NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
556613 |
2m04   |
18793 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2m04
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 214
_TA_constraint_stats_list.Viol_count 510
_TA_constraint_stats_list.Viol_total 25506.86
_TA_constraint_stats_list.Viol_max 19.03
_TA_constraint_stats_list.Viol_rms 1.18
_TA_constraint_stats_list.Viol_average_all_restraints 0.30
_TA_constraint_stats_list.Viol_average_violations_only 2.50
_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 5 SER C 1 6 GLN N 1 6 GLN CA 1 6 GLN C -81.80 -46.30 -72.83 -74.73 -75.30 . . 0 "[ . 1 . 2]"
2 PSI 1 6 GLN N 1 6 GLN CA 1 6 GLN C 1 7 SER N -61.50 -16.70 -53.30 -61.36 -37.99 . . 0 "[ . 1 . 2]"
3 PHI 1 6 GLN C 1 7 SER N 1 7 SER CA 1 7 SER C -96.90 -39.00 -70.29 -89.85 -58.90 . . 0 "[ . 1 . 2]"
4 PSI 1 7 SER N 1 7 SER CA 1 7 SER C 1 8 ASN N -70.10 9.60 -29.57 -27.27 -28.49 . . 0 "[ . 1 . 2]"
5 PHI 1 8 ASN C 1 9 ARG N 1 9 ARG CA 1 9 ARG C -73.70 -47.50 -62.08 -66.83 -67.79 . . 0 "[ . 1 . 2]"
6 PSI 1 9 ARG N 1 9 ARG CA 1 9 ARG C 1 10 GLU N -58.70 -28.90 -45.24 -33.07 -35.79 3.64 14 0 "[ . 1 . 2]"
7 PHI 1 9 ARG C 1 10 GLU N 1 10 GLU CA 1 10 GLU C -72.50 -45.50 -67.04 -78.33 -53.22 5.83 14 1 "[ . 1 +. 2]"
8 PSI 1 10 GLU N 1 10 GLU CA 1 10 GLU C 1 11 LEU N -58.20 -19.90 -33.83 -28.62 -29.42 . . 0 "[ . 1 . 2]"
9 PHI 1 10 GLU C 1 11 LEU N 1 11 LEU CA 1 11 LEU C -75.10 -55.10 -63.67 -73.16 -55.83 . . 0 "[ . 1 . 2]"
10 PSI 1 11 LEU N 1 11 LEU CA 1 11 LEU C 1 12 VAL N -56.70 -18.70 -50.65 -54.89 -38.63 . . 0 "[ . 1 . 2]"
11 PHI 1 11 LEU C 1 12 VAL N 1 12 VAL CA 1 12 VAL C -77.10 -52.10 -62.67 -53.44 -56.18 . . 0 "[ . 1 . 2]"
12 PSI 1 12 VAL N 1 12 VAL CA 1 12 VAL C 1 13 VAL N -62.30 -31.40 -42.81 -39.56 -40.34 . . 0 "[ . 1 . 2]"
13 PHI 1 12 VAL C 1 13 VAL N 1 13 VAL CA 1 13 VAL C -71.40 -51.40 -64.42 -73.20 -55.43 1.80 12 0 "[ . 1 . 2]"
14 PSI 1 13 VAL N 1 13 VAL CA 1 13 VAL C 1 14 ASP N -53.30 -25.90 -40.38 -53.90 -23.05 2.85 11 0 "[ . 1 . 2]"
15 PHI 1 13 VAL C 1 14 ASP N 1 14 ASP CA 1 14 ASP C -77.20 -54.80 -60.20 -54.03 -54.82 1.96 18 0 "[ . 1 . 2]"
16 PSI 1 14 ASP N 1 14 ASP CA 1 14 ASP C 1 15 PHE N -51.90 -31.30 -47.12 -47.99 -49.12 3.94 11 0 "[ . 1 . 2]"
17 PHI 1 14 ASP C 1 15 PHE N 1 15 PHE CA 1 15 PHE C -73.40 -53.40 -70.00 -69.97 -71.06 5.03 5 1 "[ + 1 . 2]"
18 PSI 1 15 PHE N 1 15 PHE CA 1 15 PHE C 1 16 LEU N -51.40 -31.40 -45.68 -47.23 -47.51 0.83 7 0 "[ . 1 . 2]"
19 PHI 1 15 PHE C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -74.00 -49.90 -59.48 -68.79 -53.95 . . 0 "[ . 1 . 2]"
20 PSI 1 16 LEU N 1 16 LEU CA 1 16 LEU C 1 17 SER N -51.60 -29.40 -43.36 -56.26 -34.46 4.66 11 0 "[ . 1 . 2]"
21 PHI 1 16 LEU C 1 17 SER N 1 17 SER CA 1 17 SER C -77.60 -49.90 -60.86 -63.26 -64.91 . . 0 "[ . 1 . 2]"
22 PSI 1 17 SER N 1 17 SER CA 1 17 SER C 1 18 TYR N -54.90 -28.60 -32.64 -39.13 -28.71 . . 0 "[ . 1 . 2]"
23 PHI 1 17 SER C 1 18 TYR N 1 18 TYR CA 1 18 TYR C -75.90 -55.90 -70.17 -76.03 -64.44 0.13 7 0 "[ . 1 . 2]"
24 PSI 1 18 TYR N 1 18 TYR CA 1 18 TYR C 1 19 LYS N -56.80 -27.80 -42.61 -43.81 -45.01 . . 0 "[ . 1 . 2]"
25 PHI 1 18 TYR C 1 19 LYS N 1 19 LYS CA 1 19 LYS C -74.00 -54.00 -70.30 -75.63 -62.90 1.63 11 0 "[ . 1 . 2]"
26 PSI 1 19 LYS N 1 19 LYS CA 1 19 LYS C 1 20 LEU N -52.60 -31.90 -45.77 -44.70 -45.35 . . 0 "[ . 1 . 2]"
27 PHI 1 19 LYS C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -82.00 -50.10 -68.37 -80.54 -57.43 . . 0 "[ . 1 . 2]"
28 PSI 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 SER N -51.90 -22.20 -25.40 -37.02 -21.22 0.98 5 0 "[ . 1 . 2]"
29 PHI 1 20 LEU C 1 21 SER N 1 21 SER CA 1 21 SER C -77.40 -57.40 -59.30 -59.48 -60.33 4.50 11 0 "[ . 1 . 2]"
30 PSI 1 21 SER N 1 21 SER CA 1 21 SER C 1 22 GLN N -52.40 -25.80 -31.20 -28.55 -30.84 1.38 6 0 "[ . 1 . 2]"
31 PHI 1 21 SER C 1 22 GLN N 1 22 GLN CA 1 22 GLN C -73.60 -53.60 -58.55 -57.20 -57.52 1.39 11 0 "[ . 1 . 2]"
32 PSI 1 22 GLN N 1 22 GLN CA 1 22 GLN C 1 23 LYS N -42.50 -14.70 -27.50 -29.32 -30.12 1.77 12 0 "[ . 1 . 2]"
33 PHI 1 24 GLY C 1 25 TYR N 1 25 TYR CA 1 25 TYR C -170.90 -67.90 -150.96 -170.76 -48.87 19.03 11 3 "[ .* 1+ . -2]"
34 PSI 1 25 TYR N 1 25 TYR CA 1 25 TYR C 1 26 SER N 100.30 -172.00 140.70 135.16 126.30 . . 0 "[ . 1 . 2]"
35 PHI 1 25 TYR C 1 26 SER N 1 26 SER CA 1 26 SER C -149.90 -43.60 -134.93 -151.39 -152.02 2.96 17 0 "[ . 1 . 2]"
36 PSI 1 26 SER N 1 26 SER CA 1 26 SER C 1 27 TRP N 102.50 159.30 149.94 145.90 141.26 16.35 19 3 "[ . 1 .- *+2]"
37 PHI 1 27 TRP C 1 28 SER N 1 28 SER CA 1 28 SER C -101.80 -49.50 -82.61 -105.58 -53.99 3.78 19 0 "[ . 1 . 2]"
38 PSI 1 28 SER N 1 28 SER CA 1 28 SER C 1 29 GLN N -42.30 21.60 -19.90 -7.55 -17.89 3.04 15 0 "[ . 1 . 2]"
39 PHI 1 39 GLU C 1 40 ALA N 1 40 ALA CA 1 40 ALA C -109.90 -46.80 -79.39 -57.90 -73.37 3.23 10 0 "[ . 1 . 2]"
40 PSI 1 40 ALA N 1 40 ALA CA 1 40 ALA C 1 41 PRO N 111.50 177.50 149.58 105.00 164.01 6.50 11 2 "[ . -+ . 2]"
41 PHI 1 46 SER C 1 47 GLU N 1 47 GLU CA 1 47 GLU C -71.30 -51.30 -69.75 -74.64 -64.89 3.34 19 0 "[ . 1 . 2]"
42 PSI 1 47 GLU N 1 47 GLU CA 1 47 GLU C 1 48 ALA N -54.00 -21.50 -32.59 -35.34 -27.92 . . 0 "[ . 1 . 2]"
43 PHI 1 47 GLU C 1 48 ALA N 1 48 ALA CA 1 48 ALA C -78.20 -45.90 -75.85 -72.53 -73.58 2.77 18 0 "[ . 1 . 2]"
44 PSI 1 48 ALA N 1 48 ALA CA 1 48 ALA C 1 49 VAL N -47.80 -27.80 -47.15 -51.98 -39.82 4.18 8 0 "[ . 1 . 2]"
45 PHI 1 48 ALA C 1 49 VAL N 1 49 VAL CA 1 49 VAL C -77.20 -53.50 -65.08 -73.16 -60.19 . . 0 "[ . 1 . 2]"
46 PSI 1 49 VAL N 1 49 VAL CA 1 49 VAL C 1 50 LYS N -57.10 -26.00 -38.49 -36.78 -37.84 . . 0 "[ . 1 . 2]"
47 PHI 1 49 VAL C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -70.80 -46.70 -69.21 -73.57 -66.34 2.77 20 0 "[ . 1 . 2]"
48 PSI 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 GLN N -56.30 -25.00 -41.40 -47.64 -27.35 . . 0 "[ . 1 . 2]"
49 PHI 1 50 LYS C 1 51 GLN N 1 51 GLN CA 1 51 GLN C -84.30 -50.60 -71.54 -77.63 -66.79 . . 0 "[ . 1 . 2]"
50 PSI 1 51 GLN N 1 51 GLN CA 1 51 GLN C 1 52 ALA N -50.70 -23.40 -39.87 -46.85 -33.37 . . 0 "[ . 1 . 2]"
51 PHI 1 51 GLN C 1 52 ALA N 1 52 ALA CA 1 52 ALA C -80.30 -44.70 -64.26 -65.47 -68.06 . . 0 "[ . 1 . 2]"
52 PSI 1 52 ALA N 1 52 ALA CA 1 52 ALA C 1 53 LEU N -52.60 -24.00 -37.32 -51.13 -27.07 . . 0 "[ . 1 . 2]"
53 PHI 1 52 ALA C 1 53 LEU N 1 53 LEU CA 1 53 LEU C -77.40 -53.90 -63.97 -75.16 -54.81 . . 0 "[ . 1 . 2]"
54 PSI 1 53 LEU N 1 53 LEU CA 1 53 LEU C 1 54 ARG N -50.90 -26.40 -38.71 -50.79 -25.66 0.74 18 0 "[ . 1 . 2]"
55 PHI 1 53 LEU C 1 54 ARG N 1 54 ARG CA 1 54 ARG C -75.30 -55.30 -69.82 -62.24 -65.71 0.15 18 0 "[ . 1 . 2]"
56 PSI 1 54 ARG N 1 54 ARG CA 1 54 ARG C 1 55 GLU N -47.90 -27.90 -43.87 -47.01 -47.76 3.29 15 0 "[ . 1 . 2]"
57 PHI 1 54 ARG C 1 55 GLU N 1 55 GLU CA 1 55 GLU C -79.80 -43.60 -62.61 -81.40 -53.33 1.60 8 0 "[ . 1 . 2]"
58 PSI 1 55 GLU N 1 55 GLU CA 1 55 GLU C 1 56 ALA N -61.50 -22.90 -48.44 -29.58 -37.93 1.45 3 0 "[ . 1 . 2]"
59 PHI 1 55 GLU C 1 56 ALA N 1 56 ALA CA 1 56 ALA C -82.40 -48.20 -73.69 -61.39 -71.08 1.03 19 0 "[ . 1 . 2]"
60 PSI 1 56 ALA N 1 56 ALA CA 1 56 ALA C 1 57 GLY N -60.50 -17.50 -26.28 -49.25 -12.86 4.64 19 0 "[ . 1 . 2]"
61 PHI 1 58 ASP C 1 59 GLU N 1 59 GLU CA 1 59 GLU C -87.20 -46.50 -84.29 -91.53 -63.05 4.33 16 0 "[ . 1 . 2]"
62 PSI 1 59 GLU N 1 59 GLU CA 1 59 GLU C 1 60 PHE N -73.70 4.60 -26.62 -82.90 1.44 9.20 9 1 "[ . +1 . 2]"
63 PHI 1 60 PHE C 1 61 GLU N 1 61 GLU CA 1 61 GLU C -111.50 -48.40 -80.99 -65.42 -95.24 10.41 9 2 "[ . +1 . - 2]"
64 PSI 1 61 GLU N 1 61 GLU CA 1 61 GLU C 1 62 LEU N -72.00 6.20 -35.19 -65.29 12.20 6.00 9 1 "[ . +1 . 2]"
65 PHI 1 72 THR C 1 73 SER N 1 73 SER CA 1 73 SER C 167.30 -74.70 -74.46 -63.63 -66.15 11.07 2 9 "[-+* . * *1 .* ***]"
66 PSI 1 73 SER N 1 73 SER CA 1 73 SER C 1 74 GLN N 128.30 -166.80 155.01 128.87 -172.56 . . 0 "[ . 1 . 2]"
67 PHI 1 75 LEU C 1 76 HIS N 1 76 HIS CA 1 76 HIS C -157.60 -107.00 -115.00 -158.97 -100.01 6.99 18 2 "[ . 1 - . + 2]"
68 PSI 1 76 HIS N 1 76 HIS CA 1 76 HIS C 1 77 ILE N 133.70 -176.70 134.35 124.47 155.00 9.23 5 3 "[ - + * 1 . 2]"
69 PHI 1 81 THR C 1 82 ALA N 1 82 ALA CA 1 82 ALA C -70.30 -48.50 -55.83 -53.12 -54.14 . . 0 "[ . 1 . 2]"
70 PSI 1 82 ALA N 1 82 ALA CA 1 82 ALA C 1 83 TYR N -51.70 -14.10 -35.67 -32.70 -32.91 . . 0 "[ . 1 . 2]"
71 PHI 1 82 ALA C 1 83 TYR N 1 83 TYR CA 1 83 TYR C -78.30 -49.00 -64.12 -78.94 -51.10 0.64 17 0 "[ . 1 . 2]"
72 PSI 1 83 TYR N 1 83 TYR CA 1 83 TYR C 1 84 GLN N -73.20 -7.40 -34.30 -48.39 -25.50 . . 0 "[ . 1 . 2]"
73 PHI 1 83 TYR C 1 84 GLN N 1 84 GLN CA 1 84 GLN C -74.90 -51.00 -63.51 -65.17 -65.88 . . 0 "[ . 1 . 2]"
74 PSI 1 84 GLN N 1 84 GLN CA 1 84 GLN C 1 85 SER N -49.60 -29.60 -40.03 -52.50 -32.67 2.90 15 0 "[ . 1 . 2]"
75 PHI 1 84 GLN C 1 85 SER N 1 85 SER CA 1 85 SER C -75.40 -55.40 -56.49 -57.64 -61.84 2.98 4 0 "[ . 1 . 2]"
76 PSI 1 85 SER N 1 85 SER CA 1 85 SER C 1 86 PHE N -59.40 -21.40 -51.27 -44.23 -48.23 . . 0 "[ . 1 . 2]"
77 PHI 1 85 SER C 1 86 PHE N 1 86 PHE CA 1 86 PHE C -73.80 -53.80 -60.34 -71.71 -56.59 . . 0 "[ . 1 . 2]"
78 PSI 1 86 PHE N 1 86 PHE CA 1 86 PHE C 1 87 GLU N -54.70 -29.10 -48.25 -56.49 -43.11 1.79 2 0 "[ . 1 . 2]"
79 PHI 1 86 PHE C 1 87 GLU N 1 87 GLU CA 1 87 GLU C -79.90 -52.40 -58.93 -69.75 -54.84 . . 0 "[ . 1 . 2]"
80 PSI 1 87 GLU N 1 87 GLU CA 1 87 GLU C 1 88 GLN N -68.00 -0.90 -39.53 -33.25 -36.37 . . 0 "[ . 1 . 2]"
81 PHI 1 87 GLU C 1 88 GLN N 1 88 GLN CA 1 88 GLN C -73.20 -53.20 -68.61 -71.65 -62.66 . . 0 "[ . 1 . 2]"
82 PSI 1 88 GLN N 1 88 GLN CA 1 88 GLN C 1 89 VAL N -52.90 -31.30 -40.44 -53.03 -33.18 0.13 2 0 "[ . 1 . 2]"
83 PHI 1 88 GLN C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -81.40 -55.50 -55.79 -55.55 -56.04 2.37 6 0 "[ . 1 . 2]"
84 PSI 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 VAL N -63.50 -17.90 -57.46 -39.67 -50.90 1.19 5 0 "[ . 1 . 2]"
85 PHI 1 89 VAL C 1 90 VAL N 1 90 VAL CA 1 90 VAL C -80.60 -42.70 -62.90 -68.14 -56.45 . . 0 "[ . 1 . 2]"
86 PSI 1 90 VAL N 1 90 VAL CA 1 90 VAL C 1 91 ASN N -57.50 -28.40 -37.62 -54.65 -28.05 0.35 18 0 "[ . 1 . 2]"
87 PHI 1 90 VAL C 1 91 ASN N 1 91 ASN CA 1 91 ASN C -74.70 -51.70 -60.28 -71.33 -54.49 . . 0 "[ . 1 . 2]"
88 PSI 1 91 ASN N 1 91 ASN CA 1 91 ASN C 1 92 GLU N -55.40 -16.80 -46.50 -31.18 -40.78 . . 0 "[ . 1 . 2]"
89 PHI 1 91 ASN C 1 92 GLU N 1 92 GLU CA 1 92 GLU C -105.70 -48.50 -75.62 -109.81 -64.89 4.11 20 0 "[ . 1 . 2]"
90 PSI 1 92 GLU N 1 92 GLU CA 1 92 GLU C 1 93 LEU N -41.30 9.80 -32.80 -44.76 -12.71 3.46 2 0 "[ . 1 . 2]"
91 PHI 1 98 VAL C 1 99 ASN N 1 99 ASN CA 1 99 ASN C 178.50 -29.10 -130.74 -99.39 -131.13 . . 0 "[ . 1 . 2]"
92 PSI 1 99 ASN N 1 99 ASN CA 1 99 ASN C 1 100 TRP N 123.70 -162.20 -163.63 -165.05 -166.59 7.43 11 1 "[ . 1+ . 2]"
93 PHI 1 100 TRP C 1 101 GLY N 1 101 GLY CA 1 101 GLY C -79.70 -45.80 -57.36 -56.85 -58.51 2.31 9 0 "[ . 1 . 2]"
94 PSI 1 101 GLY N 1 101 GLY CA 1 101 GLY C 1 102 ARG N -56.50 -15.60 -44.18 -52.04 -31.69 . . 0 "[ . 1 . 2]"
95 PHI 1 101 GLY C 1 102 ARG N 1 102 ARG CA 1 102 ARG C -83.30 -53.30 -56.63 -66.03 -50.11 3.19 18 0 "[ . 1 . 2]"
96 PSI 1 102 ARG N 1 102 ARG CA 1 102 ARG C 1 103 ILE N -62.20 -16.20 -39.02 -56.39 -29.27 . . 0 "[ . 1 . 2]"
97 PHI 1 102 ARG C 1 103 ILE N 1 103 ILE CA 1 103 ILE C -76.50 -53.40 -66.63 -59.01 -67.31 1.48 10 0 "[ . 1 . 2]"
98 PSI 1 103 ILE N 1 103 ILE CA 1 103 ILE C 1 104 VAL N -60.00 -33.60 -45.98 -55.06 -37.39 . . 0 "[ . 1 . 2]"
99 PHI 1 103 ILE C 1 104 VAL N 1 104 VAL CA 1 104 VAL C -70.70 -50.70 -66.38 -71.20 -60.44 0.50 2 0 "[ . 1 . 2]"
100 PSI 1 104 VAL N 1 104 VAL CA 1 104 VAL C 1 105 ALA N -60.10 -33.40 -38.38 -31.71 -33.21 2.98 20 0 "[ . 1 . 2]"
101 PHI 1 104 VAL C 1 105 ALA N 1 105 ALA CA 1 105 ALA C -70.30 -50.30 -71.00 -69.87 -71.58 8.36 12 2 "[ - 1 + . 2]"
102 PSI 1 105 ALA N 1 105 ALA CA 1 105 ALA C 1 106 PHE N -51.30 -31.30 -47.30 -54.31 -34.21 3.01 20 0 "[ . 1 . 2]"
103 PHI 1 105 ALA C 1 106 PHE N 1 106 PHE CA 1 106 PHE C -89.60 -43.70 -62.93 -73.37 -54.38 . . 0 "[ . 1 . 2]"
104 PSI 1 106 PHE N 1 106 PHE CA 1 106 PHE C 1 107 PHE N -59.10 11.00 -26.11 -39.11 -16.33 . . 0 "[ . 1 . 2]"
105 PHI 1 107 PHE C 1 108 SER N 1 108 SER CA 1 108 SER C -93.80 -35.40 -68.11 -79.87 -57.81 . . 0 "[ . 1 . 2]"
106 PSI 1 108 SER N 1 108 SER CA 1 108 SER C 1 109 PHE N -53.20 -4.70 -48.38 -55.64 -31.51 2.44 8 0 "[ . 1 . 2]"
107 PHI 1 108 SER C 1 109 PHE N 1 109 PHE CA 1 109 PHE C -74.50 -54.50 -65.05 -77.66 -57.99 3.16 18 0 "[ . 1 . 2]"
108 PSI 1 109 PHE N 1 109 PHE CA 1 109 PHE C 1 110 GLY N -62.30 -8.30 -46.15 -65.13 -29.35 2.83 7 0 "[ . 1 . 2]"
109 PHI 1 111 GLY C 1 112 ALA N 1 112 ALA CA 1 112 ALA C -72.10 -49.30 -68.35 -69.99 -70.49 1.70 11 0 "[ . 1 . 2]"
110 PSI 1 112 ALA N 1 112 ALA CA 1 112 ALA C 1 113 LEU N -50.10 -30.10 -28.11 -26.50 -27.77 6.76 9 1 "[ . +1 . 2]"
111 PHI 1 114 CYS C 1 115 VAL N 1 115 VAL CA 1 115 VAL C -102.10 -31.40 -56.73 -61.82 -51.88 . . 0 "[ . 1 . 2]"
112 PSI 1 115 VAL N 1 115 VAL CA 1 115 VAL C 1 116 GLU N -64.80 27.20 -32.36 -28.45 -30.73 . . 0 "[ . 1 . 2]"
113 PHI 1 115 VAL C 1 116 GLU N 1 116 GLU CA 1 116 GLU C -91.10 -35.50 -92.52 -96.82 -89.33 5.72 9 1 "[ . +1 . 2]"
114 PSI 1 116 GLU N 1 116 GLU CA 1 116 GLU C 1 117 SER N -83.50 14.80 -29.67 -36.11 -22.49 . . 0 "[ . 1 . 2]"
115 PHI 1 116 GLU C 1 117 SER N 1 117 SER CA 1 117 SER C -72.70 -52.70 -71.63 -74.61 -67.36 1.91 2 0 "[ . 1 . 2]"
116 PSI 1 117 SER N 1 117 SER CA 1 117 SER C 1 118 VAL N -54.50 -25.60 -48.94 -45.90 -48.53 . . 0 "[ . 1 . 2]"
117 PHI 1 117 SER C 1 118 VAL N 1 118 VAL CA 1 118 VAL C -74.60 -54.60 -59.37 -66.19 -55.92 . . 0 "[ . 1 . 2]"
118 PSI 1 118 VAL N 1 118 VAL CA 1 118 VAL C 1 119 ASP N -52.50 -30.80 -37.29 -36.30 -37.80 1.78 9 0 "[ . 1 . 2]"
119 PHI 1 118 VAL C 1 119 ASP N 1 119 ASP CA 1 119 ASP C -72.70 -52.70 -73.15 -73.78 -74.00 4.06 8 0 "[ . 1 . 2]"
120 PSI 1 119 ASP N 1 119 ASP CA 1 119 ASP C 1 120 LYS N -59.40 -13.70 -14.59 -20.98 -10.90 2.80 4 0 "[ . 1 . 2]"
121 PHI 1 119 ASP C 1 120 LYS N 1 120 LYS CA 1 120 LYS C -117.60 -64.00 -113.28 -115.18 -116.02 . . 0 "[ . 1 . 2]"
122 PSI 1 120 LYS N 1 120 LYS CA 1 120 LYS C 1 121 GLU N -7.70 30.50 2.71 -15.96 8.57 8.26 7 1 "[ . + 1 . 2]"
123 PHI 1 122 MET C 1 123 GLN N 1 123 GLN CA 1 123 GLN C -90.80 -35.70 -75.57 -69.43 -71.21 . . 0 "[ . 1 . 2]"
124 PSI 1 123 GLN N 1 123 GLN CA 1 123 GLN C 1 124 VAL N -60.30 25.00 6.88 -2.24 12.31 . . 0 "[ . 1 . 2]"
125 PHI 1 123 GLN C 1 124 VAL N 1 124 VAL CA 1 124 VAL C -96.00 -48.00 -86.98 -81.02 -85.27 . . 0 "[ . 1 . 2]"
126 PSI 1 124 VAL N 1 124 VAL CA 1 124 VAL C 1 125 LEU N -47.00 17.60 -21.65 -25.70 -16.67 . . 0 "[ . 1 . 2]"
127 PHI 1 125 LEU C 1 126 VAL N 1 126 VAL CA 1 126 VAL C -71.20 -51.20 -53.46 -51.07 -52.02 0.28 16 0 "[ . 1 . 2]"
128 PSI 1 126 VAL N 1 126 VAL CA 1 126 VAL C 1 127 SER N -57.00 -30.10 -37.00 -42.45 -29.41 0.69 7 0 "[ . 1 . 2]"
129 PHI 1 126 VAL C 1 127 SER N 1 127 SER CA 1 127 SER C -87.80 -49.10 -60.58 -77.45 -55.22 . . 0 "[ . 1 . 2]"
130 PSI 1 127 SER N 1 127 SER CA 1 127 SER C 1 128 ARG N -64.40 13.20 -34.29 -42.11 -29.79 . . 0 "[ . 1 . 2]"
131 PHI 1 127 SER C 1 128 ARG N 1 128 ARG CA 1 128 ARG C -83.10 -54.80 -75.42 -75.53 -76.03 . . 0 "[ . 1 . 2]"
132 PSI 1 128 ARG N 1 128 ARG CA 1 128 ARG C 1 129 ILE N -58.70 -1.80 -46.55 -39.95 -42.24 3.85 13 0 "[ . 1 . 2]"
133 PHI 1 128 ARG C 1 129 ILE N 1 129 ILE CA 1 129 ILE C -72.30 -52.30 -57.49 -67.91 -51.89 0.41 9 0 "[ . 1 . 2]"
134 PSI 1 129 ILE N 1 129 ILE CA 1 129 ILE C 1 130 ALA N -53.30 -33.30 -43.95 -55.06 -32.24 1.76 15 0 "[ . 1 . 2]"
135 PHI 1 129 ILE C 1 130 ALA N 1 130 ALA CA 1 130 ALA C -72.20 -50.80 -59.82 -71.25 -54.29 . . 0 "[ . 1 . 2]"
136 PSI 1 130 ALA N 1 130 ALA CA 1 130 ALA C 1 131 ALA N -52.00 -19.00 -43.49 -24.30 -38.18 . . 0 "[ . 1 . 2]"
137 PHI 1 130 ALA C 1 131 ALA N 1 131 ALA CA 1 131 ALA C -76.80 -51.60 -71.38 -69.07 -70.41 2.41 17 0 "[ . 1 . 2]"
138 PSI 1 131 ALA N 1 131 ALA CA 1 131 ALA C 1 132 TRP N -53.80 -33.80 -39.67 -54.56 -31.13 2.67 19 0 "[ . 1 . 2]"
139 PHI 1 131 ALA C 1 132 TRP N 1 132 TRP CA 1 132 TRP C -78.10 -51.30 -61.50 -73.97 -55.43 . . 0 "[ . 1 . 2]"
140 PSI 1 132 TRP N 1 132 TRP CA 1 132 TRP C 1 133 MET N -52.20 -32.20 -39.27 -31.70 -34.09 3.81 12 0 "[ . 1 . 2]"
141 PHI 1 132 TRP C 1 133 MET N 1 133 MET CA 1 133 MET C -70.70 -50.40 -56.97 -69.89 -51.15 . . 0 "[ . 1 . 2]"
142 PSI 1 133 MET N 1 133 MET CA 1 133 MET C 1 134 ALA N -50.40 -30.40 -47.12 -52.92 -34.19 2.52 3 0 "[ . 1 . 2]"
143 PHI 1 133 MET C 1 134 ALA N 1 134 ALA CA 1 134 ALA C -77.00 -54.10 -70.10 -72.16 -74.37 4.77 11 0 "[ . 1 . 2]"
144 PSI 1 134 ALA N 1 134 ALA CA 1 134 ALA C 1 135 THR N -51.30 -26.20 -39.03 -30.75 -40.00 0.01 19 0 "[ . 1 . 2]"
145 PHI 1 134 ALA C 1 135 THR N 1 135 THR CA 1 135 THR C -80.20 -54.50 -61.01 -75.90 -54.27 0.23 5 0 "[ . 1 . 2]"
146 PSI 1 135 THR N 1 135 THR CA 1 135 THR C 1 136 TYR N -52.80 -32.80 -44.14 -52.90 -32.60 0.20 12 0 "[ . 1 . 2]"
147 PHI 1 135 THR C 1 136 TYR N 1 136 TYR CA 1 136 TYR C -70.90 -49.30 -70.46 -72.51 -73.96 4.01 1 0 "[ . 1 . 2]"
148 PSI 1 136 TYR N 1 136 TYR CA 1 136 TYR C 1 137 LEU N -64.90 -20.30 -46.20 -48.29 -51.38 . . 0 "[ . 1 . 2]"
149 PHI 1 136 TYR C 1 137 LEU N 1 137 LEU CA 1 137 LEU C -73.00 -53.00 -56.77 -57.95 -58.36 . . 0 "[ . 1 . 2]"
150 PSI 1 137 LEU N 1 137 LEU CA 1 137 LEU C 1 138 ASN N -50.30 -30.30 -42.41 -48.74 -31.79 . . 0 "[ . 1 . 2]"
151 PHI 1 137 LEU C 1 138 ASN N 1 138 ASN CA 1 138 ASN C -76.10 -53.20 -73.01 -73.86 -74.49 1.26 5 0 "[ . 1 . 2]"
152 PSI 1 138 ASN N 1 138 ASN CA 1 138 ASN C 1 139 ASP N -54.00 -33.20 -34.43 -43.97 -31.30 1.90 9 0 "[ . 1 . 2]"
153 PHI 1 138 ASN C 1 139 ASP N 1 139 ASP CA 1 139 ASP C -92.30 -46.30 -57.58 -55.36 -56.48 10.43 12 1 "[ . 1 + . 2]"
154 PSI 1 139 ASP N 1 139 ASP CA 1 139 ASP C 1 140 HIS N -56.10 6.50 -49.51 -55.90 6.94 0.44 11 0 "[ . 1 . 2]"
155 PHI 1 143 PRO C 1 144 TRP N 1 144 TRP CA 1 144 TRP C -80.00 -52.30 -70.76 -80.31 -55.31 0.31 19 0 "[ . 1 . 2]"
156 PSI 1 144 TRP N 1 144 TRP CA 1 144 TRP C 1 145 ILE N -61.50 -22.60 -51.54 -60.88 -31.62 . . 0 "[ . 1 . 2]"
157 PHI 1 144 TRP C 1 145 ILE N 1 145 ILE CA 1 145 ILE C -75.80 -53.20 -59.67 -59.43 -60.45 . . 0 "[ . 1 . 2]"
158 PSI 1 145 ILE N 1 145 ILE CA 1 145 ILE C 1 146 GLN N -53.90 -33.90 -37.50 -37.83 -41.83 3.05 12 0 "[ . 1 . 2]"
159 PHI 1 145 ILE C 1 146 GLN N 1 146 GLN CA 1 146 GLN C -69.70 -49.70 -64.98 -66.23 -67.77 4.71 12 0 "[ . 1 . 2]"
160 PSI 1 146 GLN N 1 146 GLN CA 1 146 GLN C 1 147 GLU N -55.50 -20.80 -48.97 -55.31 -26.73 . . 0 "[ . 1 . 2]"
161 PHI 1 146 GLN C 1 147 GLU N 1 147 GLU CA 1 147 GLU C -96.30 -50.60 -65.22 -73.65 -55.63 . . 0 "[ . 1 . 2]"
162 PSI 1 147 GLU N 1 147 GLU CA 1 147 GLU C 1 148 ASN N -68.20 29.10 -36.08 -55.38 -9.50 . . 0 "[ . 1 . 2]"
163 PHI 1 150 GLY C 1 151 TRP N 1 151 TRP CA 1 151 TRP C -65.70 -45.70 -58.07 -66.14 -53.29 0.44 11 0 "[ . 1 . 2]"
164 PSI 1 151 TRP N 1 151 TRP CA 1 151 TRP C 1 152 ASP N -56.90 -31.80 -33.68 -39.39 -29.86 1.94 13 0 "[ . 1 . 2]"
165 PHI 1 151 TRP C 1 152 ASP N 1 152 ASP CA 1 152 ASP C -76.70 -56.70 -63.56 -58.55 -59.57 . . 0 "[ . 1 . 2]"
166 PSI 1 152 ASP N 1 152 ASP CA 1 152 ASP C 1 153 THR N -47.70 -27.70 -35.47 -40.77 -41.35 5.55 17 1 "[ . 1 . + 2]"
167 PHI 1 152 ASP C 1 153 THR N 1 153 THR CA 1 153 THR C -86.50 -47.90 -74.99 -71.57 -72.87 . . 0 "[ . 1 . 2]"
168 PSI 1 153 THR N 1 153 THR CA 1 153 THR C 1 154 PHE N -52.80 -19.70 -35.80 -49.44 -27.77 . . 0 "[ . 1 . 2]"
169 PHI 1 153 THR C 1 154 PHE N 1 154 PHE CA 1 154 PHE C -73.00 -47.40 -65.36 -58.28 -59.60 6.87 16 2 "[ . 1 .+ -]"
170 PSI 1 154 PHE N 1 154 PHE CA 1 154 PHE C 1 155 VAL N -69.80 -7.40 -48.92 -55.53 -58.20 . . 0 "[ . 1 . 2]"
171 PHI 1 154 PHE C 1 155 VAL N 1 155 VAL CA 1 155 VAL C -90.00 -41.60 -64.59 -81.97 -55.04 . . 0 "[ . 1 . 2]"
172 PSI 1 155 VAL N 1 155 VAL CA 1 155 VAL C 1 156 GLU N -55.70 -24.10 -36.16 -27.74 -31.79 . . 0 "[ . 1 . 2]"
173 PHI 1 155 VAL C 1 156 GLU N 1 156 GLU CA 1 156 GLU C -90.60 -46.80 -71.62 -68.02 -69.60 . . 0 "[ . 1 . 2]"
174 PSI 1 156 GLU N 1 156 GLU CA 1 156 GLU C 1 157 LEU N -60.00 -4.60 -23.35 -42.49 -10.42 . . 0 "[ . 1 . 2]"
175 PHI 1 156 GLU C 1 157 LEU N 1 157 LEU CA 1 157 LEU C -82.70 -44.30 -76.12 -86.14 -62.09 3.44 2 0 "[ . 1 . 2]"
176 PSI 1 157 LEU N 1 157 LEU CA 1 157 LEU C 1 158 TYR N -55.30 -16.10 -49.45 -58.68 -34.75 3.38 10 0 "[ . 1 . 2]"
177 PHI 1 157 LEU C 1 158 TYR N 1 158 TYR CA 1 158 TYR C -120.00 -57.30 -86.57 -75.60 -78.12 . . 0 "[ . 1 . 2]"
178 PSI 1 158 TYR N 1 158 TYR CA 1 158 TYR C 1 159 GLY N -22.60 26.40 -12.76 -5.91 -24.37 6.57 20 1 "[ . 1 . +]"
179 PHI 1 161 ASN C 1 162 ALA N 1 162 ALA CA 1 162 ALA C -107.70 -36.10 -83.52 -117.91 -54.30 10.21 7 1 "[ . + 1 . 2]"
180 PSI 1 162 ALA N 1 162 ALA CA 1 162 ALA C 1 163 ALA N -81.70 35.30 -20.12 -79.61 27.19 . . 0 "[ . 1 . 2]"
181 PHI 1 162 ALA C 1 163 ALA N 1 163 ALA CA 1 163 ALA C -107.50 -37.40 -90.82 -65.11 -86.00 6.40 7 1 "[ . + 1 . 2]"
182 PSI 1 163 ALA N 1 163 ALA CA 1 163 ALA C 1 164 ALA N -79.20 34.90 -9.18 -73.99 33.11 . . 0 "[ . 1 . 2]"
183 PHI 1 163 ALA C 1 164 ALA N 1 164 ALA CA 1 164 ALA C -104.80 -36.00 -90.49 -112.30 -52.48 7.50 7 1 "[ . + 1 . 2]"
184 PSI 1 164 ALA N 1 164 ALA CA 1 164 ALA C 1 165 GLU N -80.00 35.20 -6.21 21.13 -29.28 . . 0 "[ . 1 . 2]"
185 PHI 2 2 GLU C 2 3 GLN N 2 3 GLN CA 2 3 GLN C -93.40 -45.30 -84.45 -97.67 -57.09 4.27 6 0 "[ . 1 . 2]"
186 PSI 2 3 GLN N 2 3 GLN CA 2 3 GLN C 2 4 TRP N -69.90 -1.60 -39.69 -63.10 -22.42 . . 0 "[ . 1 . 2]"
187 PHI 2 3 GLN C 2 4 TRP N 2 4 TRP CA 2 4 TRP C -84.40 -43.70 -74.68 -70.30 -76.60 2.89 5 0 "[ . 1 . 2]"
188 PSI 2 4 TRP N 2 4 TRP CA 2 4 TRP C 2 5 ALA N -62.40 -13.00 -16.34 -26.29 -10.12 2.88 19 0 "[ . 1 . 2]"
189 PHI 2 4 TRP C 2 5 ALA N 2 5 ALA CA 2 5 ALA C -90.80 -38.60 -58.29 -56.36 -56.80 . . 0 "[ . 1 . 2]"
190 PSI 2 5 ALA N 2 5 ALA CA 2 5 ALA C 2 6 ARG N -65.80 -4.60 -23.34 -36.20 -18.10 . . 0 "[ . 1 . 2]"
191 PHI 2 6 ARG C 2 7 GLU N 2 7 GLU CA 2 7 GLU C -87.20 -49.20 -85.28 -88.98 -90.56 5.87 15 1 "[ . 1 + 2]"
192 PSI 2 7 GLU N 2 7 GLU CA 2 7 GLU C 2 8 ILE N -56.50 -17.70 -38.33 -55.87 -30.24 . . 0 "[ . 1 . 2]"
193 PHI 2 7 GLU C 2 8 ILE N 2 8 ILE CA 2 8 ILE C -77.00 -55.90 -56.99 -56.92 -57.36 1.04 11 0 "[ . 1 . 2]"
194 PSI 2 8 ILE N 2 8 ILE CA 2 8 ILE C 2 9 GLY N -47.90 -27.90 -28.10 -27.81 -28.20 3.06 6 0 "[ . 1 . 2]"
195 PHI 2 9 GLY C 2 10 ALA N 2 10 ALA CA 2 10 ALA C -76.70 -56.60 -68.92 -64.34 -65.30 . . 0 "[ . 1 . 2]"
196 PSI 2 10 ALA N 2 10 ALA CA 2 10 ALA C 2 11 GLN N -63.40 -11.30 -48.98 -51.71 -52.89 . . 0 "[ . 1 . 2]"
197 PHI 2 10 ALA C 2 11 GLN N 2 11 GLN CA 2 11 GLN C -76.00 -56.00 -64.91 -73.54 -58.94 . . 0 "[ . 1 . 2]"
198 PSI 2 11 GLN N 2 11 GLN CA 2 11 GLN C 2 12 LEU N -50.90 -30.90 -30.83 -28.30 -28.86 4.10 11 0 "[ . 1 . 2]"
199 PHI 2 11 GLN C 2 12 LEU N 2 12 LEU CA 2 12 LEU C -74.80 -54.20 -72.61 -80.43 -66.63 5.63 8 1 "[ . + 1 . 2]"
200 PSI 2 12 LEU N 2 12 LEU CA 2 12 LEU C 2 13 ARG N -55.30 -27.40 -49.15 -57.00 -31.08 1.70 9 0 "[ . 1 . 2]"
201 PHI 2 12 LEU C 2 13 ARG N 2 13 ARG CA 2 13 ARG C -94.90 -36.00 -66.66 -83.87 -59.52 . . 0 "[ . 1 . 2]"
202 PSI 2 13 ARG N 2 13 ARG CA 2 13 ARG C 2 14 ARG N -65.30 -11.50 -17.32 -21.08 -22.96 3.15 19 0 "[ . 1 . 2]"
203 PHI 2 13 ARG C 2 14 ARG N 2 14 ARG CA 2 14 ARG C -114.60 -28.20 -53.49 -53.25 -54.29 . . 0 "[ . 1 . 2]"
204 PSI 2 14 ARG N 2 14 ARG CA 2 14 ARG C 2 15 MET N -69.70 0.70 -60.68 -60.95 -61.48 . . 0 "[ . 1 . 2]"
205 PHI 2 14 ARG C 2 15 MET N 2 15 MET CA 2 15 MET C -74.10 -46.10 -79.04 -87.40 -64.05 13.30 15 9 "[ **.* *1* * + -*2]"
206 PSI 2 15 MET N 2 15 MET CA 2 15 MET C 2 16 ALA N -60.00 -26.30 -36.58 -29.80 -31.37 6.53 15 1 "[ . 1 + 2]"
207 PHI 2 15 MET C 2 16 ALA N 2 16 ALA CA 2 16 ALA C -79.20 -44.50 -57.70 -55.95 -56.09 . . 0 "[ . 1 . 2]"
208 PSI 2 16 ALA N 2 16 ALA CA 2 16 ALA C 2 17 ASP N -56.40 -25.20 -29.07 -40.19 -22.45 2.75 16 0 "[ . 1 . 2]"
209 PHI 2 16 ALA C 2 17 ASP N 2 17 ASP CA 2 17 ASP C -121.80 -40.70 -57.15 -76.77 -48.64 . . 0 "[ . 1 . 2]"
210 PSI 2 17 ASP N 2 17 ASP CA 2 17 ASP C 2 18 ASP N -80.70 54.90 -13.43 40.85 -4.06 . . 0 "[ . 1 . 2]"
211 PHI 2 18 ASP C 2 19 LEU N 2 19 LEU CA 2 19 LEU C -92.10 -39.70 -49.12 -60.82 -41.77 . . 0 "[ . 1 . 2]"
212 PSI 2 19 LEU N 2 19 LEU CA 2 19 LEU C 2 20 ASN N -65.10 -10.40 -31.44 -25.37 -26.24 . . 0 "[ . 1 . 2]"
213 PHI 2 19 LEU C 2 20 ASN N 2 20 ASN CA 2 20 ASN C -82.20 -51.50 -55.16 -52.98 -54.69 3.75 5 0 "[ . 1 . 2]"
214 PSI 2 20 ASN N 2 20 ASN CA 2 20 ASN C 2 21 ALA N -52.90 -32.70 -30.47 -30.62 -32.03 6.97 12 2 "[ . 1 + . - 2]"
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