Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
562159 | 2m72 RC | 19169 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2m72
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 208
_TA_constraint_stats_list.Viol_count 287
_TA_constraint_stats_list.Viol_total 9591.55
_TA_constraint_stats_list.Viol_max 5.58
_TA_constraint_stats_list.Viol_rms 0.54
_TA_constraint_stats_list.Viol_average_all_restraints 0.12
_TA_constraint_stats_list.Viol_average_violations_only 1.67
_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 11 ALA C 1 12 VAL N 1 12 VAL CA 1 12 VAL C -150.40 -90.40 -124.34 -133.26 -117.92 . . 0 "[ . 1 . 2]"
2 . 1 12 VAL N 1 12 VAL CA 1 12 VAL C 1 13 SER N 107.80 167.80 136.41 149.33 138.84 . . 0 "[ . 1 . 2]"
3 . 1 12 VAL C 1 13 SER N 1 13 SER CA 1 13 SER C -136.70 -76.70 -92.09 -110.21 -77.50 . . 0 "[ . 1 . 2]"
4 . 1 13 SER N 1 13 SER CA 1 13 SER C 1 14 LEU N 94.70 154.70 113.15 126.35 117.29 . . 0 "[ . 1 . 2]"
5 . 1 13 SER C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -147.20 -87.20 -113.51 -134.34 -99.60 . . 0 "[ . 1 . 2]"
6 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 LYS N 115.90 175.90 174.30 165.31 178.15 2.25 6 0 "[ . 1 . 2]"
7 . 1 14 LEU C 1 15 LYS N 1 15 LYS CA 1 15 LYS C -154.40 -94.40 -110.09 -114.61 -116.28 . . 0 "[ . 1 . 2]"
8 . 1 15 LYS N 1 15 LYS CA 1 15 LYS C 1 16 ASN N 122.30 -177.70 132.80 129.61 128.07 . . 0 "[ . 1 . 2]"
9 . 1 15 LYS C 1 16 ASN N 1 16 ASN CA 1 16 ASN C -131.10 -71.10 -89.56 -101.77 -75.77 . . 0 "[ . 1 . 2]"
10 . 1 16 ASN N 1 16 ASN CA 1 16 ASN C 1 17 ILE N 142.40 -157.60 -177.11 -175.14 -175.31 . . 0 "[ . 1 . 2]"
11 . 1 19 GLY C 1 20 LYS N 1 20 LYS CA 1 20 LYS C -122.40 -62.40 -94.62 -96.45 -99.84 . . 0 "[ . 1 . 2]"
12 . 1 20 LYS N 1 20 LYS CA 1 20 LYS C 1 21 THR N 108.20 168.20 142.77 144.26 142.50 . . 0 "[ . 1 . 2]"
13 . 1 20 LYS C 1 21 THR N 1 21 THR CA 1 21 THR C -134.60 -74.60 -77.23 -83.71 -73.43 1.17 3 0 "[ . 1 . 2]"
14 . 1 21 THR N 1 21 THR CA 1 21 THR C 1 22 VAL N 94.50 154.50 113.90 114.00 111.86 . . 0 "[ . 1 . 2]"
15 . 1 21 THR C 1 22 VAL N 1 22 VAL CA 1 22 VAL C -150.50 -90.50 -121.20 -128.82 -112.08 . . 0 "[ . 1 . 2]"
16 . 1 22 VAL N 1 22 VAL CA 1 22 VAL C 1 23 GLN N 111.50 171.50 136.21 134.11 132.44 . . 0 "[ . 1 . 2]"
17 . 1 22 VAL C 1 23 GLN N 1 23 GLN CA 1 23 GLN C -122.80 -62.80 -94.80 -89.58 -90.01 . . 0 "[ . 1 . 2]"
18 . 1 23 GLN N 1 23 GLN CA 1 23 GLN C 1 24 THR N 135.60 -164.40 134.46 133.68 133.11 3.43 20 0 "[ . 1 . 2]"
19 . 1 31 GLY C 1 32 LYS N 1 32 LYS CA 1 32 LYS C -128.00 -68.00 -115.14 -129.13 -91.40 1.13 12 0 "[ . 1 . 2]"
20 . 1 32 LYS N 1 32 LYS CA 1 32 LYS C 1 33 PRO N 90.00 150.00 150.67 143.42 153.60 3.60 18 0 "[ . 1 . 2]"
21 . 1 32 LYS C 1 33 PRO N 1 33 PRO CA 1 33 PRO C -96.00 -36.00 -66.15 -62.69 -63.46 . . 0 "[ . 1 . 2]"
22 . 1 33 PRO N 1 33 PRO CA 1 33 PRO C 1 34 MET N 119.00 179.00 154.98 155.01 154.16 . . 0 "[ . 1 . 2]"
23 . 1 33 PRO C 1 34 MET N 1 34 MET CA 1 34 MET C -169.00 -109.00 -136.91 -129.92 -131.42 . . 0 "[ . 1 . 2]"
24 . 1 34 MET N 1 34 MET CA 1 34 MET C 1 35 ILE N 123.00 -177.00 156.03 152.77 149.33 . . 0 "[ . 1 . 2]"
25 . 1 34 MET C 1 35 ILE N 1 35 ILE CA 1 35 ILE C -161.00 -101.00 -128.81 -150.10 -120.43 . . 0 "[ . 1 . 2]"
26 . 1 35 ILE N 1 35 ILE CA 1 35 ILE C 1 36 ILE N 101.00 161.00 124.44 117.28 130.77 . . 0 "[ . 1 . 2]"
27 . 1 35 ILE C 1 36 ILE N 1 36 ILE CA 1 36 ILE C -145.00 -85.00 -98.46 -97.99 -98.51 . . 0 "[ . 1 . 2]"
28 . 1 36 ILE N 1 36 ILE CA 1 36 ILE C 1 37 SER N 97.00 157.00 122.20 112.25 131.20 . . 0 "[ . 1 . 2]"
29 . 1 36 ILE C 1 37 SER N 1 37 SER CA 1 37 SER C -144.00 -84.00 -108.58 -118.93 -102.58 . . 0 "[ . 1 . 2]"
30 . 1 37 SER N 1 37 SER CA 1 37 SER C 1 38 PHE N 97.00 157.00 120.55 111.83 130.65 . . 0 "[ . 1 . 2]"
31 . 1 37 SER C 1 38 PHE N 1 38 PHE CA 1 38 PHE C -144.00 -84.00 -93.87 -90.80 -93.76 . . 0 "[ . 1 . 2]"
32 . 1 38 PHE N 1 38 PHE CA 1 38 PHE C 1 39 PHE N 98.00 158.00 117.91 109.46 125.82 . . 0 "[ . 1 . 2]"
33 . 1 38 PHE C 1 39 PHE N 1 39 PHE CA 1 39 PHE C -165.00 -105.00 -139.49 -140.38 -142.00 . . 0 "[ . 1 . 2]"
34 . 1 39 PHE N 1 39 PHE CA 1 39 PHE C 1 40 ALA N 129.00 -171.00 166.57 164.38 163.04 . . 0 "[ . 1 . 2]"
35 . 1 39 PHE C 1 40 ALA N 1 40 ALA CA 1 40 ALA C -164.00 -40.00 -96.55 -115.95 -75.70 . . 0 "[ . 1 . 2]"
36 . 1 40 ALA N 1 40 ALA CA 1 40 ALA C 1 41 THR N 131.00 -169.00 158.32 140.28 -167.59 1.41 18 0 "[ . 1 . 2]"
37 . 1 48 ARG C 1 49 GLU N 1 49 GLU CA 1 49 GLU C -94.00 -34.00 -61.30 -68.38 -70.92 . . 0 "[ . 1 . 2]"
38 . 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 LEU N -75.00 -15.00 -54.85 -67.28 -44.94 . . 0 "[ . 1 . 2]"
39 . 1 49 GLU C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -94.00 -34.00 -62.70 -65.73 -60.86 . . 0 "[ . 1 . 2]"
40 . 1 50 LEU N 1 50 LEU CA 1 50 LEU C 1 51 LYS N -69.00 -9.00 -41.59 -42.85 -43.43 . . 0 "[ . 1 . 2]"
41 . 1 50 LEU C 1 51 LYS N 1 51 LYS CA 1 51 LYS C -97.00 -37.00 -63.29 -62.71 -63.45 . . 0 "[ . 1 . 2]"
42 . 1 51 LYS N 1 51 LYS CA 1 51 LYS C 1 52 ALA N -70.00 -10.00 -48.21 -53.98 -45.24 . . 0 "[ . 1 . 2]"
43 . 1 51 LYS C 1 52 ALA N 1 52 ALA CA 1 52 ALA C -91.00 -31.00 -64.56 -61.91 -62.50 . . 0 "[ . 1 . 2]"
44 . 1 52 ALA N 1 52 ALA CA 1 52 ALA C 1 53 ILE N -74.00 -14.00 -43.30 -44.80 -46.12 . . 0 "[ . 1 . 2]"
45 . 1 52 ALA C 1 53 ILE N 1 53 ILE CA 1 53 ILE C -93.00 -33.00 -64.67 -68.71 -63.72 . . 0 "[ . 1 . 2]"
46 . 1 53 ILE N 1 53 ILE CA 1 53 ILE C 1 54 GLN N -72.00 -12.00 -40.97 -43.16 -30.92 . . 0 "[ . 1 . 2]"
47 . 1 53 ILE C 1 54 GLN N 1 54 GLN CA 1 54 GLN C -93.00 -33.00 -54.92 -60.21 -50.78 . . 0 "[ . 1 . 2]"
48 . 1 54 GLN N 1 54 GLN CA 1 54 GLN C 1 55 GLU N -66.00 -6.00 -37.62 -40.86 -41.31 . . 0 "[ . 1 . 2]"
49 . 1 54 GLN C 1 55 GLU N 1 55 GLU CA 1 55 GLU C -96.00 -36.00 -69.41 -66.29 -66.58 . . 0 "[ . 1 . 2]"
50 . 1 55 GLU N 1 55 GLU CA 1 55 GLU C 1 56 VAL N -60.00 0.00 -40.27 -48.25 -31.86 . . 0 "[ . 1 . 2]"
51 . 1 56 VAL C 1 57 TYR N 1 57 TYR CA 1 57 TYR C -86.00 -26.00 -60.33 -63.37 -58.15 . . 0 "[ . 1 . 2]"
52 . 1 57 TYR N 1 57 TYR CA 1 57 TYR C 1 58 ALA N -72.00 -12.00 -38.45 -41.56 -44.48 . . 0 "[ . 1 . 2]"
53 . 1 57 TYR C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -90.00 -30.00 -61.93 -62.92 -63.26 . . 0 "[ . 1 . 2]"
54 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 ASP N -72.00 -12.00 -37.99 -40.07 -36.30 . . 0 "[ . 1 . 2]"
55 . 1 58 ALA C 1 59 ASP N 1 59 ASP CA 1 59 ASP C -97.00 -37.00 -64.94 -71.16 -61.14 . . 0 "[ . 1 . 2]"
56 . 1 59 ASP N 1 59 ASP CA 1 59 ASP C 1 60 TRP N -70.00 -10.00 -41.48 -43.87 -36.24 . . 0 "[ . 1 . 2]"
57 . 1 59 ASP C 1 60 TRP N 1 60 TRP CA 1 60 TRP C -94.00 -34.00 -68.59 -73.58 -63.77 . . 0 "[ . 1 . 2]"
58 . 1 60 TRP N 1 60 TRP CA 1 60 TRP C 1 61 GLN N -72.00 -12.00 -38.03 -38.93 -40.51 . . 0 "[ . 1 . 2]"
59 . 1 60 TRP C 1 61 GLN N 1 61 GLN CA 1 61 GLN C -92.00 -32.00 -76.76 -85.15 -64.61 . . 0 "[ . 1 . 2]"
60 . 1 61 GLN N 1 61 GLN CA 1 61 GLN C 1 62 ASP N -69.00 -9.00 -12.06 -15.80 -21.51 2.40 7 0 "[ . 1 . 2]"
61 . 1 61 GLN C 1 62 ASP N 1 62 ASP CA 1 62 ASP C -93.00 -33.00 -56.70 -54.59 -57.83 . . 0 "[ . 1 . 2]"
62 . 1 62 ASP N 1 62 ASP CA 1 62 ASP C 1 63 GLU N -74.00 -14.00 -50.49 -64.33 -39.79 . . 0 "[ . 1 . 2]"
63 . 1 66 VAL C 1 67 ARG N 1 67 ARG CA 1 67 ARG C -153.00 -93.00 -106.40 -106.79 -108.46 . . 0 "[ . 1 . 2]"
64 . 1 67 ARG N 1 67 ARG CA 1 67 ARG C 1 68 LEU N 109.00 169.00 156.14 129.85 169.15 0.15 17 0 "[ . 1 . 2]"
65 . 1 67 ARG C 1 68 LEU N 1 68 LEU CA 1 68 LEU C -139.00 -79.00 -104.90 -111.94 -112.16 . . 0 "[ . 1 . 2]"
66 . 1 68 LEU N 1 68 LEU CA 1 68 LEU C 1 69 ILE N 94.00 154.00 138.35 129.41 148.19 . . 0 "[ . 1 . 2]"
67 . 1 68 LEU C 1 69 ILE N 1 69 ILE CA 1 69 ILE C -135.00 -75.00 -113.45 -110.02 -110.78 . . 0 "[ . 1 . 2]"
68 . 1 69 ILE N 1 69 ILE CA 1 69 ILE C 1 70 ALA N 89.00 149.00 108.84 99.32 118.68 . . 0 "[ . 1 . 2]"
69 . 1 69 ILE C 1 70 ALA N 1 70 ALA CA 1 70 ALA C -144.00 -84.00 -93.11 -100.38 -85.27 . . 0 "[ . 1 . 2]"
70 . 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1 71 VAL N 97.00 157.00 114.77 113.21 112.19 . . 0 "[ . 1 . 2]"
71 . 1 70 ALA C 1 71 VAL N 1 71 VAL CA 1 71 VAL C -141.00 -81.00 -117.50 -123.73 -107.01 . . 0 "[ . 1 . 2]"
72 . 1 71 VAL N 1 71 VAL CA 1 71 VAL C 1 72 SER N 102.00 162.00 130.56 123.49 136.43 . . 0 "[ . 1 . 2]"
73 . 1 71 VAL C 1 72 SER N 1 72 SER CA 1 72 SER C -117.00 -57.00 -86.01 -91.02 -80.06 . . 0 "[ . 1 . 2]"
74 . 1 72 SER N 1 72 SER CA 1 72 SER C 1 73 ILE N 64.00 -156.00 133.67 126.34 120.23 . . 0 "[ . 1 . 2]"
75 . 1 76 GLY C 1 77 GLN N 1 77 GLN CA 1 77 GLN C -94.00 -34.00 -62.40 -70.50 -41.41 . . 0 "[ . 1 . 2]"
76 . 1 77 GLN N 1 77 GLN CA 1 77 GLN C 1 78 ASN N -68.00 -8.00 -47.38 -40.70 -41.78 . . 0 "[ . 1 . 2]"
77 . 1 77 GLN C 1 78 ASN N 1 78 ASN CA 1 78 ASN C -89.00 -29.00 -75.52 -90.41 -66.35 1.41 20 0 "[ . 1 . 2]"
78 . 1 78 ASN N 1 78 ASN CA 1 78 ASN C 1 79 ALA N -71.00 -11.00 -36.64 -32.65 -32.99 . . 0 "[ . 1 . 2]"
79 . 1 78 ASN C 1 79 ALA N 1 79 ALA CA 1 79 ALA C -93.00 -33.00 -71.05 -85.62 -65.53 . . 0 "[ . 1 . 2]"
80 . 1 79 ALA N 1 79 ALA CA 1 79 ALA C 1 80 GLN N -66.00 -6.00 -4.72 -2.35 -3.20 3.94 2 0 "[ . 1 . 2]"
81 . 1 79 ALA C 1 80 GLN N 1 80 GLN CA 1 80 GLN C -101.00 -41.00 -62.08 -58.29 -59.52 . . 0 "[ . 1 . 2]"
82 . 1 80 GLN N 1 80 GLN CA 1 80 GLN C 1 81 LYS N -62.00 -2.00 -14.31 -24.10 -4.42 . . 0 "[ . 1 . 2]"
83 . 1 80 GLN C 1 81 LYS N 1 81 LYS CA 1 81 LYS C -113.20 -53.20 -91.31 -85.93 -88.69 . . 0 "[ . 1 . 2]"
84 . 1 81 LYS N 1 81 LYS CA 1 81 LYS C 1 82 VAL N -50.50 9.50 -10.44 -17.56 -1.21 . . 0 "[ . 1 . 2]"
85 . 1 81 LYS C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -91.90 -31.90 -65.59 -66.96 -68.58 . . 0 "[ . 1 . 2]"
86 . 1 82 VAL N 1 82 VAL CA 1 82 VAL C 1 83 LYS N -72.80 -12.80 -47.84 -47.13 -47.36 . . 0 "[ . 1 . 2]"
87 . 1 82 VAL C 1 83 LYS N 1 83 LYS CA 1 83 LYS C -87.10 -27.10 -67.65 -73.71 -62.55 . . 0 "[ . 1 . 2]"
88 . 1 83 LYS N 1 83 LYS CA 1 83 LYS C 1 84 PRO N -77.70 -17.70 -42.62 -43.69 -44.23 . . 0 "[ . 1 . 2]"
89 . 1 83 LYS C 1 84 PRO N 1 84 PRO CA 1 84 PRO C -87.60 -27.60 -61.13 -62.90 -58.69 . . 0 "[ . 1 . 2]"
90 . 1 84 PRO N 1 84 PRO CA 1 84 PRO C 1 85 LEU N -67.00 -7.00 -30.51 -29.06 -29.56 . . 0 "[ . 1 . 2]"
91 . 1 84 PRO C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -95.20 -35.20 -63.46 -64.96 -61.71 . . 0 "[ . 1 . 2]"
92 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 ALA N -70.20 -10.20 -42.67 -42.84 -43.63 . . 0 "[ . 1 . 2]"
93 . 1 85 LEU C 1 86 ALA N 1 86 ALA CA 1 86 ALA C -96.30 -36.30 -59.12 -58.92 -59.70 . . 0 "[ . 1 . 2]"
94 . 1 86 ALA N 1 86 ALA CA 1 86 ALA C 1 87 ASP N -71.30 -11.30 -43.81 -50.36 -34.29 . . 0 "[ . 1 . 2]"
95 . 1 86 ALA C 1 87 ASP N 1 87 ASP CA 1 87 ASP C -92.60 -32.60 -68.71 -75.06 -63.22 . . 0 "[ . 1 . 2]"
96 . 1 87 ASP N 1 87 ASP CA 1 87 ASP C 1 88 GLY N -68.40 -8.40 -43.45 -42.94 -44.52 . . 0 "[ . 1 . 2]"
97 . 1 87 ASP C 1 88 GLY N 1 88 GLY CA 1 88 GLY C -95.00 -35.00 -69.14 -89.18 -62.75 . . 0 "[ . 1 . 2]"
98 . 1 88 GLY N 1 88 GLY CA 1 88 GLY C 1 89 ASN N -52.90 7.10 -43.69 -51.67 -33.88 . . 0 "[ . 1 . 2]"
99 . 1 88 GLY C 1 89 ASN N 1 89 ASN CA 1 89 ASN C -124.00 -64.00 -80.93 -99.59 -67.46 . . 0 "[ . 1 . 2]"
100 . 1 89 ASN N 1 89 ASN CA 1 89 ASN C 1 90 GLY N -33.00 27.00 -20.67 -34.10 -34.45 1.81 13 0 "[ . 1 . 2]"
101 . 1 93 TYR C 1 94 GLU N 1 94 GLU CA 1 94 GLU C -125.00 -65.00 -82.54 -104.30 -70.39 . . 0 "[ . 1 . 2]"
102 . 1 94 GLU N 1 94 GLU CA 1 94 GLU C 1 95 VAL N 89.00 149.00 128.21 102.60 141.96 . . 0 "[ . 1 . 2]"
103 . 1 94 GLU C 1 95 VAL N 1 95 VAL CA 1 95 VAL C -139.60 -79.60 -110.43 -118.17 -119.76 . . 0 "[ . 1 . 2]"
104 . 1 95 VAL N 1 95 VAL CA 1 95 VAL C 1 96 LEU N 107.00 167.00 132.74 123.75 144.19 . . 0 "[ . 1 . 2]"
105 . 1 95 VAL C 1 96 LEU N 1 96 LEU CA 1 96 LEU C -164.00 -104.00 -121.76 -130.47 -109.87 . . 0 "[ . 1 . 2]"
106 . 1 96 LEU N 1 96 LEU CA 1 96 LEU C 1 97 LEU N 123.50 -176.50 142.38 142.46 139.89 . . 0 "[ . 1 . 2]"
107 . 1 96 LEU C 1 97 LEU N 1 97 LEU CA 1 97 LEU C -125.00 -65.00 -113.43 -126.68 -103.76 1.68 18 0 "[ . 1 . 2]"
108 . 1 97 LEU N 1 97 LEU CA 1 97 LEU C 1 98 ASP N 91.00 151.00 114.70 124.97 121.92 . . 0 "[ . 1 . 2]"
109 . 1 97 LEU C 1 98 ASP N 1 98 ASP CA 1 98 ASP C -112.00 -52.00 -77.96 -61.01 -67.65 . . 0 "[ . 1 . 2]"
110 . 1 98 ASP N 1 98 ASP CA 1 98 ASP C 1 99 SER N 119.00 179.00 118.23 128.19 117.69 5.58 9 2 "[ . +1 - 2]"
111 . 1 102 ASP C 1 103 PHE N 1 103 PHE CA 1 103 PHE C -96.00 -36.00 -62.75 -62.67 -62.91 . . 0 "[ . 1 . 2]"
112 . 1 103 PHE N 1 103 PHE CA 1 103 PHE C 1 104 LYS N -59.00 1.00 -43.31 -49.14 -35.42 . . 0 "[ . 1 . 2]"
113 . 1 103 PHE C 1 104 LYS N 1 104 LYS CA 1 104 LYS C -95.00 -35.00 -60.15 -64.45 -52.16 . . 0 "[ . 1 . 2]"
114 . 1 104 LYS N 1 104 LYS CA 1 104 LYS C 1 105 ARG N -71.00 -11.00 -39.61 -35.01 -36.06 . . 0 "[ . 1 . 2]"
115 . 1 104 LYS C 1 105 ARG N 1 105 ARG CA 1 105 ARG C -92.00 -32.00 -69.44 -71.10 -71.89 . . 0 "[ . 1 . 2]"
116 . 1 105 ARG N 1 105 ARG CA 1 105 ARG C 1 106 ALA N -69.00 -9.00 -40.49 -43.54 -34.80 . . 0 "[ . 1 . 2]"
117 . 1 105 ARG C 1 106 ALA N 1 106 ALA CA 1 106 ALA C -97.00 -37.00 -61.63 -61.93 -62.13 . . 0 "[ . 1 . 2]"
118 . 1 106 ALA N 1 106 ALA CA 1 106 ALA C 1 107 MET N -55.00 5.00 -38.84 -48.55 -32.59 . . 0 "[ . 1 . 2]"
119 . 1 106 ALA C 1 107 MET N 1 107 MET CA 1 107 MET C -126.00 -66.00 -85.58 -88.90 -90.48 . . 0 "[ . 1 . 2]"
120 . 1 107 MET N 1 107 MET CA 1 107 MET C 1 108 ASN N -23.00 37.00 -12.19 -25.33 -3.30 2.33 10 0 "[ . 1 . 2]"
121 . 1 113 PRO C 1 114 ALA N 1 114 ALA CA 1 114 ALA C -149.00 -89.00 -116.79 -133.75 -105.57 . . 0 "[ . 1 . 2]"
122 . 1 114 ALA N 1 114 ALA CA 1 114 ALA C 1 115 VAL N 111.00 171.00 135.01 141.94 138.66 . . 0 "[ . 1 . 2]"
123 . 1 114 ALA C 1 115 VAL N 1 115 VAL CA 1 115 VAL C -160.00 -100.00 -116.80 -126.97 -101.34 . . 0 "[ . 1 . 2]"
124 . 1 115 VAL N 1 115 VAL CA 1 115 VAL C 1 116 PHE N 108.50 168.50 128.17 129.04 127.90 . . 0 "[ . 1 . 2]"
125 . 1 115 VAL C 1 116 PHE N 1 116 PHE CA 1 116 PHE C -158.40 -98.40 -126.82 -131.71 -120.77 . . 0 "[ . 1 . 2]"
126 . 1 116 PHE N 1 116 PHE CA 1 116 PHE C 1 117 ILE N 113.50 173.50 116.54 124.15 118.45 0.87 13 0 "[ . 1 . 2]"
127 . 1 116 PHE C 1 117 ILE N 1 117 ILE CA 1 117 ILE C -152.30 -92.30 -104.12 -114.20 -99.82 . . 0 "[ . 1 . 2]"
128 . 1 117 ILE N 1 117 ILE CA 1 117 ILE C 1 118 VAL N 95.40 155.40 129.90 123.17 132.74 . . 0 "[ . 1 . 2]"
129 . 1 117 ILE C 1 118 VAL N 1 118 VAL CA 1 118 VAL C -150.20 -90.20 -108.72 -108.92 -108.95 . . 0 "[ . 1 . 2]"
130 . 1 118 VAL N 1 118 VAL CA 1 118 VAL C 1 119 ASP N 111.60 171.60 131.17 132.88 131.52 . . 0 "[ . 1 . 2]"
131 . 1 118 VAL C 1 119 ASP N 1 119 ASP CA 1 119 ASP C -125.10 -65.10 -80.35 -95.04 -70.05 . . 0 "[ . 1 . 2]"
132 . 1 119 ASP N 1 119 ASP CA 1 119 ASP C 1 120 GLY N 134.20 -165.80 175.38 -179.54 166.60 . . 0 "[ . 1 . 2]"
133 . 1 123 LYS C 1 124 ILE N 1 124 ILE CA 1 124 ILE C -109.90 -49.90 -75.76 -90.24 -65.07 . . 0 "[ . 1 . 2]"
134 . 1 124 ILE N 1 124 ILE CA 1 124 ILE C 1 125 VAL N 100.40 160.40 114.71 99.51 127.95 0.89 10 0 "[ . 1 . 2]"
135 . 1 124 ILE C 1 125 VAL N 1 125 VAL CA 1 125 VAL C -137.30 -77.30 -100.76 -99.12 -104.01 . . 0 "[ . 1 . 2]"
136 . 1 125 VAL N 1 125 VAL CA 1 125 VAL C 1 126 TYR N -44.50 15.50 -29.06 -40.22 -17.34 . . 0 "[ . 1 . 2]"
137 . 1 125 VAL C 1 126 TYR N 1 126 TYR CA 1 126 TYR C 177.60 -122.40 -137.41 -134.26 -137.45 0.54 17 0 "[ . 1 . 2]"
138 . 1 126 TYR N 1 126 TYR CA 1 126 TYR C 1 127 ASN N 109.40 169.40 130.93 122.49 140.39 . . 0 "[ . 1 . 2]"
139 . 1 126 TYR C 1 127 ASN N 1 127 ASN CA 1 127 ASN C -150.00 -90.00 -133.07 -132.36 -134.51 . . 0 "[ . 1 . 2]"
140 . 1 127 ASN N 1 127 ASN CA 1 127 ASN C 1 128 HIS N 106.30 166.30 124.43 109.31 135.21 . . 0 "[ . 1 . 2]"
141 . 1 127 ASN C 1 128 HIS N 1 128 HIS CA 1 128 HIS C -164.60 -104.60 -141.47 -158.36 -120.53 . . 0 "[ . 1 . 2]"
142 . 1 128 HIS N 1 128 HIS CA 1 128 HIS C 1 129 THR N 103.20 163.20 107.34 101.37 122.85 1.83 9 0 "[ . 1 . 2]"
143 . 1 128 HIS C 1 129 THR N 1 129 THR CA 1 129 THR C -145.80 -85.80 -100.13 -103.20 -103.79 . . 0 "[ . 1 . 2]"
144 . 1 129 THR N 1 129 THR CA 1 129 THR C 1 130 GLY N 102.50 162.50 113.88 102.65 135.14 . . 0 "[ . 1 . 2]"
145 . 1 134 GLY C 1 135 GLY N 1 135 GLY CA 1 135 GLY C -92.00 -32.00 -85.73 -92.91 -67.77 0.91 13 0 "[ . 1 . 2]"
146 . 1 135 GLY N 1 135 GLY CA 1 135 GLY C 1 136 GLU N -67.00 -7.00 -26.62 -18.97 -20.96 . . 0 "[ . 1 . 2]"
147 . 1 135 GLY C 1 136 GLU N 1 136 GLU CA 1 136 GLU C -92.00 -32.00 -58.65 -61.40 -52.89 . . 0 "[ . 1 . 2]"
148 . 1 136 GLU N 1 136 GLU CA 1 136 GLU C 1 137 ALA N -71.00 -11.00 -24.55 -26.99 -29.72 . . 0 "[ . 1 . 2]"
149 . 1 136 GLU C 1 137 ALA N 1 137 ALA CA 1 137 ALA C -92.20 -32.20 -63.10 -63.58 -63.75 . . 0 "[ . 1 . 2]"
150 . 1 137 ALA N 1 137 ALA CA 1 137 ALA C 1 138 GLU N -69.00 -9.00 -40.88 -45.19 -38.26 . . 0 "[ . 1 . 2]"
151 . 1 137 ALA C 1 138 GLU N 1 138 GLU CA 1 138 GLU C -98.30 -38.30 -71.15 -70.70 -71.34 . . 0 "[ . 1 . 2]"
152 . 1 138 GLU N 1 138 GLU CA 1 138 GLU C 1 139 LEU N -64.10 -4.10 -33.59 -38.54 -26.82 . . 0 "[ . 1 . 2]"
153 . 1 138 GLU C 1 139 LEU N 1 139 LEU CA 1 139 LEU C -100.00 -40.00 -61.96 -63.33 -60.13 . . 0 "[ . 1 . 2]"
154 . 1 139 LEU N 1 139 LEU CA 1 139 LEU C 1 140 ILE N -58.50 1.50 -50.00 -48.43 -48.81 . . 0 "[ . 1 . 2]"
155 . 1 139 LEU C 1 140 ILE N 1 140 ILE CA 1 140 ILE C -120.20 -60.20 -67.26 -68.90 -69.24 . . 0 "[ . 1 . 2]"
156 . 1 140 ILE N 1 140 ILE CA 1 140 ILE C 1 141 LYS N -39.90 20.10 -37.10 -41.45 -32.00 1.55 13 0 "[ . 1 . 2]"
157 . 1 140 ILE C 1 141 LYS N 1 141 LYS CA 1 141 LYS C -91.80 -31.80 -60.01 -61.37 -62.68 . . 0 "[ . 1 . 2]"
158 . 1 141 LYS N 1 141 LYS CA 1 141 LYS C 1 142 LYS N -63.30 -3.30 -47.93 -46.54 -47.34 . . 0 "[ . 1 . 2]"
159 . 1 141 LYS C 1 142 LYS N 1 142 LYS CA 1 142 LYS C -96.80 -36.80 -67.32 -66.21 -66.34 . . 0 "[ . 1 . 2]"
160 . 1 142 LYS N 1 142 LYS CA 1 142 LYS C 1 143 VAL N -67.40 -7.40 -32.99 -40.39 -22.19 . . 0 "[ . 1 . 2]"
161 . 1 142 LYS C 1 143 VAL N 1 143 VAL CA 1 143 VAL C -94.20 -34.20 -59.94 -64.75 -58.15 . . 0 "[ . 1 . 2]"
162 . 1 143 VAL N 1 143 VAL CA 1 143 VAL C 1 144 ARG N -74.00 -14.00 -44.67 -42.70 -43.12 . . 0 "[ . 1 . 2]"
163 . 1 143 VAL C 1 144 ARG N 1 144 ARG CA 1 144 ARG C -88.30 -28.30 -70.98 -64.38 -64.62 . . 0 "[ . 1 . 2]"
164 . 1 144 ARG N 1 144 ARG CA 1 144 ARG C 1 145 GLU N -70.30 -10.30 -30.29 -34.86 -35.75 . . 0 "[ . 1 . 2]"
165 . 1 144 ARG C 1 145 GLU N 1 145 GLU CA 1 145 GLU C -93.70 -33.70 -61.96 -69.93 -55.75 . . 0 "[ . 1 . 2]"
166 . 1 145 GLU N 1 145 GLU CA 1 145 GLU C 1 146 LEU N -71.80 -11.80 -35.11 -37.51 -38.50 . . 0 "[ . 1 . 2]"
167 . 1 145 GLU C 1 146 LEU N 1 146 LEU CA 1 146 LEU C -98.50 -38.50 -63.21 -64.51 -64.81 . . 0 "[ . 1 . 2]"
168 . 1 146 LEU N 1 146 LEU CA 1 146 LEU C 1 147 VAL N -70.00 -10.00 -39.99 -38.98 -39.94 . . 0 "[ . 1 . 2]"
169 . 1 146 LEU C 1 147 VAL N 1 147 VAL CA 1 147 VAL C -96.40 -36.40 -67.51 -98.55 -60.62 2.15 20 0 "[ . 1 . 2]"
170 . 1 147 VAL N 1 147 VAL CA 1 147 VAL C 1 148 LYS N -59.20 0.80 -36.93 -31.68 -39.76 2.88 20 0 "[ . 1 . 2]"
171 . 1 147 VAL C 1 148 LYS N 1 148 LYS CA 1 148 LYS C -97.10 -37.10 -65.94 -62.32 -63.76 . . 0 "[ . 1 . 2]"
172 . 1 148 LYS N 1 148 LYS CA 1 148 LYS C 1 149 GLU N -64.60 -4.60 -32.85 -48.25 -4.10 0.50 14 0 "[ . 1 . 2]"
173 . 1 148 LYS C 1 149 GLU N 1 149 GLU CA 1 149 GLU C -120.00 -60.00 -75.42 -113.86 -58.47 1.53 14 0 "[ . 1 . 2]"
174 . 1 149 GLU N 1 149 GLU CA 1 149 GLU C 1 150 GLY N -38.00 22.00 -26.44 -16.17 -22.52 1.47 16 0 "[ . 1 . 2]"
175 . 1 38 PHE CA 1 38 PHE CB 1 38 PHE CG 1 38 PHE CD1 80.00 100.00 83.20 83.75 82.78 0.40 4 0 "[ . 1 . 2]"
176 . 1 39 PHE CA 1 39 PHE CB 1 39 PHE CG 1 39 PHE CD1 80.00 100.00 101.85 100.42 104.37 4.37 18 0 "[ . 1 . 2]"
177 . 1 103 PHE CA 1 103 PHE CB 1 103 PHE CG 1 103 PHE CD1 80.00 100.00 77.15 76.00 79.16 4.00 18 0 "[ . 1 . 2]"
178 . 1 116 PHE CA 1 116 PHE CB 1 116 PHE CG 1 116 PHE CD1 80.00 100.00 83.44 82.58 79.75 1.19 1 0 "[ . 1 . 2]"
179 . 1 6 TYR CA 1 6 TYR CB 1 6 TYR CG 1 6 TYR CD1 80.00 100.00 91.24 97.03 95.95 . . 0 "[ . 1 . 2]"
180 . 1 57 TYR CA 1 57 TYR CB 1 57 TYR CG 1 57 TYR CD1 80.00 100.00 76.52 74.79 78.52 5.21 13 1 "[ . 1 + . 2]"
181 . 1 93 TYR CA 1 93 TYR CB 1 93 TYR CG 1 93 TYR CD1 80.00 100.00 96.03 84.07 82.84 4.44 11 0 "[ . 1 . 2]"
182 . 1 126 TYR CA 1 126 TYR CB 1 126 TYR CG 1 126 TYR CD1 80.00 100.00 83.48 80.53 80.11 0.68 14 0 "[ . 1 . 2]"
183 . 1 131 TYR CA 1 131 TYR CB 1 131 TYR CG 1 131 TYR CD1 80.00 100.00 79.18 75.36 84.30 4.64 3 0 "[ . 1 . 2]"
184 . 1 12 VAL N 1 12 VAL CA 1 12 VAL CB 1 12 VAL CG1 170.00 -170.00 -178.66 -173.03 -174.86 . . 0 "[ . 1 . 2]"
185 . 1 82 VAL N 1 82 VAL CA 1 82 VAL CB 1 82 VAL CG1 170.00 -170.00 -174.54 178.22 -168.14 1.86 13 0 "[ . 1 . 2]"
186 . 1 95 VAL N 1 95 VAL CA 1 95 VAL CB 1 95 VAL CG1 170.00 -170.00 -173.45 -179.61 -168.54 1.46 7 0 "[ . 1 . 2]"
187 . 1 115 VAL N 1 115 VAL CA 1 115 VAL CB 1 115 VAL CG1 170.00 -170.00 -175.46 173.69 -169.01 0.99 13 0 "[ . 1 . 2]"
188 . 1 118 VAL N 1 118 VAL CA 1 118 VAL CB 1 118 VAL CG1 170.00 -170.00 171.24 168.98 179.24 1.02 16 0 "[ . 1 . 2]"
189 . 1 143 VAL N 1 143 VAL CA 1 143 VAL CB 1 143 VAL CG1 170.00 -170.00 171.83 168.28 178.22 1.72 10 0 "[ . 1 . 2]"
190 . 1 147 VAL N 1 147 VAL CA 1 147 VAL CB 1 147 VAL CG1 170.00 -170.00 -177.63 179.28 178.50 . . 0 "[ . 1 . 2]"
191 . 1 125 VAL N 1 125 VAL CA 1 125 VAL CB 1 125 VAL CG1 50.00 70.00 64.04 58.14 69.72 . . 0 "[ . 1 . 2]"
192 . 1 50 LEU N 1 50 LEU CA 1 50 LEU CB 1 50 LEU CG 170.00 -170.00 -173.01 -177.91 -169.99 0.01 20 0 "[ . 1 . 2]"
193 . 1 50 LEU CA 1 50 LEU CB 1 50 LEU CG 1 50 LEU CD1 50.00 70.00 61.26 55.86 67.49 . . 0 "[ . 1 . 2]"
194 . 1 68 LEU N 1 68 LEU CA 1 68 LEU CB 1 68 LEU CG -70.00 -50.00 -59.82 -60.08 -60.31 1.69 18 0 "[ . 1 . 2]"
195 . 1 68 LEU CA 1 68 LEU CB 1 68 LEU CG 1 68 LEU CD1 170.00 -170.00 -175.72 -171.72 -173.09 0.56 18 0 "[ . 1 . 2]"
196 . 1 85 LEU N 1 85 LEU CA 1 85 LEU CB 1 85 LEU CG -70.00 -50.00 -64.63 -63.87 -64.05 . . 0 "[ . 1 . 2]"
197 . 1 85 LEU CA 1 85 LEU CB 1 85 LEU CG 1 85 LEU CD1 170.00 -170.00 175.21 173.07 178.93 . . 0 "[ . 1 . 2]"
198 . 1 146 LEU N 1 146 LEU CA 1 146 LEU CB 1 146 LEU CG -70.00 -50.00 -57.72 -66.08 -51.45 . . 0 "[ . 1 . 2]"
199 . 1 146 LEU CA 1 146 LEU CB 1 146 LEU CG 1 146 LEU CD1 170.00 -170.00 180.00 179.26 178.67 . . 0 "[ . 1 . 2]"
200 . 1 17 ILE CA 1 17 ILE CB 1 17 ILE CG1 1 17 ILE CD1 160.00 180.00 175.14 174.50 174.27 . . 0 "[ . 1 . 2]"
201 . 1 35 ILE CA 1 35 ILE CB 1 35 ILE CG1 1 35 ILE CD1 160.00 180.00 170.80 169.88 169.37 0.56 18 0 "[ . 1 . 2]"
202 . 1 36 ILE CA 1 36 ILE CB 1 36 ILE CG1 1 36 ILE CD1 160.00 180.00 173.83 173.18 173.13 . . 0 "[ . 1 . 2]"
203 . 1 53 ILE CA 1 53 ILE CB 1 53 ILE CG1 1 53 ILE CD1 160.00 180.00 174.42 172.14 170.94 . . 0 "[ . 1 . 2]"
204 . 1 69 ILE CA 1 69 ILE CB 1 69 ILE CG1 1 69 ILE CD1 160.00 180.00 172.07 172.17 171.91 . . 0 "[ . 1 . 2]"
205 . 1 73 ILE CA 1 73 ILE CB 1 73 ILE CG1 1 73 ILE CD1 160.00 180.00 173.82 174.45 173.99 . . 0 "[ . 1 . 2]"
206 . 1 112 ILE CA 1 112 ILE CB 1 112 ILE CG1 1 112 ILE CD1 160.00 180.00 175.90 173.56 172.10 . . 0 "[ . 1 . 2]"
207 . 1 117 ILE CA 1 117 ILE CB 1 117 ILE CG1 1 117 ILE CD1 160.00 180.00 176.80 173.90 179.25 . . 0 "[ . 1 . 2]"
208 . 1 124 ILE CA 1 124 ILE CB 1 124 ILE CG1 1 124 ILE CD1 160.00 180.00 165.85 167.41 166.20 1.15 18 0 "[ . 1 . 2]"
stop_
save_