NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
584577 |
2mlr   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2mlr
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 218
_TA_constraint_stats_list.Viol_count 121
_TA_constraint_stats_list.Viol_total 3601.82
_TA_constraint_stats_list.Viol_max 7.40
_TA_constraint_stats_list.Viol_rms 0.53
_TA_constraint_stats_list.Viol_average_all_restraints 0.08
_TA_constraint_stats_list.Viol_average_violations_only 2.13
_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 PSI 1 3 GLU N 1 3 GLU CA 1 3 GLU C 1 4 MET N 90.10 144.80 135.11 124.83 146.97 2.17 13 0 "[ . 1 ]"
2 PHI 1 3 GLU C 1 4 MET N 1 4 MET CA 1 4 MET C -158.50 -52.20 -76.25 -86.27 -93.62 . . 0 "[ . 1 ]"
3 PSI 1 4 MET N 1 4 MET CA 1 4 MET C 1 5 PRO N 71.70 177.10 139.27 141.70 139.07 . . 0 "[ . 1 ]"
4 PHI 1 11 ARG C 1 12 LYS N 1 12 LYS CA 1 12 LYS C -121.00 -54.40 -92.16 -122.56 -63.94 1.56 5 0 "[ . 1 ]"
5 PSI 1 12 LYS N 1 12 LYS CA 1 12 LYS C 1 13 HIS N 91.70 -146.90 148.37 148.21 145.66 . . 0 "[ . 1 ]"
6 PHI 1 13 HIS C 1 14 TYR N 1 14 TYR CA 1 14 TYR C -145.80 -63.00 -104.42 -120.20 -81.53 . . 0 "[ . 1 ]"
7 PSI 1 14 TYR N 1 14 TYR CA 1 14 TYR C 1 15 ILE N 73.70 140.90 105.30 80.69 140.17 . . 0 "[ . 1 ]"
8 PHI 1 14 TYR C 1 15 ILE N 1 15 ILE CA 1 15 ILE C -159.20 -70.20 -98.11 -87.67 -95.62 . . 0 "[ . 1 ]"
9 PSI 1 15 ILE N 1 15 ILE CA 1 15 ILE C 1 16 THR N 103.70 168.90 146.07 143.83 139.36 . . 0 "[ . 1 ]"
10 PHI 1 15 ILE C 1 16 THR N 1 16 THR CA 1 16 THR C -158.30 -87.70 -130.13 -142.17 -113.62 . . 0 "[ . 1 ]"
11 PSI 1 16 THR N 1 16 THR CA 1 16 THR C 1 17 TYR N 102.70 177.30 144.72 122.81 163.19 . . 0 "[ . 1 ]"
12 PHI 1 16 THR C 1 17 TYR N 1 17 TYR CA 1 17 TYR C -174.10 -105.00 -129.50 -120.33 -124.31 . . 0 "[ . 1 ]"
13 PSI 1 17 TYR N 1 17 TYR CA 1 17 TYR C 1 18 ARG N 122.10 172.40 162.81 163.31 159.17 0.81 12 0 "[ . 1 ]"
14 PHI 1 17 TYR C 1 18 ARG N 1 18 ARG CA 1 18 ARG C 163.60 -81.10 -142.03 -159.08 -125.49 . . 0 "[ . 1 ]"
15 PSI 1 18 ARG N 1 18 ARG CA 1 18 ARG C 1 19 ILE N 107.20 155.50 139.70 128.55 119.50 . . 0 "[ . 1 ]"
16 PHI 1 18 ARG C 1 19 ILE N 1 19 ILE CA 1 19 ILE C -113.10 -68.20 -94.32 -110.78 -81.81 . . 0 "[ . 1 ]"
17 PSI 1 19 ILE N 1 19 ILE CA 1 19 ILE C 1 20 ASN N 83.50 149.40 114.86 123.30 115.97 . . 0 "[ . 1 ]"
18 PHI 1 19 ILE C 1 20 ASN N 1 20 ASN CA 1 20 ASN C -117.00 -53.60 -71.37 -94.98 -60.74 . . 0 "[ . 1 ]"
19 PSI 1 20 ASN N 1 20 ASN CA 1 20 ASN C 1 21 ASN N -74.80 1.80 -41.82 -25.43 -28.08 . . 0 "[ . 1 ]"
20 PHI 1 20 ASN C 1 21 ASN N 1 21 ASN CA 1 21 ASN C 177.80 -57.30 -160.44 176.41 -136.40 1.39 2 0 "[ . 1 ]"
21 PSI 1 21 ASN N 1 21 ASN CA 1 21 ASN C 1 22 TYR N 96.20 -155.50 153.90 162.05 154.84 . . 0 "[ . 1 ]"
22 PHI 1 21 ASN C 1 22 TYR N 1 22 TYR CA 1 22 TYR C -142.20 -36.30 -108.47 -126.84 -82.91 . . 0 "[ . 1 ]"
23 PSI 1 22 TYR N 1 22 TYR CA 1 22 TYR C 1 23 THR N 96.40 -171.80 148.66 152.71 144.56 . . 0 "[ . 1 ]"
24 PHI 1 24 PRO C 1 25 ASP N 1 25 ASP CA 1 25 ASP C -150.00 -40.00 -72.70 -68.49 -69.16 . . 0 "[ . 1 ]"
25 PSI 1 25 ASP N 1 25 ASP CA 1 25 ASP C 1 26 MET N -50.00 15.00 -14.60 -7.42 -15.04 . . 0 "[ . 1 ]"
26 PHI 1 25 ASP C 1 26 MET N 1 26 MET CA 1 26 MET C 169.80 -80.50 -148.02 -159.48 -130.07 . . 0 "[ . 1 ]"
27 PSI 1 26 MET N 1 26 MET CA 1 26 MET C 1 27 ASN N 132.30 165.30 161.30 150.43 167.69 2.39 5 0 "[ . 1 ]"
28 PHI 1 26 MET C 1 27 ASN N 1 27 ASN CA 1 27 ASN C -116.40 -55.50 -64.62 -59.04 -62.65 0.31 13 0 "[ . 1 ]"
29 PSI 1 27 ASN N 1 27 ASN CA 1 27 ASN C 1 28 ARG N 66.30 -168.30 139.64 144.50 138.51 . . 0 "[ . 1 ]"
30 PHI 1 27 ASN C 1 28 ARG N 1 28 ARG CA 1 28 ARG C -78.70 -45.70 -55.86 -68.61 -43.04 2.66 3 0 "[ . 1 ]"
31 PSI 1 28 ARG N 1 28 ARG CA 1 28 ARG C 1 29 GLU N -64.40 -17.50 -35.90 -57.92 -13.40 4.10 6 0 "[ . 1 ]"
32 PHI 1 28 ARG C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -81.60 -48.60 -69.32 -65.44 -73.66 0.12 11 0 "[ . 1 ]"
33 PSI 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 ASP N -57.00 -24.00 -36.84 -47.94 -21.44 2.56 7 0 "[ . 1 ]"
34 PHI 1 29 GLU C 1 30 ASP N 1 30 ASP CA 1 30 ASP C -90.60 -52.20 -74.29 -92.21 -64.35 1.61 7 0 "[ . 1 ]"
35 PSI 1 30 ASP N 1 30 ASP CA 1 30 ASP C 1 31 VAL N -65.10 -18.20 -32.94 -46.85 -25.68 . . 0 "[ . 1 ]"
36 PHI 1 30 ASP C 1 31 VAL N 1 31 VAL CA 1 31 VAL C -84.00 -51.10 -65.75 -68.18 -73.10 2.28 10 0 "[ . 1 ]"
37 PSI 1 31 VAL N 1 31 VAL CA 1 31 VAL C 1 32 ASP N -63.40 -30.40 -48.71 -62.83 -34.88 . . 0 "[ . 1 ]"
38 PHI 1 31 VAL C 1 32 ASP N 1 32 ASP CA 1 32 ASP C -82.00 -49.00 -60.14 -64.42 -67.99 . . 0 "[ . 1 ]"
39 PSI 1 32 ASP N 1 32 ASP CA 1 32 ASP C 1 33 TYR N -58.60 -25.60 -45.19 -47.86 -51.16 . . 0 "[ . 1 ]"
40 PHI 1 32 ASP C 1 33 TYR N 1 33 TYR CA 1 33 TYR C -83.80 -50.80 -59.90 -75.87 -47.43 3.37 5 0 "[ . 1 ]"
41 PSI 1 33 TYR N 1 33 TYR CA 1 33 TYR C 1 34 ALA N -63.90 -30.90 -51.31 -47.55 -49.93 . . 0 "[ . 1 ]"
42 PHI 1 33 TYR C 1 34 ALA N 1 34 ALA CA 1 34 ALA C -82.20 -49.20 -63.43 -72.86 -49.25 . . 0 "[ . 1 ]"
43 PSI 1 34 ALA N 1 34 ALA CA 1 34 ALA C 1 35 ILE N -64.60 -31.60 -41.16 -54.63 -25.76 5.84 12 1 "[ . 1 + ]"
44 PHI 1 34 ALA C 1 35 ILE N 1 35 ILE CA 1 35 ILE C -86.20 -53.20 -68.64 -65.19 -71.76 . . 0 "[ . 1 ]"
45 PSI 1 35 ILE N 1 35 ILE CA 1 35 ILE C 1 36 ARG N -57.90 -24.90 -42.40 -53.05 -33.12 . . 0 "[ . 1 ]"
46 PHI 1 35 ILE C 1 36 ARG N 1 36 ARG CA 1 36 ARG C -86.70 -46.50 -60.84 -79.14 -46.66 . . 0 "[ . 1 ]"
47 PSI 1 36 ARG N 1 36 ARG CA 1 36 ARG C 1 37 LYS N -62.40 -29.40 -46.64 -49.73 -54.64 . . 0 "[ . 1 ]"
48 PHI 1 36 ARG C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -85.60 -52.60 -68.55 -82.57 -55.36 . . 0 "[ . 1 ]"
49 PSI 1 37 LYS N 1 37 LYS CA 1 37 LYS C 1 38 ALA N -65.70 -13.20 -31.77 -41.33 -22.51 . . 0 "[ . 1 ]"
50 PHI 1 37 LYS C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -87.00 -49.40 -67.83 -67.55 -75.33 . . 0 "[ . 1 ]"
51 PSI 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 PHE N -61.20 -28.20 -36.12 -50.30 -27.25 0.95 1 0 "[ . 1 ]"
52 PHI 1 38 ALA C 1 39 PHE N 1 39 PHE CA 1 39 PHE C -84.30 -51.30 -68.98 -68.21 -70.30 . . 0 "[ . 1 ]"
53 PSI 1 39 PHE N 1 39 PHE CA 1 39 PHE C 1 40 GLN N -58.80 -25.80 -36.65 -35.20 -37.11 1.30 14 0 "[ . 1 ]"
54 PHI 1 39 PHE C 1 40 GLN N 1 40 GLN CA 1 40 GLN C -85.20 -49.60 -69.40 -72.92 -74.92 . . 0 "[ . 1 ]"
55 PSI 1 40 GLN N 1 40 GLN CA 1 40 GLN C 1 41 VAL N -80.60 -8.80 -30.30 -28.24 -31.98 . . 0 "[ . 1 ]"
56 PHI 1 40 GLN C 1 41 VAL N 1 41 VAL CA 1 41 VAL C -99.70 -43.90 -61.93 -60.44 -64.01 . . 0 "[ . 1 ]"
57 PSI 1 41 VAL N 1 41 VAL CA 1 41 VAL C 1 42 TRP N -71.00 -18.00 -36.38 -46.34 -22.11 . . 0 "[ . 1 ]"
58 PHI 1 41 VAL C 1 42 TRP N 1 42 TRP CA 1 42 TRP C -103.20 -40.00 -79.78 -92.06 -69.13 . . 0 "[ . 1 ]"
59 PSI 1 42 TRP N 1 42 TRP CA 1 42 TRP C 1 43 SER N -63.40 -20.50 -34.29 -32.83 -34.33 . . 0 "[ . 1 ]"
60 PHI 1 42 TRP C 1 43 SER N 1 43 SER CA 1 43 SER C -85.90 -52.90 -62.75 -70.35 -55.58 . . 0 "[ . 1 ]"
61 PSI 1 43 SER N 1 43 SER CA 1 43 SER C 1 44 ASN N -65.80 -12.90 -21.53 -20.92 -22.68 2.28 12 0 "[ . 1 ]"
62 PHI 1 43 SER C 1 44 ASN N 1 44 ASN CA 1 44 ASN C -99.00 -51.00 -75.92 -100.46 -55.50 1.46 7 0 "[ . 1 ]"
63 PSI 1 44 ASN N 1 44 ASN CA 1 44 ASN C 1 45 VAL N -59.60 4.30 -21.67 -40.22 -3.91 . . 0 "[ . 1 ]"
64 PHI 1 44 ASN C 1 45 VAL N 1 45 VAL CA 1 45 VAL C -133.10 -100.00 -122.38 -124.93 -130.06 1.73 11 0 "[ . 1 ]"
65 PSI 1 45 VAL N 1 45 VAL CA 1 45 VAL C 1 46 THR N -34.80 24.90 4.00 -16.74 12.65 . . 0 "[ . 1 ]"
66 PHI 1 45 VAL C 1 46 THR N 1 46 THR CA 1 46 THR C 176.60 -101.00 -137.32 -128.52 -134.37 . . 0 "[ . 1 ]"
67 PSI 1 46 THR N 1 46 THR CA 1 46 THR C 1 47 PRO N 132.00 179.80 159.81 162.66 159.50 . . 0 "[ . 1 ]"
68 PSI 1 47 PRO N 1 47 PRO CA 1 47 PRO C 1 48 LEU N -56.80 27.80 -0.67 -20.29 -37.27 4.46 7 0 "[ . 1 ]"
69 PHI 1 48 LEU C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -162.40 -53.70 -111.35 -111.94 -117.06 . . 0 "[ . 1 ]"
70 PSI 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 PHE N 129.40 164.50 137.72 133.89 131.16 4.30 5 0 "[ . 1 ]"
71 PHI 1 49 LYS C 1 50 PHE N 1 50 PHE CA 1 50 PHE C -167.50 -75.10 -120.48 -142.02 -98.76 . . 0 "[ . 1 ]"
72 PSI 1 50 PHE N 1 50 PHE CA 1 50 PHE C 1 51 SER N 117.30 -173.60 138.20 113.64 158.45 3.66 6 0 "[ . 1 ]"
73 PHI 1 50 PHE C 1 51 SER N 1 51 SER CA 1 51 SER C 172.50 -74.20 -144.41 -135.96 -139.37 . . 0 "[ . 1 ]"
74 PSI 1 51 SER N 1 51 SER CA 1 51 SER C 1 52 LYS N 93.10 162.50 140.07 137.77 132.07 . . 0 "[ . 1 ]"
75 PHI 1 51 SER C 1 52 LYS N 1 52 LYS CA 1 52 LYS C -164.70 -55.30 -89.62 -108.41 -70.08 . . 0 "[ . 1 ]"
76 PSI 1 52 LYS N 1 52 LYS CA 1 52 LYS C 1 53 ILE N 103.00 158.90 141.98 126.40 157.38 . . 0 "[ . 1 ]"
77 PHI 1 52 LYS C 1 53 ILE N 1 53 ILE CA 1 53 ILE C -170.80 -49.60 -123.22 -136.87 -106.83 . . 0 "[ . 1 ]"
78 PSI 1 53 ILE N 1 53 ILE CA 1 53 ILE C 1 54 ASN N 123.70 168.40 152.65 144.89 143.18 2.48 6 0 "[ . 1 ]"
79 PHI 1 56 GLY C 1 57 MET N 1 57 MET CA 1 57 MET C -107.00 -69.80 -90.06 -108.80 -69.66 1.80 5 0 "[ . 1 ]"
80 PSI 1 57 MET N 1 57 MET CA 1 57 MET C 1 58 ALA N 81.60 172.40 125.00 127.19 125.12 . . 0 "[ . 1 ]"
81 PHI 1 57 MET C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -178.60 -63.90 -96.95 -128.03 -79.39 . . 0 "[ . 1 ]"
82 PSI 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 ASP N 87.00 -166.10 156.80 136.74 179.29 . . 0 "[ . 1 ]"
83 PHI 1 59 ASP C 1 60 ILE N 1 60 ILE CA 1 60 ILE C -135.30 -74.20 -102.40 -116.97 -88.48 . . 0 "[ . 1 ]"
84 PSI 1 60 ILE N 1 60 ILE CA 1 60 ILE C 1 61 LEU N 78.90 157.20 105.26 103.35 100.43 . . 0 "[ . 1 ]"
85 PHI 1 60 ILE C 1 61 LEU N 1 61 LEU CA 1 61 LEU C -152.30 -66.80 -80.41 -94.23 -63.86 2.94 1 0 "[ . 1 ]"
86 PSI 1 61 LEU N 1 61 LEU CA 1 61 LEU C 1 62 VAL N 95.30 144.80 137.24 127.82 149.52 4.72 4 0 "[ . 1 ]"
87 PHI 1 61 LEU C 1 62 VAL N 1 62 VAL CA 1 62 VAL C -135.70 -82.30 -101.62 -109.25 -114.29 . . 0 "[ . 1 ]"
88 PSI 1 62 VAL N 1 62 VAL CA 1 62 VAL C 1 63 VAL N 93.30 148.40 117.61 124.14 116.72 . . 0 "[ . 1 ]"
89 PHI 1 62 VAL C 1 63 VAL N 1 63 VAL CA 1 63 VAL C -153.50 -99.10 -133.60 -144.30 -115.15 . . 0 "[ . 1 ]"
90 PSI 1 63 VAL N 1 63 VAL CA 1 63 VAL C 1 64 PHE N 101.70 170.70 127.94 132.21 128.81 . . 0 "[ . 1 ]"
91 PHI 1 63 VAL C 1 64 PHE N 1 64 PHE CA 1 64 PHE C -152.60 -62.20 -101.06 -114.52 -88.39 . . 0 "[ . 1 ]"
92 PSI 1 64 PHE N 1 64 PHE CA 1 64 PHE C 1 65 ALA N 103.50 150.30 117.50 101.94 134.78 1.56 11 0 "[ . 1 ]"
93 PHI 1 64 PHE C 1 65 ALA N 1 65 ALA CA 1 65 ALA C -172.10 -99.70 -122.41 -108.11 -118.23 2.42 11 0 "[ . 1 ]"
94 PSI 1 65 ALA N 1 65 ALA CA 1 65 ALA C 1 66 ARG N 98.50 -171.80 136.02 114.71 148.52 . . 0 "[ . 1 ]"
95 PHI 1 65 ALA C 1 66 ARG N 1 66 ARG CA 1 66 ARG C -151.90 -103.00 -147.66 -152.50 -152.84 0.94 1 0 "[ . 1 ]"
96 PSI 1 66 ARG N 1 66 ARG CA 1 66 ARG C 1 67 GLY N 113.20 179.20 119.49 119.36 114.10 3.86 5 0 "[ . 1 ]"
97 PHI 1 67 GLY C 1 68 ALA N 1 68 ALA CA 1 68 ALA C -94.60 -51.60 -83.08 -92.15 -66.68 . . 0 "[ . 1 ]"
98 PSI 1 68 ALA N 1 68 ALA CA 1 68 ALA C 1 69 HIS N 88.60 173.90 113.02 121.43 121.35 0.59 9 0 "[ . 1 ]"
99 PHI 1 77 GLY C 1 78 LYS N 1 78 LYS CA 1 78 LYS C -94.00 -32.90 -63.35 -83.12 -48.07 . . 0 "[ . 1 ]"
100 PSI 1 78 LYS N 1 78 LYS CA 1 78 LYS C 1 79 GLY N 110.60 146.80 118.47 116.57 112.05 3.89 1 0 "[ . 1 ]"
101 PHI 1 80 GLY C 1 81 ILE N 1 81 ILE CA 1 81 ILE C -120.30 -53.20 -86.62 -98.47 -106.75 . . 0 "[ . 1 ]"
102 PSI 1 81 ILE N 1 81 ILE CA 1 81 ILE C 1 82 LEU N 61.10 164.80 126.74 117.40 138.89 . . 0 "[ . 1 ]"
103 PHI 1 84 HIS C 1 85 ALA N 1 85 ALA CA 1 85 ALA C -153.30 -28.30 -77.07 -88.63 -89.38 . . 0 "[ . 1 ]"
104 PSI 1 85 ALA N 1 85 ALA CA 1 85 ALA C 1 86 PHE N 57.40 172.50 147.27 116.83 172.50 . . 0 "[ . 1 ]"
105 PHI 1 91 GLY C 1 92 ILE N 1 92 ILE CA 1 92 ILE C -126.70 -29.90 -82.58 -95.44 -114.67 3.03 1 0 "[ . 1 ]"
106 PHI 1 93 GLY C 1 94 GLY N 1 94 GLY CA 1 94 GLY C 0.00 180.00 107.77 89.03 129.08 . . 0 "[ . 1 ]"
107 PSI 1 94 GLY N 1 94 GLY CA 1 94 GLY C 1 95 ASP N -33.90 24.30 18.05 -5.14 26.97 2.67 1 0 "[ . 1 ]"
108 PHI 1 95 ASP C 1 96 ALA N 1 96 ALA CA 1 96 ALA C 177.20 -73.80 -87.06 -80.27 -84.25 6.88 7 1 "[ . + 1 ]"
109 PSI 1 96 ALA N 1 96 ALA CA 1 96 ALA C 1 97 HIS N 72.30 -172.60 111.14 95.10 124.47 . . 0 "[ . 1 ]"
110 PHI 1 96 ALA C 1 97 HIS N 1 97 HIS CA 1 97 HIS C -168.90 -96.90 -99.37 -106.01 -127.82 5.79 3 1 "[ + . 1 ]"
111 PSI 1 97 HIS N 1 97 HIS CA 1 97 HIS C 1 98 PHE N 114.20 175.80 138.23 140.51 138.21 . . 0 "[ . 1 ]"
112 PHI 1 97 HIS C 1 98 PHE N 1 98 PHE CA 1 98 PHE C -159.90 -61.60 -127.39 -159.70 -109.37 . . 0 "[ . 1 ]"
113 PSI 1 98 PHE N 1 98 PHE CA 1 98 PHE C 1 99 ASP N 95.20 155.00 132.73 127.72 118.55 . . 0 "[ . 1 ]"
114 PHI 1 98 PHE C 1 99 ASP N 1 99 ASP CA 1 99 ASP C -137.40 -26.70 -77.44 -88.57 -68.21 . . 0 "[ . 1 ]"
115 PSI 1 99 ASP N 1 99 ASP CA 1 99 ASP C 1 100 GLU N 87.00 152.10 116.68 96.93 132.05 . . 0 "[ . 1 ]"
116 PHI 1 99 ASP C 1 100 GLU N 1 100 GLU CA 1 100 GLU C -101.40 -37.40 -78.90 -100.54 -64.34 . . 0 "[ . 1 ]"
117 PSI 1 100 GLU N 1 100 GLU CA 1 100 GLU C 1 101 ASP N -70.60 9.20 -10.21 -10.88 -14.05 . . 0 "[ . 1 ]"
118 PHI 1 100 GLU C 1 101 ASP N 1 101 ASP CA 1 101 ASP C -104.90 -35.20 -71.66 -69.69 -70.20 . . 0 "[ . 1 ]"
119 PSI 1 101 ASP N 1 101 ASP CA 1 101 ASP C 1 102 GLU N -61.00 24.30 -10.50 -13.56 -13.99 . . 0 "[ . 1 ]"
120 PHI 1 101 ASP C 1 102 GLU N 1 102 GLU CA 1 102 GLU C -114.40 -49.20 -76.55 -89.46 -58.54 . . 0 "[ . 1 ]"
121 PSI 1 102 GLU N 1 102 GLU CA 1 102 GLU C 1 103 PHE N 63.10 -152.50 160.04 151.03 168.78 . . 0 "[ . 1 ]"
122 PHI 1 102 GLU C 1 103 PHE N 1 103 PHE CA 1 103 PHE C -143.40 -71.90 -99.74 -119.33 -85.24 . . 0 "[ . 1 ]"
123 PSI 1 103 PHE N 1 103 PHE CA 1 103 PHE C 1 104 TRP N 81.30 127.10 96.32 82.14 109.95 . . 0 "[ . 1 ]"
124 PHI 1 103 PHE C 1 104 TRP N 1 104 TRP CA 1 104 TRP C -135.60 -74.90 -83.36 -82.81 -87.12 2.15 9 0 "[ . 1 ]"
125 PSI 1 104 TRP N 1 104 TRP CA 1 104 TRP C 1 105 THR N 82.50 177.00 138.41 137.95 130.48 . . 0 "[ . 1 ]"
126 PHI 1 104 TRP C 1 105 THR N 1 105 THR CA 1 105 THR C 174.20 -60.90 -144.60 -163.19 -125.92 . . 0 "[ . 1 ]"
127 PSI 1 105 THR N 1 105 THR CA 1 105 THR C 1 106 THR N 131.30 -170.40 -175.97 -174.56 -176.18 2.40 13 0 "[ . 1 ]"
128 PHI 1 106 THR C 1 107 HIS N 1 107 HIS CA 1 107 HIS C -126.40 -41.20 -119.70 -132.74 -96.06 6.34 3 1 "[ + . 1 ]"
129 PSI 1 107 HIS N 1 107 HIS CA 1 107 HIS C 1 108 SER N 113.20 -173.20 155.72 144.93 171.46 . . 0 "[ . 1 ]"
130 PHI 1 107 HIS C 1 108 SER N 1 108 SER CA 1 108 SER C -84.10 -51.10 -56.15 -78.21 -47.36 3.74 6 0 "[ . 1 ]"
131 PSI 1 108 SER N 1 108 SER CA 1 108 SER C 1 109 GLY N -51.90 -18.90 -20.09 -21.12 -21.67 7.40 7 1 "[ . + 1 ]"
132 PHI 1 110 GLY C 1 111 THR N 1 111 THR CA 1 111 THR C -154.50 -32.10 -102.39 -148.11 -66.07 . . 0 "[ . 1 ]"
133 PSI 1 111 THR N 1 111 THR CA 1 111 THR C 1 112 ASN N 94.40 156.30 129.73 112.25 144.10 . . 0 "[ . 1 ]"
134 PHI 1 111 THR C 1 112 ASN N 1 112 ASN CA 1 112 ASN C -126.40 -20.00 -82.76 -103.30 -57.91 . . 0 "[ . 1 ]"
135 PSI 1 112 ASN N 1 112 ASN CA 1 112 ASN C 1 113 LEU N 99.00 154.10 124.67 123.14 122.83 . . 0 "[ . 1 ]"
136 PHI 1 112 ASN C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -80.80 -47.80 -66.45 -49.81 -58.30 4.42 9 0 "[ . 1 ]"
137 PSI 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 PHE N -77.90 -3.90 -34.88 -49.82 -24.23 . . 0 "[ . 1 ]"
138 PHI 1 113 LEU C 1 114 PHE N 1 114 PHE CA 1 114 PHE C -80.40 -47.40 -67.06 -66.92 -70.71 . . 0 "[ . 1 ]"
139 PSI 1 114 PHE N 1 114 PHE CA 1 114 PHE C 1 115 LEU N -76.90 -13.90 -58.86 -57.47 -59.27 . . 0 "[ . 1 ]"
140 PHI 1 114 PHE C 1 115 LEU N 1 115 LEU CA 1 115 LEU C -81.50 -48.50 -64.00 -62.91 -65.42 . . 0 "[ . 1 ]"
141 PSI 1 115 LEU N 1 115 LEU CA 1 115 LEU C 1 116 THR N -62.40 -19.60 -27.87 -22.41 -26.31 0.84 10 0 "[ . 1 ]"
142 PHI 1 115 LEU C 1 116 THR N 1 116 THR CA 1 116 THR C -88.40 -55.40 -75.69 -89.31 -64.23 0.91 3 0 "[ . 1 ]"
143 PSI 1 116 THR N 1 116 THR CA 1 116 THR C 1 117 ALA N -67.50 -11.80 -40.35 -38.51 -41.32 . . 0 "[ . 1 ]"
144 PHI 1 116 THR C 1 117 ALA N 1 117 ALA CA 1 117 ALA C -84.70 -51.70 -65.81 -82.20 -54.08 . . 0 "[ . 1 ]"
145 PSI 1 117 ALA N 1 117 ALA CA 1 117 ALA C 1 118 VAL N -61.00 -25.10 -39.46 -40.06 -45.17 0.89 4 0 "[ . 1 ]"
146 PHI 1 117 ALA C 1 118 VAL N 1 118 VAL CA 1 118 VAL C -85.10 -47.90 -63.56 -75.12 -52.17 . . 0 "[ . 1 ]"
147 PSI 1 118 VAL N 1 118 VAL CA 1 118 VAL C 1 119 HIS N -85.00 4.70 -41.28 -60.06 -25.35 . . 0 "[ . 1 ]"
148 PHI 1 118 VAL C 1 119 HIS N 1 119 HIS CA 1 119 HIS C -84.10 -51.10 -67.42 -67.32 -71.19 . . 0 "[ . 1 ]"
149 PSI 1 119 HIS N 1 119 HIS CA 1 119 HIS C 1 120 ALA N -66.40 -28.60 -40.99 -49.43 -29.04 . . 0 "[ . 1 ]"
150 PHI 1 119 HIS C 1 120 ALA N 1 120 ALA CA 1 120 ALA C -84.60 -51.60 -65.66 -77.70 -53.62 . . 0 "[ . 1 ]"
151 PSI 1 120 ALA N 1 120 ALA CA 1 120 ALA C 1 121 ILE N -61.10 -28.10 -39.62 -49.91 -25.05 3.05 3 0 "[ . 1 ]"
152 PHI 1 120 ALA C 1 121 ILE N 1 121 ILE CA 1 121 ILE C -82.50 -49.50 -69.61 -68.11 -71.14 4.49 12 0 "[ . 1 ]"
153 PSI 1 121 ILE N 1 121 ILE CA 1 121 ILE C 1 122 GLY N -56.50 -23.50 -36.76 -26.51 -29.13 2.37 2 0 "[ . 1 ]"
154 PHI 1 121 ILE C 1 122 GLY N 1 122 GLY CA 1 122 GLY C -90.40 -48.00 -70.80 -84.23 -88.25 . . 0 "[ . 1 ]"
155 PSI 1 122 GLY N 1 122 GLY CA 1 122 GLY C 1 123 HIS N -73.90 -4.50 -40.69 -53.92 -23.17 . . 0 "[ . 1 ]"
156 PHI 1 123 HIS C 1 124 SER N 1 124 SER CA 1 124 SER C -114.90 -50.20 -68.72 -82.67 -47.56 2.64 11 0 "[ . 1 ]"
157 PSI 1 124 SER N 1 124 SER CA 1 124 SER C 1 125 LEU N -52.70 -12.30 -21.87 -18.77 -20.84 0.59 14 0 "[ . 1 ]"
158 PHI 1 124 SER C 1 125 LEU N 1 125 LEU CA 1 125 LEU C -138.50 -60.40 -87.62 -103.82 -71.44 . . 0 "[ . 1 ]"
159 PHI 1 125 LEU C 1 126 GLY N 1 126 GLY CA 1 126 GLY C 3.40 118.70 114.72 105.77 125.36 6.66 11 1 "[ . 1+ ]"
160 PSI 1 126 GLY N 1 126 GLY CA 1 126 GLY C 1 127 LEU N -38.50 83.30 11.31 22.24 19.11 . . 0 "[ . 1 ]"
161 PHI 1 128 GLY C 1 129 HIS N 1 129 HIS CA 1 129 HIS C -150.10 -24.20 -75.15 -93.02 -147.20 . . 0 "[ . 1 ]"
162 PSI 1 129 HIS N 1 129 HIS CA 1 129 HIS C 1 130 SER N 128.70 161.70 140.98 127.32 158.11 1.38 9 0 "[ . 1 ]"
163 PHI 1 129 HIS C 1 130 SER N 1 130 SER CA 1 130 SER C -173.10 -53.90 -80.41 -89.93 -101.64 . . 0 "[ . 1 ]"
164 PSI 1 130 SER N 1 130 SER CA 1 130 SER C 1 131 SER N 122.40 167.90 155.04 140.90 166.86 . . 0 "[ . 1 ]"
165 PHI 1 133 PRO C 1 134 LYS N 1 134 LYS CA 1 134 LYS C -142.60 -22.30 -99.68 -128.34 -80.31 . . 0 "[ . 1 ]"
166 PSI 1 134 LYS N 1 134 LYS CA 1 134 LYS C 1 135 ALA N -73.50 37.50 -3.17 -3.27 -8.20 . . 0 "[ . 1 ]"
167 PHI 1 134 LYS C 1 135 ALA N 1 135 ALA CA 1 135 ALA C -109.30 -50.30 -79.34 -96.01 -59.12 . . 0 "[ . 1 ]"
168 PSI 1 135 ALA N 1 135 ALA CA 1 135 ALA C 1 136 VAL N 99.60 174.30 153.03 141.13 166.56 . . 0 "[ . 1 ]"
169 PHI 1 135 ALA C 1 136 VAL N 1 136 VAL CA 1 136 VAL C -93.80 -41.20 -74.52 -78.66 -83.07 . . 0 "[ . 1 ]"
170 PSI 1 136 VAL N 1 136 VAL CA 1 136 VAL C 1 137 MET N -56.80 -17.60 -38.76 -37.25 -40.16 . . 0 "[ . 1 ]"
171 PHI 1 136 VAL C 1 137 MET N 1 137 MET CA 1 137 MET C -121.30 -59.10 -66.06 -81.56 -59.16 . . 0 "[ . 1 ]"
172 PSI 1 137 MET N 1 137 MET CA 1 137 MET C 1 138 PHE N -23.70 29.70 -2.76 2.44 0.06 . . 0 "[ . 1 ]"
173 PHI 1 137 MET C 1 138 PHE N 1 138 PHE CA 1 138 PHE C -129.80 -34.70 -67.59 -74.34 -57.49 . . 0 "[ . 1 ]"
174 PSI 1 138 PHE N 1 138 PHE CA 1 138 PHE C 1 139 PRO N 100.50 -176.60 146.24 149.22 148.85 . . 0 "[ . 1 ]"
175 PSI 1 139 PRO N 1 139 PRO CA 1 139 PRO C 1 140 THR N -58.70 5.30 -33.54 -36.82 -37.77 . . 0 "[ . 1 ]"
176 PHI 1 140 THR C 1 141 TYR N 1 141 TYR CA 1 141 TYR C -125.90 -42.90 -101.10 -90.56 -100.70 . . 0 "[ . 1 ]"
177 PSI 1 141 TYR N 1 141 TYR CA 1 141 TYR C 1 142 LYS N 103.10 151.50 140.66 134.79 128.93 1.31 8 0 "[ . 1 ]"
178 PHI 1 141 TYR C 1 142 LYS N 1 142 LYS CA 1 142 LYS C -161.10 -53.80 -144.24 -154.98 -120.47 . . 0 "[ . 1 ]"
179 PSI 1 142 LYS N 1 142 LYS CA 1 142 LYS C 1 143 TYR N 85.00 -159.60 145.98 137.25 159.46 . . 0 "[ . 1 ]"
180 PHI 1 142 LYS C 1 143 TYR N 1 143 TYR CA 1 143 TYR C -138.20 -34.00 -67.06 -80.29 -44.88 . . 0 "[ . 1 ]"
181 PSI 1 143 TYR N 1 143 TYR CA 1 143 TYR C 1 144 VAL N 91.30 -163.50 130.99 141.29 135.31 . . 0 "[ . 1 ]"
182 PHI 1 143 TYR C 1 144 VAL N 1 144 VAL CA 1 144 VAL C -172.80 -83.80 -135.97 -161.94 -115.07 . . 0 "[ . 1 ]"
183 PSI 1 144 VAL N 1 144 VAL CA 1 144 VAL C 1 145 ASP N 103.90 -147.80 158.31 167.04 161.93 . . 0 "[ . 1 ]"
184 PHI 1 145 ASP C 1 146 ILE N 1 146 ILE CA 1 146 ILE C -85.70 -49.40 -55.32 -48.19 -52.24 6.55 8 1 "[ . + 1 ]"
185 PSI 1 146 ILE N 1 146 ILE CA 1 146 ILE C 1 147 ASN N -64.40 -31.40 -37.65 -40.75 -41.63 1.32 12 0 "[ . 1 ]"
186 PHI 1 146 ILE C 1 147 ASN N 1 147 ASN CA 1 147 ASN C -98.90 -44.40 -80.18 -90.83 -62.21 . . 0 "[ . 1 ]"
187 PSI 1 147 ASN N 1 147 ASN CA 1 147 ASN C 1 148 THR N -50.60 -17.60 -37.92 -29.64 -34.57 2.00 13 0 "[ . 1 ]"
188 PHI 1 147 ASN C 1 148 THR N 1 148 THR CA 1 148 THR C -149.40 -63.80 -86.20 -108.72 -64.63 . . 0 "[ . 1 ]"
189 PSI 1 148 THR N 1 148 THR CA 1 148 THR C 1 149 PHE N -47.30 27.80 -0.96 -22.19 30.50 2.70 1 0 "[ . 1 ]"
190 PHI 1 148 THR C 1 149 PHE N 1 149 PHE CA 1 149 PHE C -135.00 -27.50 -80.82 -90.58 -95.51 . . 0 "[ . 1 ]"
191 PSI 1 149 PHE N 1 149 PHE CA 1 149 PHE C 1 150 ARG N 107.90 152.10 136.86 118.65 144.62 . . 0 "[ . 1 ]"
192 PHI 1 149 PHE C 1 150 ARG N 1 150 ARG CA 1 150 ARG C -176.00 -82.70 -144.82 -159.55 -129.94 . . 0 "[ . 1 ]"
193 PSI 1 150 ARG N 1 150 ARG CA 1 150 ARG C 1 151 LEU N 93.30 -161.30 153.72 159.56 156.80 . . 0 "[ . 1 ]"
194 PHI 1 150 ARG C 1 151 LEU N 1 151 LEU CA 1 151 LEU C -156.80 -35.30 -76.52 -98.38 -63.54 . . 0 "[ . 1 ]"
195 PSI 1 151 LEU N 1 151 LEU CA 1 151 LEU C 1 152 SER N 123.60 164.30 147.10 127.81 163.70 . . 0 "[ . 1 ]"
196 PHI 1 151 LEU C 1 152 SER N 1 152 SER CA 1 152 SER C -159.70 -41.60 -92.76 -93.46 -95.16 . . 0 "[ . 1 ]"
197 PSI 1 152 SER N 1 152 SER CA 1 152 SER C 1 153 ALA N 85.30 -158.30 169.68 157.45 -174.34 . . 0 "[ . 1 ]"
198 PHI 1 152 SER C 1 153 ALA N 1 153 ALA CA 1 153 ALA C -79.10 -46.10 -54.23 -64.18 -42.55 3.55 1 0 "[ . 1 ]"
199 PSI 1 153 ALA N 1 153 ALA CA 1 153 ALA C 1 154 ASP N -58.00 -25.00 -46.33 -48.75 -55.35 1.67 1 0 "[ . 1 ]"
200 PHI 1 153 ALA C 1 154 ASP N 1 154 ASP CA 1 154 ASP C -82.50 -49.50 -63.38 -71.71 -55.27 . . 0 "[ . 1 ]"
201 PSI 1 154 ASP N 1 154 ASP CA 1 154 ASP C 1 155 ASP N -62.30 -29.30 -37.17 -48.61 -29.04 0.26 5 0 "[ . 1 ]"
202 PHI 1 154 ASP C 1 155 ASP N 1 155 ASP CA 1 155 ASP C -85.20 -52.20 -62.36 -52.81 -55.61 . . 0 "[ . 1 ]"
203 PSI 1 155 ASP N 1 155 ASP CA 1 155 ASP C 1 156 ILE N -66.00 -24.90 -47.45 -53.62 -56.91 . . 0 "[ . 1 ]"
204 PHI 1 155 ASP C 1 156 ILE N 1 156 ILE CA 1 156 ILE C -82.20 -49.20 -69.80 -82.38 -52.47 0.18 7 0 "[ . 1 ]"
205 PSI 1 156 ILE N 1 156 ILE CA 1 156 ILE C 1 157 ARG N -65.70 -26.70 -48.24 -48.31 -51.68 . . 0 "[ . 1 ]"
206 PHI 1 156 ILE C 1 157 ARG N 1 157 ARG CA 1 157 ARG C -81.10 -48.10 -67.71 -76.17 -80.90 1.25 4 0 "[ . 1 ]"
207 PSI 1 157 ARG N 1 157 ARG CA 1 157 ARG C 1 158 GLY N -65.30 -18.30 -22.34 -31.04 -16.17 2.13 1 0 "[ . 1 ]"
208 PHI 1 157 ARG C 1 158 GLY N 1 158 GLY CA 1 158 GLY C -85.20 -52.20 -78.70 -64.66 -71.42 2.50 7 0 "[ . 1 ]"
209 PSI 1 158 GLY N 1 158 GLY CA 1 158 GLY C 1 159 ILE N -62.80 -27.40 -46.99 -61.65 -37.20 . . 0 "[ . 1 ]"
210 PHI 1 158 GLY C 1 159 ILE N 1 159 ILE CA 1 159 ILE C -85.30 -52.30 -69.31 -74.28 -77.59 . . 0 "[ . 1 ]"
211 PSI 1 159 ILE N 1 159 ILE CA 1 159 ILE C 1 160 GLN N -57.70 -24.70 -33.18 -47.38 -22.82 1.88 13 0 "[ . 1 ]"
212 PHI 1 159 ILE C 1 160 GLN N 1 160 GLN CA 1 160 GLN C -87.30 -52.00 -74.94 -87.11 -65.33 . . 0 "[ . 1 ]"
213 PSI 1 160 GLN N 1 160 GLN CA 1 160 GLN C 1 161 SER N -54.30 -16.10 -20.11 -28.15 -12.07 4.03 1 0 "[ . 1 ]"
214 PHI 1 160 GLN C 1 161 SER N 1 161 SER CA 1 161 SER C -94.10 -47.00 -69.85 -64.81 -65.43 . . 0 "[ . 1 ]"
215 PSI 1 161 SER N 1 161 SER CA 1 161 SER C 1 162 LEU N -71.10 14.10 -28.05 -23.38 -30.75 . . 0 "[ . 1 ]"
216 PHI 1 161 SER C 1 162 LEU N 1 162 LEU CA 1 162 LEU C -133.20 -49.90 -94.69 -113.41 -60.49 . . 0 "[ . 1 ]"
217 PSI 1 162 LEU N 1 162 LEU CA 1 162 LEU C 1 163 TYR N -56.00 -19.70 -39.20 -35.90 -39.62 . . 0 "[ . 1 ]"
218 PHI 1 162 LEU C 1 163 TYR N 1 163 TYR CA 1 163 TYR C -141.60 -72.30 -121.32 -118.83 -120.66 . . 0 "[ . 1 ]"
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