NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
603732 |
5k5f   |
30098 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_5k5f
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 192
_TA_constraint_stats_list.Viol_count 497
_TA_constraint_stats_list.Viol_total 23367.79
_TA_constraint_stats_list.Viol_max 13.10
_TA_constraint_stats_list.Viol_rms 1.11
_TA_constraint_stats_list.Viol_average_all_restraints 0.30
_TA_constraint_stats_list.Viol_average_violations_only 2.35
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * ID of the restraint list.
* 3 * Number of restraints in list.
* 4 * Number of violated restraints (each model violation is used).
* 5 * Sum of violations in degrees.
* 6 * Maximum violation of a restraint without averaging in any way.
* 7 * Rms of violations over all restraints.
* 8 * Average violation over all restraints.
* 9 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
Threshold for reporting violations (degrees) in the last columns of the next table.
* 10 * This tag.
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
* 2 * Torsion angle name where available.
* 3 * First atom's:
* 4 * Chain identifier (can be absent if none defined)
* 5 * Residue number
* 6 * Residue name
* 7 * Name of (pseudo-)atom
* 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18.
* 19 * Lower bound (degrees)
* 20 * Upper bound (degrees)
* 21 * Average angle in ensemble of models
* 22 * Minimum angle in ensemble of models (counter clockwise from range)
* 23 * Maximum angle in ensemble of models (clockwise from range)
* 24 * Maximum violation (without any averaging)
* 25 * Model number with the maximum violation
* 26 * Number of models with a violation above cutoff
* 27 * List of models with a violation above cutoff. See description above.
* 28 * Administrative tag
* 29 * Administrative tag
;
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 . 1 1 GLY C 1 2 SER N 1 2 SER CA 1 2 SER C -84.00 -44.00 -71.81 -70.44 -75.22 1.99 20 0 "[ . 1 . 2]"
2 . 1 2 SER N 1 2 SER CA 1 2 SER C 1 3 ASP N -94.00 34.00 -17.97 -47.96 36.33 2.33 3 0 "[ . 1 . 2]"
3 . 1 2 SER C 1 3 ASP N 1 3 ASP CA 1 3 ASP C -86.00 -46.00 -67.22 -86.68 -55.07 0.68 2 0 "[ . 1 . 2]"
4 . 1 3 ASP N 1 3 ASP CA 1 3 ASP C 1 4 GLU N -55.00 -15.00 -28.78 -49.60 -14.23 0.77 16 0 "[ . 1 . 2]"
5 . 1 3 ASP C 1 4 GLU N 1 4 GLU CA 1 4 GLU C -85.00 -45.00 -65.27 -62.58 -65.68 . . 0 "[ . 1 . 2]"
6 . 1 4 GLU N 1 4 GLU CA 1 4 GLU C 1 5 GLU N -61.00 -13.00 -39.22 -39.51 -40.78 0.04 15 0 "[ . 1 . 2]"
7 . 1 4 GLU C 1 5 GLU N 1 5 GLU CA 1 5 GLU C -98.00 -42.00 -72.94 -73.31 -74.62 . . 0 "[ . 1 . 2]"
8 . 1 5 GLU N 1 5 GLU CA 1 5 GLU C 1 6 VAL N -61.00 -13.00 -27.74 -37.72 -15.29 . . 0 "[ . 1 . 2]"
9 . 1 5 GLU C 1 6 VAL N 1 6 VAL CA 1 6 VAL C -86.00 -46.00 -73.54 -85.55 -62.30 . . 0 "[ . 1 . 2]"
10 . 1 6 VAL N 1 6 VAL CA 1 6 VAL C 1 7 ASP N -61.00 -21.00 -32.46 -35.30 -37.06 . . 0 "[ . 1 . 2]"
11 . 1 6 VAL C 1 7 ASP N 1 7 ASP CA 1 7 ASP C -143.00 -63.00 -77.11 -74.50 -76.04 . . 0 "[ . 1 . 2]"
12 . 1 7 ASP N 1 7 ASP CA 1 7 ASP C 1 8 SER N -46.00 26.00 -24.28 -47.19 -9.46 1.19 10 0 "[ . 1 . 2]"
13 . 1 8 SER C 1 9 VAL N 1 9 VAL CA 1 9 VAL C -154.00 -82.00 -124.15 -141.14 -107.19 . . 0 "[ . 1 . 2]"
14 . 1 9 VAL N 1 9 VAL CA 1 9 VAL C 1 10 LEU N 117.00 -179.00 162.82 158.24 156.64 . . 0 "[ . 1 . 2]"
15 . 1 9 VAL C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -104.00 -48.00 -83.66 -89.26 -79.79 . . 0 "[ . 1 . 2]"
16 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 PHE N 95.00 135.00 114.09 102.60 126.64 . . 0 "[ . 1 . 2]"
17 . 1 10 LEU C 1 11 PHE N 1 11 PHE CA 1 11 PHE C -115.00 -75.00 -78.78 -89.39 -73.17 1.83 16 0 "[ . 1 . 2]"
18 . 1 11 PHE N 1 11 PHE CA 1 11 PHE C 1 12 GLY N -79.00 49.00 -33.15 -25.86 -28.86 . . 0 "[ . 1 . 2]"
19 . 1 12 GLY C 1 13 SER N 1 13 SER CA 1 13 SER C -169.00 -113.00 -118.67 -133.80 -110.67 2.33 17 0 "[ . 1 . 2]"
20 . 1 13 SER N 1 13 SER CA 1 13 SER C 1 14 LEU N 122.00 178.00 155.18 118.39 -179.82 3.61 9 0 "[ . 1 . 2]"
21 . 1 17 HIS C 1 18 VAL N 1 18 VAL CA 1 18 VAL C -156.00 -76.00 -92.59 -119.24 -75.58 0.42 8 0 "[ . 1 . 2]"
22 . 1 18 VAL N 1 18 VAL CA 1 18 VAL C 1 19 VAL N 102.00 170.00 141.31 127.77 159.56 . . 0 "[ . 1 . 2]"
23 . 1 18 VAL C 1 19 VAL N 1 19 VAL CA 1 19 VAL C -162.00 -50.00 -70.04 -96.58 -56.93 . . 0 "[ . 1 . 2]"
24 . 1 19 VAL N 1 19 VAL CA 1 19 VAL C 1 20 GLY N 145.00 -175.00 148.02 139.49 137.37 7.63 1 2 "[+ . -1 . 2]"
25 . 1 19 VAL C 1 20 GLY N 1 20 GLY CA 1 20 GLY C -79.00 -39.00 -74.42 -74.79 -78.32 2.59 3 0 "[ . 1 . 2]"
26 . 1 20 GLY N 1 20 GLY CA 1 20 GLY C 1 21 LEU N -61.00 -21.00 -26.79 -24.82 -26.31 3.26 11 0 "[ . 1 . 2]"
27 . 1 20 GLY C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -83.00 -43.00 -60.19 -66.85 -51.29 . . 0 "[ . 1 . 2]"
28 . 1 21 LEU N 1 21 LEU CA 1 21 LEU C 1 22 ARG N -59.00 -19.00 -18.87 -18.42 -18.69 3.93 17 0 "[ . 1 . 2]"
29 . 1 21 LEU C 1 22 ARG N 1 22 ARG CA 1 22 ARG C -88.00 -48.00 -65.74 -76.66 -76.94 0.81 13 0 "[ . 1 . 2]"
30 . 1 22 ARG N 1 22 ARG CA 1 22 ARG C 1 23 TYR N -68.00 -4.00 -10.00 1.40 0.84 5.77 2 2 "[ + . 1 .- 2]"
31 . 1 22 ARG C 1 23 TYR N 1 23 TYR CA 1 23 TYR C -107.00 -43.00 -55.11 -48.69 -49.91 0.44 14 0 "[ . 1 . 2]"
32 . 1 23 TYR N 1 23 TYR CA 1 23 TYR C 1 24 TYR N -71.00 21.00 -36.63 -49.60 -16.78 . . 0 "[ . 1 . 2]"
33 . 1 23 TYR C 1 24 TYR N 1 24 TYR CA 1 24 TYR C -110.00 -46.00 -69.03 -62.44 -62.96 . . 0 "[ . 1 . 2]"
34 . 1 24 TYR N 1 24 TYR CA 1 24 TYR C 1 25 THR N -59.00 -3.00 -26.07 -40.91 -6.47 . . 0 "[ . 1 . 2]"
35 . 1 24 TYR C 1 25 THR N 1 25 THR CA 1 25 THR C -124.00 -76.00 -79.64 -78.51 -78.68 2.98 18 0 "[ . 1 . 2]"
36 . 1 25 THR N 1 25 THR CA 1 25 THR C 1 26 GLY N -51.00 45.00 -12.94 -33.48 15.50 . . 0 "[ . 1 . 2]"
37 . 1 25 THR C 1 26 GLY N 1 26 GLY CA 1 26 GLY C 50.00 114.00 110.64 91.69 117.54 3.54 6 0 "[ . 1 . 2]"
38 . 1 26 GLY N 1 26 GLY CA 1 26 GLY C 1 27 VAL N -23.00 45.00 50.68 49.67 49.14 10.84 8 11 "[ **-+ 1****. * **]"
39 . 1 26 GLY C 1 27 VAL N 1 27 VAL CA 1 27 VAL C -158.00 -34.00 -54.16 -57.28 -59.79 . . 0 "[ . 1 . 2]"
40 . 1 27 VAL N 1 27 VAL CA 1 27 VAL C 1 28 VAL N 129.00 169.00 164.56 164.16 162.60 3.96 3 0 "[ . 1 . 2]"
41 . 1 27 VAL C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -157.00 -117.00 -114.26 -114.71 -115.08 8.46 16 2 "[ . 1 .+ - 2]"
42 . 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 ASN N 111.00 -173.00 166.20 149.32 -179.64 . . 0 "[ . 1 . 2]"
43 . 1 33 MET C 1 34 VAL N 1 34 VAL CA 1 34 VAL C -177.00 -105.00 -127.67 -143.74 -113.86 . . 0 "[ . 1 . 2]"
44 . 1 34 VAL N 1 34 VAL CA 1 34 VAL C 1 35 ALA N 118.00 -166.00 153.17 160.79 152.52 . . 0 "[ . 1 . 2]"
45 . 1 34 VAL C 1 35 ALA N 1 35 ALA CA 1 35 ALA C -167.00 -83.00 -120.05 -160.92 -93.66 . . 0 "[ . 1 . 2]"
46 . 1 35 ALA N 1 35 ALA CA 1 35 ALA C 1 36 LEU N 103.00 171.00 141.15 123.68 166.45 . . 0 "[ . 1 . 2]"
47 . 1 35 ALA C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -150.00 -58.00 -93.84 -90.68 -97.12 . . 0 "[ . 1 . 2]"
48 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 GLN N 96.00 160.00 139.04 146.06 141.56 1.58 13 0 "[ . 1 . 2]"
49 . 1 36 LEU C 1 37 GLN N 1 37 GLN CA 1 37 GLN C -162.00 -102.00 -147.54 -159.89 -123.78 . . 0 "[ . 1 . 2]"
50 . 1 37 GLN N 1 37 GLN CA 1 37 GLN C 1 38 ARG N 111.00 155.00 130.19 126.75 121.59 0.22 15 0 "[ . 1 . 2]"
51 . 1 37 GLN C 1 38 ARG N 1 38 ARG CA 1 38 ARG C -110.00 -42.00 -68.71 -80.76 -87.54 . . 0 "[ . 1 . 2]"
52 . 1 38 ARG N 1 38 ARG CA 1 38 ARG C 1 39 ASP N 118.00 162.00 137.18 119.21 158.33 . . 0 "[ . 1 . 2]"
53 . 1 38 ARG C 1 39 ASP N 1 39 ASP CA 1 39 ASP C -173.00 -33.00 -85.90 -80.46 -84.63 . . 0 "[ . 1 . 2]"
54 . 1 39 ASP N 1 39 ASP CA 1 39 ASP C 1 40 PRO N 83.00 179.00 118.69 93.03 149.61 . . 0 "[ . 1 . 2]"
55 . 1 40 PRO N 1 40 PRO CA 1 40 PRO C 1 41 ASN N -41.00 3.00 -25.84 -32.63 -37.55 2.11 1 0 "[ . 1 . 2]"
56 . 1 41 ASN C 1 42 ASN N 1 42 ASN CA 1 42 ASN C -107.00 -47.00 -69.10 -74.85 -86.28 1.32 14 0 "[ . 1 . 2]"
57 . 1 42 ASN N 1 42 ASN CA 1 42 ASN C 1 43 PRO N 99.00 175.00 129.04 108.16 151.74 . . 0 "[ . 1 . 2]"
58 . 1 43 PRO N 1 43 PRO CA 1 43 PRO C 1 44 TYR N -51.00 -11.00 -32.39 -28.27 -29.43 3.41 4 0 "[ . 1 . 2]"
59 . 1 43 PRO C 1 44 TYR N 1 44 TYR CA 1 44 TYR C -125.00 -49.00 -104.59 -128.61 -71.51 3.61 4 0 "[ . 1 . 2]"
60 . 1 44 TYR N 1 44 TYR CA 1 44 TYR C 1 45 ASP N -49.00 35.00 -51.07 -56.08 -44.04 7.08 9 1 "[ . +1 . 2]"
61 . 1 45 ASP C 1 46 LYS N 1 46 LYS CA 1 46 LYS C -80.00 -40.00 -62.65 -59.41 -61.23 . . 0 "[ . 1 . 2]"
62 . 1 46 LYS N 1 46 LYS CA 1 46 LYS C 1 47 ASN N -52.00 4.00 -17.47 -33.48 -4.96 . . 0 "[ . 1 . 2]"
63 . 1 46 LYS C 1 47 ASN N 1 47 ASN CA 1 47 ASN C -128.00 -32.00 -77.02 -84.86 -87.78 . . 0 "[ . 1 . 2]"
64 . 1 47 ASN N 1 47 ASN CA 1 47 ASN C 1 48 ALA N -68.00 32.00 -6.51 18.86 9.69 . . 0 "[ . 1 . 2]"
65 . 1 47 ASN C 1 48 ALA N 1 48 ALA CA 1 48 ALA C -113.00 -37.00 -70.63 -98.04 -52.92 . . 0 "[ . 1 . 2]"
66 . 1 48 ALA N 1 48 ALA CA 1 48 ALA C 1 49 ILE N 111.00 159.00 121.05 103.85 158.50 7.15 8 1 "[ . + 1 . 2]"
67 . 1 48 ALA C 1 49 ILE N 1 49 ILE CA 1 49 ILE C -148.00 -72.00 -104.05 -133.75 -72.38 . . 0 "[ . 1 . 2]"
68 . 1 49 ILE N 1 49 ILE CA 1 49 ILE C 1 50 LYS N 105.00 161.00 122.65 121.60 120.80 0.67 15 0 "[ . 1 . 2]"
69 . 1 49 ILE C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -162.00 -46.00 -84.76 -122.29 -61.94 . . 0 "[ . 1 . 2]"
70 . 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 VAL N 96.00 172.00 136.45 140.04 134.08 . . 0 "[ . 1 . 2]"
71 . 1 50 LYS C 1 51 VAL N 1 51 VAL CA 1 51 VAL C -143.00 -67.00 -97.24 -123.30 -77.18 . . 0 "[ . 1 . 2]"
72 . 1 51 VAL N 1 51 VAL CA 1 51 VAL C 1 52 ASN N 94.00 162.00 126.51 109.95 143.87 . . 0 "[ . 1 . 2]"
73 . 1 51 VAL C 1 52 ASN N 1 52 ASN CA 1 52 ASN C -167.00 -67.00 -114.28 -112.62 -114.95 . . 0 "[ . 1 . 2]"
74 . 1 52 ASN N 1 52 ASN CA 1 52 ASN C 1 53 ASN N 116.00 172.00 156.39 127.45 175.73 3.73 20 0 "[ . 1 . 2]"
75 . 1 52 ASN C 1 53 ASN N 1 53 ASN CA 1 53 ASN C -107.00 -67.00 -92.64 -82.72 -90.10 3.54 20 0 "[ . 1 . 2]"
76 . 1 53 ASN N 1 53 ASN CA 1 53 ASN C 1 54 VAL N 149.00 -155.00 -171.59 -168.92 -169.69 . . 0 "[ . 1 . 2]"
77 . 1 53 ASN C 1 54 VAL N 1 54 VAL CA 1 54 VAL C -92.00 -36.00 -60.33 -53.34 -55.78 . . 0 "[ . 1 . 2]"
78 . 1 54 VAL N 1 54 VAL CA 1 54 VAL C 1 55 ASN N -61.00 7.00 -28.32 -34.07 -10.47 . . 0 "[ . 1 . 2]"
79 . 1 54 VAL C 1 55 ASN N 1 55 ASN CA 1 55 ASN C -114.00 -74.00 -78.67 -88.24 -72.90 1.10 3 0 "[ . 1 . 2]"
80 . 1 55 ASN N 1 55 ASN CA 1 55 ASN C 1 56 GLY N -30.00 18.00 -19.91 -31.83 -3.08 1.83 11 0 "[ . 1 . 2]"
81 . 1 55 ASN C 1 56 GLY N 1 56 GLY CA 1 56 GLY C 60.00 120.00 94.67 97.37 93.26 . . 0 "[ . 1 . 2]"
82 . 1 56 GLY N 1 56 GLY CA 1 56 GLY C 1 57 ASN N -19.00 49.00 6.29 -5.58 40.93 . . 0 "[ . 1 . 2]"
83 . 1 56 GLY C 1 57 ASN N 1 57 ASN CA 1 57 ASN C -125.00 -45.00 -76.83 -69.96 -73.90 . . 0 "[ . 1 . 2]"
84 . 1 57 ASN N 1 57 ASN CA 1 57 ASN C 1 58 GLN N 106.00 150.00 127.86 125.36 122.89 . . 0 "[ . 1 . 2]"
85 . 1 58 GLN C 1 59 VAL N 1 59 VAL CA 1 59 VAL C -129.00 -73.00 -92.41 -126.56 -71.77 1.23 1 0 "[ . 1 . 2]"
86 . 1 59 VAL N 1 59 VAL CA 1 59 VAL C 1 60 GLY N -81.00 15.00 -9.38 -19.52 -23.13 1.01 3 0 "[ . 1 . 2]"
87 . 1 61 HIS C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -130.00 -54.00 -78.00 -96.37 -63.63 . . 0 "[ . 1 . 2]"
88 . 1 62 LEU N 1 62 LEU CA 1 62 LEU C 1 63 LYS N -44.00 28.00 -29.17 -53.13 -53.84 13.10 15 11 "[***** * 1* -*+ * 2]"
89 . 1 63 LYS C 1 64 LYS N 1 64 LYS CA 1 64 LYS C -77.00 -37.00 -65.92 -81.88 -37.42 4.88 15 0 "[ . 1 . 2]"
90 . 1 64 LYS N 1 64 LYS CA 1 64 LYS C 1 65 GLU N -62.00 -22.00 -38.27 -63.77 -19.21 2.79 17 0 "[ . 1 . 2]"
91 . 1 64 LYS C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -82.00 -42.00 -65.20 -82.22 -51.48 0.22 5 0 "[ . 1 . 2]"
92 . 1 65 GLU N 1 65 GLU CA 1 65 GLU C 1 66 LEU N -63.00 -23.00 -52.69 -48.38 -52.03 1.69 7 0 "[ . 1 . 2]"
93 . 1 65 GLU C 1 66 LEU N 1 66 LEU CA 1 66 LEU C -84.00 -44.00 -70.60 -64.40 -65.84 1.60 20 0 "[ . 1 . 2]"
94 . 1 66 LEU N 1 66 LEU CA 1 66 LEU C 1 67 ALA N -60.00 -20.00 -43.67 -57.12 -22.03 . . 0 "[ . 1 . 2]"
95 . 1 66 LEU C 1 67 ALA N 1 67 ALA CA 1 67 ALA C -79.00 -39.00 -62.37 -69.15 -52.80 . . 0 "[ . 1 . 2]"
96 . 1 67 ALA N 1 67 ALA CA 1 67 ALA C 1 68 GLY N -65.00 -25.00 -31.24 -51.60 -21.62 3.38 12 0 "[ . 1 . 2]"
97 . 1 67 ALA C 1 68 GLY N 1 68 GLY CA 1 68 GLY C -86.00 -46.00 -61.04 -71.47 -51.17 . . 0 "[ . 1 . 2]"
98 . 1 68 GLY N 1 68 GLY CA 1 68 GLY C 1 69 ALA N -61.00 3.00 -34.31 -30.33 -31.79 . . 0 "[ . 1 . 2]"
99 . 1 68 GLY C 1 69 ALA N 1 69 ALA CA 1 69 ALA C -83.00 -43.00 -72.19 -73.10 -74.85 1.11 12 0 "[ . 1 . 2]"
100 . 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 LEU N -66.00 -26.00 -53.29 -61.59 -44.50 . . 0 "[ . 1 . 2]"
101 . 1 69 ALA C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -85.00 -45.00 -70.83 -71.79 -73.30 . . 0 "[ . 1 . 2]"
102 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 ALA N -60.00 -20.00 -17.07 -16.83 -17.38 5.97 8 1 "[ . + 1 . 2]"
103 . 1 70 LEU C 1 71 ALA N 1 71 ALA CA 1 71 ALA C -88.00 -48.00 -60.78 -61.32 -65.34 . . 0 "[ . 1 . 2]"
104 . 1 71 ALA N 1 71 ALA CA 1 71 ALA C 1 72 TYR N -59.00 -19.00 -42.91 -57.95 -24.15 . . 0 "[ . 1 . 2]"
105 . 1 71 ALA C 1 72 TYR N 1 72 TYR CA 1 72 TYR C -81.00 -41.00 -70.22 -72.01 -73.76 . . 0 "[ . 1 . 2]"
106 . 1 72 TYR N 1 72 TYR CA 1 72 TYR C 1 73 ILE N -65.00 -25.00 -33.82 -33.83 -35.33 . . 0 "[ . 1 . 2]"
107 . 1 72 TYR C 1 73 ILE N 1 73 ILE CA 1 73 ILE C -80.00 -40.00 -67.14 -69.36 -70.15 . . 0 "[ . 1 . 2]"
108 . 1 73 ILE N 1 73 ILE CA 1 73 ILE C 1 74 MET N -63.00 -23.00 -36.95 -44.55 -29.65 . . 0 "[ . 1 . 2]"
109 . 1 73 ILE C 1 74 MET N 1 74 MET CA 1 74 MET C -79.00 -39.00 -77.75 -81.19 -70.23 2.19 3 0 "[ . 1 . 2]"
110 . 1 74 MET N 1 74 MET CA 1 74 MET C 1 75 ASP N -62.00 -18.00 -40.68 -45.19 -51.17 . . 0 "[ . 1 . 2]"
111 . 1 74 MET C 1 75 ASP N 1 75 ASP CA 1 75 ASP C -83.00 -43.00 -73.51 -83.04 -63.54 0.04 14 0 "[ . 1 . 2]"
112 . 1 75 ASP N 1 75 ASP CA 1 75 ASP C 1 76 ASN N -50.00 -10.00 -45.49 -51.14 -32.51 1.14 20 0 "[ . 1 . 2]"
113 . 1 75 ASP C 1 76 ASN N 1 76 ASN CA 1 76 ASN C -111.00 -71.00 -92.56 -99.67 -85.33 . . 0 "[ . 1 . 2]"
114 . 1 76 ASN N 1 76 ASN CA 1 76 ASN C 1 77 LYS N -17.00 23.00 3.21 -2.57 7.98 . . 0 "[ . 1 . 2]"
115 . 1 76 ASN C 1 77 LYS N 1 77 LYS CA 1 77 LYS C 37.00 77.00 59.44 61.87 61.18 . . 0 "[ . 1 . 2]"
116 . 1 77 LYS N 1 77 LYS CA 1 77 LYS C 1 78 LEU N 15.00 55.00 36.54 31.45 44.65 . . 0 "[ . 1 . 2]"
117 . 1 78 LEU C 1 79 ALA N 1 79 ALA CA 1 79 ALA C 142.00 -78.00 -155.83 -154.73 -155.58 . . 0 "[ . 1 . 2]"
118 . 1 79 ALA N 1 79 ALA CA 1 79 ALA C 1 80 GLN N 111.00 -177.00 143.57 131.53 161.49 . . 0 "[ . 1 . 2]"
119 . 1 79 ALA C 1 80 GLN N 1 80 GLN CA 1 80 GLN C -143.00 -67.00 -79.76 -101.18 -68.21 . . 0 "[ . 1 . 2]"
120 . 1 80 GLN N 1 80 GLN CA 1 80 GLN C 1 81 ILE N 101.00 169.00 117.12 102.91 147.48 . . 0 "[ . 1 . 2]"
121 . 1 80 GLN C 1 81 ILE N 1 81 ILE CA 1 81 ILE C -151.00 -75.00 -102.97 -94.29 -96.56 . . 0 "[ . 1 . 2]"
122 . 1 81 ILE N 1 81 ILE CA 1 81 ILE C 1 82 GLU N 106.00 154.00 116.08 104.69 129.55 1.31 18 0 "[ . 1 . 2]"
123 . 1 81 ILE C 1 82 GLU N 1 82 GLU CA 1 82 GLU C -155.00 -71.00 -104.47 -138.76 -83.11 . . 0 "[ . 1 . 2]"
124 . 1 82 GLU N 1 82 GLU CA 1 82 GLU C 1 83 GLY N 124.00 176.00 163.16 173.55 168.13 3.84 19 0 "[ . 1 . 2]"
125 . 1 83 GLY C 1 84 VAL N 1 84 VAL CA 1 84 VAL C -148.00 -108.00 -141.66 -144.44 -147.91 4.42 17 0 "[ . 1 . 2]"
126 . 1 84 VAL N 1 84 VAL CA 1 84 VAL C 1 85 VAL N 114.00 154.00 131.35 133.60 131.35 . . 0 "[ . 1 . 2]"
127 . 1 84 VAL C 1 85 VAL N 1 85 VAL CA 1 85 VAL C -145.00 -41.00 -104.48 -122.83 -89.43 . . 0 "[ . 1 . 2]"
128 . 1 85 VAL N 1 85 VAL CA 1 85 VAL C 1 86 PRO N 87.00 171.00 91.89 84.66 102.27 2.34 20 0 "[ . 1 . 2]"
129 . 1 86 PRO N 1 86 PRO CA 1 86 PRO C 1 87 PHE N -56.00 0.00 -35.78 -56.70 0.20 0.70 16 0 "[ . 1 . 2]"
130 . 1 86 PRO C 1 87 PHE N 1 87 PHE CA 1 87 PHE C -111.00 -63.00 -82.04 -99.47 -111.09 0.09 1 0 "[ . 1 . 2]"
131 . 1 87 PHE N 1 87 PHE CA 1 87 PHE C 1 88 GLY N -26.00 30.00 -28.12 -32.63 -20.94 6.63 9 3 "[ . +1 * - 2]"
132 . 1 87 PHE C 1 88 GLY N 1 88 GLY CA 1 88 GLY C 45.00 109.00 65.95 63.18 62.87 . . 0 "[ . 1 . 2]"
133 . 1 88 GLY N 1 88 GLY CA 1 88 GLY C 1 89 ALA N -5.00 51.00 19.86 30.08 29.96 1.52 12 0 "[ . 1 . 2]"
134 . 1 88 GLY C 1 89 ALA N 1 89 ALA CA 1 89 ALA C -89.00 -41.00 -79.48 -74.07 -75.92 1.16 20 0 "[ . 1 . 2]"
135 . 1 89 ALA N 1 89 ALA CA 1 89 ALA C 1 90 ASN N -72.00 16.00 1.96 -17.48 17.77 1.77 16 0 "[ . 1 . 2]"
136 . 1 89 ALA C 1 90 ASN N 1 90 ASN CA 1 90 ASN C -92.00 -52.00 -64.24 -75.32 -48.44 3.56 8 0 "[ . 1 . 2]"
137 . 1 90 ASN N 1 90 ASN CA 1 90 ASN C 1 91 ASN N -58.00 -10.00 -21.98 -37.69 -9.12 0.88 20 0 "[ . 1 . 2]"
138 . 1 90 ASN C 1 91 ASN N 1 91 ASN CA 1 91 ASN C -103.00 -39.00 -71.93 -69.71 -70.84 . . 0 "[ . 1 . 2]"
139 . 1 91 ASN N 1 91 ASN CA 1 91 ASN C 1 92 ALA N -62.00 -10.00 -41.64 -30.35 -34.23 . . 0 "[ . 1 . 2]"
140 . 1 91 ASN C 1 92 ALA N 1 92 ALA CA 1 92 ALA C -98.00 -46.00 -86.71 -101.94 -68.07 3.94 3 0 "[ . 1 . 2]"
141 . 1 92 ALA N 1 92 ALA CA 1 92 ALA C 1 93 PHE N -61.00 -9.00 -50.14 -49.24 -51.59 3.64 19 0 "[ . 1 . 2]"
142 . 1 93 PHE C 1 94 THR N 1 94 THR CA 1 94 THR C -167.00 -99.00 -104.01 -103.24 -157.50 8.81 20 5 "[ - . * * * . +]"
143 . 1 94 THR N 1 94 THR CA 1 94 THR C 1 95 MET N 111.00 179.00 123.05 108.75 169.06 2.25 20 0 "[ . 1 . 2]"
144 . 1 94 THR C 1 95 MET N 1 95 MET CA 1 95 MET C -169.00 -113.00 -132.78 -137.95 -147.45 0.94 20 0 "[ . 1 . 2]"
145 . 1 95 MET N 1 95 MET CA 1 95 MET C 1 96 PRO N 84.00 168.00 151.36 155.72 153.12 . . 0 "[ . 1 . 2]"
146 . 1 96 PRO N 1 96 PRO CA 1 96 PRO C 1 97 LEU N 127.00 175.00 127.79 120.45 146.62 6.55 17 2 "[ - . 1 . + 2]"
147 . 1 96 PRO C 1 97 LEU N 1 97 LEU CA 1 97 LEU C -180.00 -88.00 -102.57 -137.36 -85.90 2.10 11 0 "[ . 1 . 2]"
148 . 1 97 LEU N 1 97 LEU CA 1 97 LEU C 1 98 HIS N 114.00 154.00 145.49 117.62 156.64 2.64 7 0 "[ . 1 . 2]"
149 . 1 97 LEU C 1 98 HIS N 1 98 HIS CA 1 98 HIS C -166.00 -70.00 -76.98 -91.13 -69.44 0.56 1 0 "[ . 1 . 2]"
150 . 1 98 HIS N 1 98 HIS CA 1 98 HIS C 1 99 MET N 112.00 152.00 108.62 108.82 108.20 5.19 19 1 "[ . 1 . +2]"
151 . 1 98 HIS C 1 99 MET N 1 99 MET CA 1 99 MET C -162.00 -86.00 -103.02 -116.05 -89.85 . . 0 "[ . 1 . 2]"
152 . 1 99 MET N 1 99 MET CA 1 99 MET C 1 100 THR N 113.00 169.00 141.00 110.23 169.45 2.77 9 0 "[ . 1 . 2]"
153 . 1 99 MET C 1 100 THR N 1 100 THR CA 1 100 THR C -156.00 -80.00 -129.40 -126.35 -141.27 . . 0 "[ . 1 . 2]"
154 . 1 100 THR N 1 100 THR CA 1 100 THR C 1 101 PHE N 109.00 157.00 134.60 116.90 156.17 . . 0 "[ . 1 . 2]"
155 . 1 100 THR C 1 101 PHE N 1 101 PHE CA 1 101 PHE C -158.00 -86.00 -99.00 -92.19 -94.06 0.60 11 0 "[ . 1 . 2]"
156 . 1 101 PHE N 1 101 PHE CA 1 101 PHE C 1 102 TRP N 118.00 166.00 120.45 123.56 121.01 4.30 13 0 "[ . 1 . 2]"
157 . 1 101 PHE C 1 102 TRP N 1 102 TRP CA 1 102 TRP C -177.00 -85.00 -123.90 -131.36 -114.54 . . 0 "[ . 1 . 2]"
158 . 1 102 TRP N 1 102 TRP CA 1 102 TRP C 1 103 GLY N 102.00 -170.00 103.63 97.68 115.78 4.32 16 0 "[ . 1 . 2]"
159 . 1 103 GLY C 1 104 LYS N 1 104 LYS CA 1 104 LYS C -129.00 -33.00 -62.54 -63.47 -64.19 . . 0 "[ . 1 . 2]"
160 . 1 104 LYS N 1 104 LYS CA 1 104 LYS C 1 105 GLU N 103.00 171.00 144.21 137.69 152.25 . . 0 "[ . 1 . 2]"
161 . 1 104 LYS C 1 105 GLU N 1 105 GLU CA 1 105 GLU C -76.00 -36.00 -54.65 -57.59 -58.34 . . 0 "[ . 1 . 2]"
162 . 1 105 GLU N 1 105 GLU CA 1 105 GLU C 1 106 GLU N -73.00 -13.00 -32.45 -48.02 -18.78 . . 0 "[ . 1 . 2]"
163 . 1 105 GLU C 1 106 GLU N 1 106 GLU CA 1 106 GLU C -93.00 -53.00 -69.59 -71.34 -73.43 . . 0 "[ . 1 . 2]"
164 . 1 106 GLU N 1 106 GLU CA 1 106 GLU C 1 107 ASN N -57.00 19.00 -20.86 -32.31 -6.51 . . 0 "[ . 1 . 2]"
165 . 1 107 ASN C 1 108 ARG N 1 108 ARG CA 1 108 ARG C -80.00 -40.00 -59.92 -65.82 -52.17 . . 0 "[ . 1 . 2]"
166 . 1 108 ARG N 1 108 ARG CA 1 108 ARG C 1 109 LYS N -64.00 -24.00 -34.81 -37.97 -38.11 . . 0 "[ . 1 . 2]"
167 . 1 108 ARG C 1 109 LYS N 1 109 LYS CA 1 109 LYS C -80.00 -40.00 -69.71 -72.35 -76.11 1.72 13 0 "[ . 1 . 2]"
168 . 1 109 LYS N 1 109 LYS CA 1 109 LYS C 1 110 ALA N -63.00 -23.00 -34.55 -53.20 -24.64 . . 0 "[ . 1 . 2]"
169 . 1 109 LYS C 1 110 ALA N 1 110 ALA CA 1 110 ALA C -82.00 -42.00 -76.69 -73.70 -75.11 0.68 20 0 "[ . 1 . 2]"
170 . 1 110 ALA N 1 110 ALA CA 1 110 ALA C 1 111 VAL N -63.00 -23.00 -38.83 -36.29 -38.31 . . 0 "[ . 1 . 2]"
171 . 1 110 ALA C 1 111 VAL N 1 111 VAL CA 1 111 VAL C -86.00 -46.00 -63.71 -62.80 -63.96 . . 0 "[ . 1 . 2]"
172 . 1 111 VAL N 1 111 VAL CA 1 111 VAL C 1 112 SER N -61.00 -21.00 -48.71 -57.75 -40.97 . . 0 "[ . 1 . 2]"
173 . 1 111 VAL C 1 112 SER N 1 112 SER CA 1 112 SER C -79.00 -39.00 -65.94 -73.11 -58.58 . . 0 "[ . 1 . 2]"
174 . 1 112 SER N 1 112 SER CA 1 112 SER C 1 113 ASP N -65.00 -25.00 -31.53 -26.78 -29.75 2.31 10 0 "[ . 1 . 2]"
175 . 1 112 SER C 1 113 ASP N 1 113 ASP CA 1 113 ASP C -85.00 -45.00 -58.49 -67.26 -54.46 . . 0 "[ . 1 . 2]"
176 . 1 113 ASP N 1 113 ASP CA 1 113 ASP C 1 114 GLN N -62.00 -22.00 -42.47 -41.40 -42.43 . . 0 "[ . 1 . 2]"
177 . 1 113 ASP C 1 114 GLN N 1 114 GLN CA 1 114 GLN C -83.00 -43.00 -69.25 -79.51 -63.15 . . 0 "[ . 1 . 2]"
178 . 1 114 GLN N 1 114 GLN CA 1 114 GLN C 1 115 LEU N -63.00 -23.00 -36.10 -44.27 -25.81 . . 0 "[ . 1 . 2]"
179 . 1 114 GLN C 1 115 LEU N 1 115 LEU CA 1 115 LEU C -82.00 -42.00 -69.06 -66.11 -68.15 . . 0 "[ . 1 . 2]"
180 . 1 115 LEU N 1 115 LEU CA 1 115 LEU C 1 116 LYS N -62.00 -22.00 -53.17 -62.66 -39.51 0.66 7 0 "[ . 1 . 2]"
181 . 1 115 LEU C 1 116 LYS N 1 116 LYS CA 1 116 LYS C -84.00 -44.00 -61.34 -67.68 -54.64 . . 0 "[ . 1 . 2]"
182 . 1 116 LYS N 1 116 LYS CA 1 116 LYS C 1 117 LYS N -63.00 -23.00 -27.08 -22.94 -25.07 3.90 7 0 "[ . 1 . 2]"
183 . 1 116 LYS C 1 117 LYS N 1 117 LYS CA 1 117 LYS C -82.00 -42.00 -56.87 -54.80 -55.55 . . 0 "[ . 1 . 2]"
184 . 1 117 LYS N 1 117 LYS CA 1 117 LYS C 1 118 HIS N -52.00 -4.00 -46.57 -53.30 -39.03 1.30 18 0 "[ . 1 . 2]"
185 . 1 117 LYS C 1 118 HIS N 1 118 HIS CA 1 118 HIS C -110.00 -70.00 -99.56 -96.78 -97.62 1.59 3 0 "[ . 1 . 2]"
186 . 1 118 HIS N 1 118 HIS CA 1 118 HIS C 1 119 GLY N -27.00 21.00 -12.16 -28.37 18.70 1.37 15 0 "[ . 1 . 2]"
187 . 1 118 HIS C 1 119 GLY N 1 119 GLY CA 1 119 GLY C 52.00 116.00 93.92 98.11 95.85 1.67 7 0 "[ . 1 . 2]"
188 . 1 119 GLY N 1 119 GLY CA 1 119 GLY C 1 120 PHE N -13.00 43.00 22.14 29.88 26.76 . . 0 "[ . 1 . 2]"
189 . 1 119 GLY C 1 120 PHE N 1 120 PHE CA 1 120 PHE C -136.00 -48.00 -76.09 -99.83 -63.95 . . 0 "[ . 1 . 2]"
190 . 1 120 PHE N 1 120 PHE CA 1 120 PHE C 1 121 LYS N 130.00 174.00 148.48 126.62 177.78 3.78 18 0 "[ . 1 . 2]"
191 . 1 120 PHE C 1 121 LYS N 1 121 LYS CA 1 121 LYS C 174.00 -46.00 -144.33 -176.42 -48.03 . . 0 "[ . 1 . 2]"
192 . 1 121 LYS N 1 121 LYS CA 1 121 LYS C 1 122 LEU N 110.00 150.00 148.99 150.11 147.77 10.45 17 1 "[ . 1 . + 2]"
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