . 0 "[ . 1 . 2]"
81 PHI 1 34 VAL C 1 35 HIS N 1 35 HIS CA 1 35 HIS C -145.00 -95.00 -145.39 -146.35 -146.37 1.75 19 0 "[ . 1 . 2]"
82 PSI 1 35 HIS N 1 35 HIS CA 1 35 HIS C 1 36 TRP N -5.00 45.00 32.15 33.40 30.25 . . 0 "[ . 1 . 2]"
83 CHI1 1 35 HIS N 1 35 HIS CA 1 35 HIS CB 1 35 HIS CG -165.00 95.00 67.07 79.97 72.33 . . 0 "[ . 1 . 2]"
84 PHI 1 35 HIS C 1 36 TRP N 1 36 TRP CA 1 36 TRP C -145.00 -95.00 -139.14 -136.43 -137.48 0.42 11 0 "[ . 1 . 2]"
85 PSI 1 36 TRP N 1 36 TRP CA 1 36 TRP C 1 37 MET N 115.00 175.00 124.04 113.51 143.23 1.49 9 0 "[ . 1 . 2]"
86 CHI1 1 36 TRP N 1 36 TRP CA 1 36 TRP CB 1 36 TRP CG -95.00 95.00 -65.18 -71.29 -56.33 . . 0 "[ . 1 . 2]"
87 PHI 1 36 TRP C 1 37 MET N 1 37 MET CA 1 37 MET C -155.00 -85.00 -93.89 -116.83 -83.54 1.46 8 0 "[ . 1 . 2]"
88 PSI 1 37 MET N 1 37 MET CA 1 37 MET C 1 38 VAL N 115.00 175.00 133.32 123.23 113.88 1.12 1 0 "[ . 1 . 2]"
89 CHI1 1 37 MET N 1 37 MET CA 1 37 MET CB 1 37 MET CG 145.00 -145.00 -173.32 171.78 -163.05 . . 0 "[ . 1 . 2]"
90 PHI 1 37 MET C 1 38 VAL N 1 38 VAL CA 1 38 VAL C -155.00 -85.00 -130.48 -141.12 -118.98 . . 0 "[ . 1 . 2]"
91 PSI 1 38 VAL N 1 38 VAL CA 1 38 VAL C 1 39 THR N 55.00 175.00 112.80 111.43 101.54 . . 0 "[ . 1 . 2]"
92 CHI1 1 38 VAL N 1 38 VAL CA 1 38 VAL CB 1 38 VAL CG1 135.00 -135.00 -164.11 -168.35 -170.13 . . 0 "[ . 1 . 2]"
93 PHI 1 38 VAL C 1 39 THR N 1 39 THR CA 1 39 THR C -145.00 -95.00 -111.79 -146.35 -93.60 1.40 15 0 "[ . 1 . 2]"
94 PSI 1 39 THR N 1 39 THR CA 1 39 THR C 1 40 GLY N 45.00 -175.00 140.30 45.37 -173.92 1.08 18 0 "[ . 1 . 2]"
95 CHI1 1 39 THR N 1 39 THR CA 1 39 THR CB 1 39 THR OG1 -5.00 -115.00 153.06 24.85 -155.87 . . 0 "[ . 1 . 2]"
96 PHI 1 41 GLY C 1 42 SER N 1 42 SER CA 1 42 SER C -175.00 65.00 -80.10 -176.52 66.56 1.56 7 0 "[ . 1 . 2]"
97 PSI 1 42 SER N 1 42 SER CA 1 42 SER C 1 43 THR N 95.00 15.00 -119.32 92.78 -56.78 2.22 14 0 "[ . 1 . 2]"
98 CHI1 1 42 SER N 1 42 SER CA 1 42 SER CB 1 42 SER OG 85.00 35.00 -95.16 36.25 -25.58 1.38 12 0 "[ . 1 . 2]"
99 PHI 1 42 SER C 1 43 THR N 1 43 THR CA 1 43 THR C 45.00 -75.00 -162.21 -90.65 -112.08 0.93 2 0 "[ . 1 . 2]"
100 PSI 1 43 THR N 1 43 THR CA 1 43 THR C 1 44 ASP N -95.00 85.00 -44.25 -89.36 46.15 . . 0 "[ . 1 . 2]"
101 CHI1 1 43 THR N 1 43 THR CA 1 43 THR CB 1 43 THR OG1 -5.00 -115.00 77.05 147.84 56.16 1.83 14 0 "[ . 1 . 2]"
102 PHI 1 43 THR C 1 44 ASP N 1 44 ASP CA 1 44 ASP C 175.00 65.00 -92.78 -171.06 58.80 . . 0 "[ . 1 . 2]"
103 PSI 1 44 ASP N 1 44 ASP CA 1 44 ASP C 1 45 GLY N 35.00 -165.00 99.67 33.18 -176.59 1.82 7 0 "[ . 1 . 2]"
104 CHI1 1 44 ASP N 1 44 ASP CA 1 44 ASP CB 1 44 ASP CG 75.00 35.00 -169.96 -170.45 -176.42 2.49 15 0 "[ . 1 . 2]"
105 PHI 1 45 GLY C 1 46 LYS N 1 46 LYS CA 1 46 LYS C 35.00 -65.00 -45.16 52.96 -63.65 1.35 18 0 "[ . 1 . 2]"
106 PSI 1 46 LYS N 1 46 LYS CA 1 46 LYS C 1 47 GLN N 45.00 -175.00 138.90 131.68 107.06 1.72 18 0 "[ . 1 . 2]"
107 PHI 1 46 LYS C 1 47 GLN N 1 47 GLN CA 1 47 GLN C -85.00 -45.00 -55.37 -69.92 -43.61 1.39 18 0 "[ . 1 . 2]"
108 PSI 1 47 GLN N 1 47 GLN CA 1 47 GLN C 1 48 GLY N 145.00 175.00 151.67 143.26 169.69 1.74 11 0 "[ . 1 . 2]"
109 CHI1 1 47 GLN N 1 47 GLN CA 1 47 GLN CB 1 47 GLN CG 45.00 115.00 65.47 53.96 87.43 . . 0 "[ . 1 . 2]"
110 PHI 1 48 GLY C 1 49 CYS N 1 49 CYS CA 1 49 CYS C -145.00 -75.00 -132.52 -127.50 -129.86 . . 0 "[ . 1 . 2]"
111 PSI 1 49 CYS N 1 49 CYS CA 1 49 CYS C 1 50 ALA N 145.00 175.00 153.78 144.23 166.60 0.77 17 0 "[ . 1 . 2]"
112 CHI1 1 49 CYS N 1 49 CYS CA 1 49 CYS CB 1 49 CYS SG -75.00 -5.00 -56.65 -67.74 -46.13 . . 0 "[ . 1 . 2]"
113 PHI 1 49 CYS C 1 50 ALA N 1 50 ALA CA 1 50 ALA C 35.00 -75.00 -138.45 -155.90 -111.54 . . 0 "[ . 1 . 2]"
114 PSI 1 50 ALA N 1 50 ALA CA 1 50 ALA C 1 51 THR N 55.00 175.00 143.06 126.68 159.47 . . 0 "[ . 1 . 2]"
115 PHI 1 50 ALA C 1 51 THR N 1 51 THR CA 1 51 THR C -155.00 -85.00 -85.59 -99.98 -83.23 1.77 4 0 "[ . 1 . 2]"
116 PSI 1 51 THR N 1 51 THR CA 1 51 THR C 1 52 ILE N 55.00 175.00 122.21 109.20 144.54 . . 0 "[ . 1 . 2]"
117 CHI1 1 51 THR N 1 51 THR CA 1 51 THR CB 1 51 THR OG1 -105.00 -25.00 -56.39 -68.12 -43.10 . . 0 "[ . 1 . 2]"
118 PHI 1 51 THR C 1 52 ILE N 1 52 ILE CA 1 52 ILE C -155.00 -55.00 -103.76 -97.19 -99.47 . . 0 "[ . 1 . 2]"
119 PSI 1 52 ILE N 1 52 ILE CA 1 52 ILE C 1 53 TRP N 115.00 175.00 146.00 136.98 128.35 . . 0 "[ . 1 . 2]"
120 CHI1 1 52 ILE N 1 52 ILE CA 1 52 ILE CB 1 52 ILE CG1 -105.00 -35.00 -51.22 -71.41 -37.31 . . 0 "[ . 1 . 2]"
121 PHI 1 52 ILE C 1 53 TRP N 1 53 TRP CA 1 53 TRP C 45.00 -75.00 -126.92 -139.80 -111.13 . . 0 "[ . 1 . 2]"
122 PSI 1 53 TRP N 1 53 TRP CA 1 53 TRP C 1 54 GLU N 55.00 175.00 154.49 143.72 160.98 . . 0 "[ . 1 . 2]"
123 PHI 1 53 TRP C 1 54 GLU N 1 54 GLU CA 1 54 GLU C 165.00 -45.00 -78.26 -97.90 -53.86 . . 0 "[ . 1 . 2]"
124 PSI 1 54 GLU N 1 54 GLU CA 1 54 GLU C 1 55 GLY N -105.00 -35.00 -42.10 -40.81 -44.28 1.38 20 0 "[ . 1 . 2]"
125 CHI1 1 54 GLU N 1 54 GLU CA 1 54 GLU CB 1 54 GLU CG 145.00 5.00 179.55 163.96 161.18 . . 0 "[ . 1 . 2]"
126 PHI 1 55 GLY C 1 56 SER N 1 56 SER CA 1 56 SER C 35.00 -45.00 -60.93 -70.57 -76.17 2.71 18 0 "[ . 1 . 2]"
127 PSI 1 56 SER N 1 56 SER CA 1 56 SER C 1 57 GLY N 55.00 -175.00 94.27 53.98 151.68 1.02 3 0 "[ . 1 . 2]"
128 PHI 1 57 GLY C 1 58 CYS N 1 58 CYS CA 1 58 CYS C 35.00 175.00 71.88 43.29 168.94 . . 0 "[ . 1 . 2]"
129 PSI 1 58 CYS N 1 58 CYS CA 1 58 CYS C 1 59 VAL N 25.00 95.00 48.84 34.40 69.25 . . 0 "[ . 1 . 2]"
130 CHI1 1 58 CYS N 1 58 CYS CA 1 58 CYS CB 1 58 CYS SG -5.00 135.00 60.46 23.26 75.76 . . 0 "[ . 1 . 2]"
131 PHI 1 58 CYS C 1 59 VAL N 1 59 VAL CA 1 59 VAL C -125.00 -95.00 -125.01 -126.27 -118.63 1.27 19 0 "[ . 1 . 2]"
132 PSI 1 59 VAL N 1 59 VAL CA 1 59 VAL C 1 60 GLY N 155.00 175.00 176.40 176.21 176.03 1.86 2 0 "[ . 1 . 2]"
133 CHI1 1 59 VAL N 1 59 VAL CA 1 59 VAL CB 1 59 VAL CG1 -75.00 -35.00 -72.18 -72.61 -73.87 1.58 8 0 "[ . 1 . 2]"
134 PHI 1 60 GLY C 1 61 ARG N 1 61 ARG CA 1 61 ARG C 35.00 -45.00 -74.21 -70.19 -71.28 . . 0 "[ . 1 . 2]"
135 PSI 1 61 ARG N 1 61 ARG CA 1 61 ARG C 1 62 SER N 55.00 175.00 150.53 128.36 160.69 . . 0 "[ . 1 . 2]"
136 PHI 1 61 ARG C 1 62 SER N 1 62 SER CA 1 62 SER C 55.00 -85.00 -141.50 -141.75 -143.73 . . 0 "[ . 1 . 2]"
137 PSI 1 62 SER N 1 62 SER CA 1 62 SER C 1 63 THR N 145.00 175.00 162.40 164.37 161.34 0.76 18 0 "[ . 1 . 2]"
138 CHI1 1 62 SER N 1 62 SER CA 1 62 SER CB 1 62 SER OG -25.00 45.00 30.65 -5.68 46.39 1.39 12 0 "[ . 1 . 2]"
139 PHI 1 62 SER C 1 63 THR N 1 63 THR CA 1 63 THR C 45.00 -75.00 -143.08 -160.56 -110.27 . . 0 "[ . 1 . 2]"
140 PSI 1 63 THR N 1 63 THR CA 1 63 THR C 1 64 THR N 15.00 -145.00 145.41 110.36 -175.41 . . 0 "[ . 1 . 2]"
141 CHI1 1 63 THR N 1 63 THR CA 1 63 THR CB 1 63 THR OG1 -5.00 -115.00 177.54 -174.54 -176.69 1.00 7 0 "[ . 1 . 2]"
142 PHI 1 63 THR C 1 64 THR N 1 64 THR CA 1 64 THR C 35.00 -35.00 -90.49 -91.17 -103.35 . . 0 "[ . 1 . 2]"
143 PSI 1 64 THR N 1 64 THR CA 1 64 THR C 1 65 MET N 55.00 -175.00 109.85 80.37 136.86 . . 0 "[ . 1 . 2]"
144 PHI 1 64 THR C 1 65 MET N 1 65 MET CA 1 65 MET C -155.00 -85.00 -100.73 -91.34 -104.06 1.42 11 0 "[ . 1 . 2]"
145 PSI 1 65 MET N 1 65 MET CA 1 65 MET C 1 66 CYS N 55.00 175.00 122.57 83.92 144.81 . . 0 "[ . 1 . 2]"
146 CHI1 1 65 MET N 1 65 MET CA 1 65 MET CB 1 65 MET CG 145.00 -145.00 -167.06 173.65 -153.54 . . 0 "[ . 1 . 2]"
147 PHI 1 65 MET C 1 66 CYS N 1 66 CYS CA 1 66 CYS C -155.00 -85.00 -110.72 -98.09 -101.46 1.00 15 0 "[ . 1 . 2]"
148 PSI 1 66 CYS N 1 66 CYS CA 1 66 CYS C 1 67 CYS N 135.00 175.00 144.83 134.27 154.65 0.73 12 0 "[ . 1 . 2]"
149 CHI1 1 66 CYS N 1 66 CYS CA 1 66 CYS CB 1 66 CYS SG -95.00 95.00 -75.29 -77.47 -78.72 . . 0 "[ . 1 . 2]"
150 PHI 1 66 CYS C 1 67 CYS N 1 67 CYS CA 1 67 CYS C -155.00 -75.00 -145.17 -155.53 -131.60 0.53 17 0 "[ . 1 . 2]"
151 PSI 1 67 CYS N 1 67 CYS CA 1 67 CYS C 1 68 PRO N -105.00 -135.00 128.33 108.31 143.73 . . 0 "[ . 1 . 2]"
152 CHI1 1 67 CYS N 1 67 CYS CA 1 67 CYS CB 1 67 CYS SG 145.00 -145.00 -167.90 -177.61 -148.95 . . 0 "[ . 1 . 2]"
153 PHI 1 68 PRO C 1 69 ALA N 1 69 ALA CA 1 69 ALA C 45.00 -75.00 -76.50 -79.74 -84.80 1.98 19 0 "[ . 1 . 2]"
154 PSI 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 ASN N 55.00 175.00 141.35 53.39 175.24 1.61 7 0 "[ . 1 . 2]"
155 PHI 1 69 ALA C 1 70 ASN N 1 70 ASN CA 1 70 ASN C 35.00 -85.00 65.88 74.11 63.16 1.05 13 0 "[ . 1 . 2]"
156 PSI 1 70 ASN N 1 70 ASN CA 1 70 ASN C 1 71 THR N 15.00 105.00 48.46 14.24 64.74 0.76 12 0 "[ . 1 . 2]"
157 CHI1 1 70 ASN N 1 70 ASN CA 1 70 ASN CB 1 70 ASN CG -165.00 135.00 -58.50 -57.57 -65.80 . . 0 "[ . 1 . 2]"
158 PHI 1 70 ASN C 1 71 THR N 1 71 THR CA 1 71 THR C -155.00 -85.00 -144.68 -156.31 -104.98 1.31 11 0 "[ . 1 . 2]"
159 PSI 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 CYS N -105.00 -135.00 150.11 165.73 160.18 . . 0 "[ . 1 . 2]"
160 CHI1 1 71 THR N 1 71 THR CA 1 71 THR CB 1 71 THR OG1 135.00 15.00 -100.57 -164.58 -40.59 . . 0 "[ . 1 . 2]"
161 PHI 1 71 THR C 1 72 CYS N 1 72 CYS CA 1 72 CYS C -165.00 -75.00 -99.32 -132.29 -73.93 1.07 5 0 "[ . 1 . 2]"
162 PSI 1 72 CYS N 1 72 CYS CA 1 72 CYS C 1 73 CYS N 115.00 165.00 129.31 122.78 120.64 1.15 20 0 "[ . 1 . 2]"
163 CHI1 1 72 CYS N 1 72 CYS CA 1 72 CYS CB 1 72 CYS SG 145.00 -145.00 153.13 152.44 148.61 1.56 13 0 "[ . 1 . 2]"
164 PHI 1 72 CYS C 1 73 CYS N 1 73 CYS CA 1 73 CYS C -155.00 -85.00 -127.20 -122.26 -127.06 . . 0 "[ . 1 . 2]"
165 PSI 1 73 CYS N 1 73 CYS CA 1 73 CYS C 1 74 ASN N 55.00 175.00 117.58 113.28 106.01 . . 0 "[ . 1 . 2]"
166 CHI1 1 73 CYS N 1 73 CYS CA 1 73 CYS CB 1 73 CYS SG -165.00 95.00 -53.53 -19.51 -33.29 . . 0 "[ . 1 . 2]"
167 PHI 1 73 CYS C 1 74 ASN N 1 74 ASN CA 1 74 ASN C 35.00 -35.00 -76.98 -66.47 -67.67 . . 0 "[ . 1 . 2]"
168 PSI 1 74 ASN N 1 74 ASN CA 1 74 ASN C 1 75 ILE N 55.00 175.00 119.22 114.80 113.89 . . 0 "[ . 1 . 2]"
169 PHI 1 74 ASN C 1 75 ILE N 1 75 ILE CA 1 75 ILE C -165.00 -75.00 -86.70 -102.42 -74.07 0.93 9 0 "[ . 1 . 2]"
170 PSI 1 75 ILE N 1 75 ILE CA 1 75 ILE C 1 76 ASN N 55.00 -175.00 104.08 111.59 107.67 . . 0 "[ . 1 . 2]"
171 CHI1 1 75 ILE N 1 75 ILE CA 1 75 ILE CB 1 75 ILE CG1 -105.00 -25.00 -81.97 -94.33 -43.30 . . 0 "[ . 1 . 2]"
172 PHI 1 75 ILE C 1 76 ASN N 1 76 ASN CA 1 76 ASN C 35.00 -35.00 -149.21 141.66 -110.57 . . 0 "[ . 1 . 2]"
173 PSI 1 76 ASN N 1 76 ASN CA 1 76 ASN C 1 77 THR N 65.00 165.00 93.77 65.57 158.08 . . 0 "[ . 1 . 2]"
174 CHI1 1 76 ASN N 1 76 ASN CA 1 76 ASN CB 1 76 ASN CG 145.00 15.00 -138.04 174.17 16.21 1.21 14 0 "[ . 1 . 2]"
175 PHI 1 76 ASN C 1 77 THR N 1 77 THR CA 1 77 THR C 45.00 -75.00 -91.33 -89.16 -112.45 1.57 12 0 "[ . 1 . 2]"
176 PSI 1 77 THR N 1 77 THR CA 1 77 THR C 1 78 GLY N -5.00 -135.00 -176.43 -6.52 -150.10 1.52 20 0 "[ . 1 . 2]"
177 CHI1 1 77 THR N 1 77 THR CA 1 77 THR CB 1 77 THR OG1 -5.00 -115.00 46.64 -113.32 81.28 2.73 3 0 "[ . 1 . 2]"
178 PHI 1 78 GLY C 1 79 PHE N 1 79 PHE CA 1 79 PHE C -145.00 -75.00 -110.38 -119.28 -125.89 1.34 1 0 "[ . 1 . 2]"
179 PSI 1 79 PHE N 1 79 PHE CA 1 79 PHE C 1 80 TYR N 155.00 -175.00 162.64 153.89 177.23 1.11 18 0 "[ . 1 . 2]"
180 CHI1 1 79 PHE N 1 79 PHE CA 1 79 PHE CB 1 79 PHE CG 15.00 55.00 47.46 33.76 25.28 1.09 3 0 "[ . 1 . 2]"
181 PHI 1 79 PHE C 1 80 TYR N 1 80 TYR CA 1 80 TYR C -85.00 -45.00 -76.29 -72.56 -73.74 1.20 6 0 "[ . 1 . 2]"
182 PSI 1 80 TYR N 1 80 TYR CA 1 80 TYR C 1 81 ILE N 135.00 175.00 137.46 133.24 158.45 1.76 8 0 "[ . 1 . 2]"
183 CHI1 1 80 TYR N 1 80 TYR CA 1 80 TYR CB 1 80 TYR CG 155.00 -145.00 178.07 165.64 -168.80 . . 0 "[ . 1 . 2]"
184 PHI 1 80 TYR C 1 81 ILE N 1 81 ILE CA 1 81 ILE C -155.00 75.00 -101.40 -97.37 -100.48 . . 0 "[ . 1 . 2]"
185 PSI 1 81 ILE N 1 81 ILE CA 1 81 ILE C 1 82 ARG N 125.00 -175.00 136.34 123.98 157.98 1.02 12 0 "[ . 1 . 2]"
186 CHI1 1 81 ILE N 1 81 ILE CA 1 81 ILE CB 1 81 ILE CG1 15.00 145.00 32.04 14.14 41.56 0.86 7 0 "[ . 1 . 2]"
187 PHI 1 81 ILE C 1 82 ARG N 1 82 ARG CA 1 82 ARG C -135.00 -105.00 -128.93 -126.21 -129.51 1.91 7 0 "[ . 1 . 2]"
188 PSI 1 82 ARG N 1 82 ARG CA 1 82 ARG C 1 83 SER N -85.00 45.00 -29.10 -46.97 -66.75 0.78 4 0 "[ . 1 . 2]"
189 PHI 1 82 ARG C 1 83 SER N 1 83 SER CA 1 83 SER C 45.00 -65.00 -140.39 -164.84 -82.12 . . 0 "[ . 1 . 2]"
190 PSI 1 83 SER N 1 83 SER CA 1 83 SER C 1 84 TYR N 125.00 -165.00 168.76 163.21 175.89 . . 0 "[ . 1 . 2]"
191 CHI1 1 83 SER N 1 83 SER CA 1 83 SER CB 1 83 SER OG -145.00 115.00 -15.34 -35.33 -37.53 . . 0 "[ . 1 . 2]"
192 PHI 1 83 SER C 1 84 TYR N 1 84 TYR CA 1 84 TYR C 45.00 -65.00 -156.70 -154.88 -155.82 . . 0 "[ . 1 . 2]"
193 PSI 1 84 TYR N 1 84 TYR CA 1 84 TYR C 1 85 ARG N 125.00 -175.00 166.80 157.68 179.53 . . 0 "[ . 1 . 2]"
194 CHI1 1 84 TYR N 1 84 TYR CA 1 84 TYR CB 1 84 TYR CG 15.00 115.00 77.43 80.98 77.14 . . 0 "[ . 1 . 2]"
195 PHI 1 84 TYR C 1 85 ARG N 1 85 ARG CA 1 85 ARG C 45.00 -75.00 -146.28 -140.20 -146.29 . . 0 "[ . 1 . 2]"
196 PSI 1 85 ARG N 1 85 ARG CA 1 85 ARG C 1 86 ARG N 125.00 -175.00 133.71 143.96 139.68 1.35 4 0 "[ . 1 . 2]"
197 CHI1 1 85 ARG N 1 85 ARG CA 1 85 ARG CB 1 85 ARG CG 145.00 15.00 -152.61 -103.89 -139.31 . . 0 "[ . 1 . 2]"
198 PHI 1 85 ARG C 1 86 ARG N 1 86 ARG CA 1 86 ARG C -175.00 55.00 -64.91 -76.98 -54.54 . . 0 "[ . 1 . 2]"
199 PSI 1 86 ARG N 1 86 ARG CA 1 86 ARG C 1 87 VAL N 55.00 175.00 144.29 115.87 166.40 . . 0 "[ . 1 . 2]"
200 CHI1 1 86 ARG N 1 86 ARG CA 1 86 ARG CB 1 86 ARG CG 25.00 -15.00 -153.68 -91.88 -144.38 . . 0 "[ . 1 . 2]"
201 PHI 1 86 ARG C 1 87 VAL N 1 87 VAL CA 1 87 VAL C -155.00 -85.00 -115.14 -131.62 -137.42 . . 0 "[ . 1 . 2]"
202 PSI 1 87 VAL N 1 87 VAL CA 1 87 VAL C 1 88 GLU N -105.00 -135.00 -29.83 -22.99 -28.23 . . 0 "[ . 1 . 2]"
203 CHI1 1 87 VAL N 1 87 VAL CA 1 87 VAL CB 1 87 VAL CG1 -105.00 115.00 -66.33 -78.87 116.90 1.90 13 0 "[ . 1 . 2]"
204 PHI 1 87 VAL C 1 88 GLU N 1 88 GLU CA 1 88 GLU C 35.00 -65.00 -160.61 147.71 88.83 . . 0 "[ . 1 . 2]"
205 CHI1 1 88 GLU N 1 88 GLU CA 1 88 GLU CB 1 88 GLU CG 5.00 -125.00 135.20 -125.69 -151.85 1.58 15 0 "[ . 1 . 2]"
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