NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
593412 |
5aj1   |
26553 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_5aj1
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 1267
_TA_constraint_stats_list.Viol_total 14679.93
_TA_constraint_stats_list.Viol_max 3.76
_TA_constraint_stats_list.Viol_rms 0.43
_TA_constraint_stats_list.Viol_average_all_restraints 0.19
_TA_constraint_stats_list.Viol_average_violations_only 0.58
_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 34 VAL N 1 34 VAL CA 1 34 VAL CB 1 34 VAL CG1 135.00 -135.00 -173.10 -172.89 -173.80 . . 0 "[ . 1 . 2]"
2 . 1 59 VAL N 1 59 VAL CA 1 59 VAL CB 1 59 VAL CG1 135.00 -135.00 -173.45 179.69 -171.22 . . 0 "[ . 1 . 2]"
3 . 1 66 VAL N 1 66 VAL CA 1 66 VAL CB 1 66 VAL CG1 135.00 -135.00 -175.31 -179.60 -172.34 . . 0 "[ . 1 . 2]"
4 . 1 98 VAL N 1 98 VAL CA 1 98 VAL CB 1 98 VAL CG1 135.00 -135.00 -170.02 -171.74 -172.18 . . 0 "[ . 1 . 2]"
5 . 1 12 PHE N 1 12 PHE CA 1 12 PHE CB 1 12 PHE CG -105.00 -15.00 -17.84 -19.23 -19.73 1.25 17 0 "[ . 1 . 2]"
6 . 1 18 LYS N 1 18 LYS CA 1 18 LYS CB 1 18 LYS CG 15.00 105.00 54.71 57.90 57.04 . . 0 "[ . 1 . 2]"
7 . 1 19 PHE N 1 19 PHE CA 1 19 PHE CB 1 19 PHE CG 15.00 105.00 48.76 48.49 48.36 . . 0 "[ . 1 . 2]"
8 . 1 20 GLN N 1 20 GLN CA 1 20 GLN CB 1 20 GLN CG 135.00 -135.00 -145.11 -150.78 -139.40 . . 0 "[ . 1 . 2]"
9 . 1 21 LEU N 1 21 LEU CA 1 21 LEU CB 1 21 LEU CG -105.00 -15.00 -96.93 -105.28 -65.54 0.28 8 0 "[ . 1 . 2]"
10 . 1 27 PHE N 1 27 PHE CA 1 27 PHE CB 1 27 PHE CG -105.00 -15.00 -93.92 -94.38 -94.48 . . 0 "[ . 1 . 2]"
11 . 1 28 TYR N 1 28 TYR CA 1 28 TYR CB 1 28 TYR CG -105.00 -15.00 -65.77 -65.64 -65.98 . . 0 "[ . 1 . 2]"
12 . 1 29 MET N 1 29 MET CA 1 29 MET CB 1 29 MET CG -105.00 -15.00 -83.59 -99.40 -63.80 . . 0 "[ . 1 . 2]"
13 . 1 33 GLU N 1 33 GLU CA 1 33 GLU CB 1 33 GLU CG -105.00 -15.00 -74.88 -94.59 -63.61 . . 0 "[ . 1 . 2]"
14 . 1 37 TYR N 1 37 TYR CA 1 37 TYR CB 1 37 TYR CG 135.00 -135.00 -164.16 -166.21 -158.31 . . 0 "[ . 1 . 2]"
15 . 1 38 LEU N 1 38 LEU CA 1 38 LEU CB 1 38 LEU CG -105.00 -15.00 -58.33 -60.40 -60.81 . . 0 "[ . 1 . 2]"
16 . 1 39 ARG N 1 39 ARG CA 1 39 ARG CB 1 39 ARG CG 135.00 -135.00 -149.63 -161.83 -162.95 . . 0 "[ . 1 . 2]"
17 . 1 41 PHE N 1 41 PHE CA 1 41 PHE CB 1 41 PHE CG -105.00 -15.00 -38.22 -39.50 -35.64 . . 0 "[ . 1 . 2]"
18 . 1 45 LEU N 1 45 LEU CA 1 45 LEU CB 1 45 LEU CG 135.00 -135.00 -169.52 175.75 -146.46 . . 0 "[ . 1 . 2]"
19 . 1 46 TYR N 1 46 TYR CA 1 46 TYR CB 1 46 TYR CG -105.00 -15.00 -57.93 -60.30 -60.85 . . 0 "[ . 1 . 2]"
20 . 1 52 LEU N 1 52 LEU CA 1 52 LEU CB 1 52 LEU CG 135.00 -135.00 -147.05 -152.52 -152.81 0.10 12 0 "[ . 1 . 2]"
21 . 1 53 TRP N 1 53 TRP CA 1 53 TRP CB 1 53 TRP CG 135.00 -135.00 -177.14 -179.99 -174.75 . . 0 "[ . 1 . 2]"
22 . 1 56 LEU N 1 56 LEU CA 1 56 LEU CB 1 56 LEU CG -105.00 -15.00 -88.40 -96.01 -84.85 . . 0 "[ . 1 . 2]"
23 . 1 61 GLU N 1 61 GLU CA 1 61 GLU CB 1 61 GLU CG -105.00 -15.00 -80.82 -74.43 -76.23 . . 0 "[ . 1 . 2]"
24 . 1 92 LEU N 1 92 LEU CA 1 92 LEU CB 1 92 LEU CG -105.00 -15.00 -67.54 -105.30 -42.28 0.30 18 0 "[ . 1 . 2]"
25 . 1 93 LEU N 1 93 LEU CA 1 93 LEU CB 1 93 LEU CG -105.00 -15.00 -93.11 -105.13 -79.49 0.13 12 0 "[ . 1 . 2]"
26 . 1 94 LYS N 1 94 LYS CA 1 94 LYS CB 1 94 LYS CG -105.00 -15.00 -70.54 -106.21 -61.91 1.21 13 0 "[ . 1 . 2]"
27 . 1 102 LEU N 1 102 LEU CA 1 102 LEU CB 1 102 LEU CG -105.00 -15.00 -68.06 -68.39 -70.22 . . 0 "[ . 1 . 2]"
28 . 1 106 ASP N 1 106 ASP CA 1 106 ASP CB 1 106 ASP CG 15.00 105.00 52.25 55.93 54.70 . . 0 "[ . 1 . 2]"
29 . 1 109 TYR N 1 109 TYR CA 1 109 TYR CB 1 109 TYR CG -105.00 -15.00 -55.67 -67.08 -44.66 . . 0 "[ . 1 . 2]"
30 . 1 110 LYS N 1 110 LYS CA 1 110 LYS CB 1 110 LYS CG -105.00 -15.00 -17.41 -52.46 -13.99 1.01 4 0 "[ . 1 . 2]"
31 . 1 10 LYS C 1 11 THR N 1 11 THR CA 1 11 THR C -153.00 -91.00 -120.17 -153.04 -92.79 0.04 17 0 "[ . 1 . 2]"
32 . 1 11 THR C 1 12 PHE N 1 12 PHE CA 1 12 PHE C -138.00 -84.00 -137.30 -138.76 -127.95 0.76 9 0 "[ . 1 . 2]"
33 . 1 12 PHE C 1 13 GLY N 1 13 GLY CA 1 13 GLY C 97.00 -83.00 97.19 95.66 95.57 1.91 9 0 "[ . 1 . 2]"
34 . 1 13 GLY C 1 14 GLN N 1 14 GLN CA 1 14 GLN C -126.00 -68.00 -68.71 -67.59 -67.67 0.67 15 0 "[ . 1 . 2]"
35 . 1 14 GLN C 1 15 LYS N 1 15 LYS CA 1 15 LYS C -111.00 -71.00 -68.47 -68.61 -68.67 3.33 17 0 "[ . 1 . 2]"
36 . 1 15 LYS C 1 16 PRO N 1 16 PRO CA 1 16 PRO C -75.00 -61.00 -60.50 -64.43 -59.40 1.60 11 0 "[ . 1 . 2]"
37 . 1 16 PRO C 1 17 VAL N 1 17 VAL CA 1 17 VAL C -111.00 -73.00 -73.10 -72.78 -72.84 0.66 9 0 "[ . 1 . 2]"
38 . 1 17 VAL C 1 18 LYS N 1 18 LYS CA 1 18 LYS C -143.00 -107.00 -111.38 -115.72 -106.67 0.33 5 0 "[ . 1 . 2]"
39 . 1 18 LYS C 1 19 PHE N 1 19 PHE CA 1 19 PHE C -165.00 -137.00 -154.02 -148.05 -149.31 . . 0 "[ . 1 . 2]"
40 . 1 19 PHE C 1 20 GLN N 1 20 GLN CA 1 20 GLN C -141.00 -103.00 -102.95 -104.60 -102.38 0.62 11 0 "[ . 1 . 2]"
41 . 1 21 LEU C 1 22 GLU N 1 22 GLU CA 1 22 GLU C -133.00 -75.00 -124.51 -125.76 -126.40 0.06 9 0 "[ . 1 . 2]"
42 . 1 22 GLU C 1 23 ASP N 1 23 ASP CA 1 23 ASP C -72.00 -38.00 -65.61 -63.05 -63.29 . . 0 "[ . 1 . 2]"
43 . 1 23 ASP C 1 24 ASP N 1 24 ASP CA 1 24 ASP C -94.00 -82.00 -81.16 -81.12 -81.14 1.10 9 0 "[ . 1 . 2]"
44 . 1 24 ASP C 1 25 GLY N 1 25 GLY CA 1 25 GLY C 75.00 103.00 99.08 94.63 103.29 0.29 11 0 "[ . 1 . 2]"
45 . 1 25 GLY C 1 26 GLU N 1 26 GLU CA 1 26 GLU C -103.00 -67.00 -80.18 -96.64 -69.22 . . 0 "[ . 1 . 2]"
46 . 1 26 GLU C 1 27 PHE N 1 27 PHE CA 1 27 PHE C -138.00 -92.00 -111.55 -117.48 -109.77 . . 0 "[ . 1 . 2]"
47 . 1 27 PHE C 1 28 TYR N 1 28 TYR CA 1 28 TYR C -132.00 -94.00 -123.85 -128.70 -121.16 . . 0 "[ . 1 . 2]"
48 . 1 28 TYR C 1 29 MET N 1 29 MET CA 1 29 MET C -159.00 -131.00 -132.49 -131.63 -132.20 0.14 13 0 "[ . 1 . 2]"
49 . 1 29 MET C 1 30 ILE N 1 30 ILE CA 1 30 ILE C -103.00 -65.00 -76.81 -80.40 -72.14 . . 0 "[ . 1 . 2]"
50 . 1 30 ILE C 1 31 GLY N 1 31 GLY CA 1 31 GLY C -66.00 -56.00 -54.77 -54.97 -54.50 1.50 9 0 "[ . 1 . 2]"
51 . 1 31 GLY C 1 32 SER N 1 32 SER CA 1 32 SER C -69.00 -57.00 -61.59 -64.16 -57.19 . . 0 "[ . 1 . 2]"
52 . 1 32 SER C 1 33 GLU N 1 33 GLU CA 1 33 GLU C -74.00 -62.00 -70.03 -71.76 -66.45 . . 0 "[ . 1 . 2]"
53 . 1 33 GLU C 1 34 VAL N 1 34 VAL CA 1 34 VAL C -66.00 -56.00 -62.59 -61.22 -61.40 0.03 6 0 "[ . 1 . 2]"
54 . 1 34 VAL C 1 35 GLY N 1 35 GLY CA 1 35 GLY C -67.00 -59.00 -62.03 -64.37 -58.56 0.44 3 0 "[ . 1 . 2]"
55 . 1 35 GLY C 1 36 ASN N 1 36 ASN CA 1 36 ASN C -69.00 -61.00 -64.59 -66.63 -61.68 . . 0 "[ . 1 . 2]"
56 . 1 36 ASN C 1 37 TYR N 1 37 TYR CA 1 37 TYR C -78.00 -60.00 -60.77 -63.12 -59.55 0.45 5 0 "[ . 1 . 2]"
57 . 1 37 TYR C 1 38 LEU N 1 38 LEU CA 1 38 LEU C -115.00 -87.00 -95.28 -94.28 -94.66 . . 0 "[ . 1 . 2]"
58 . 1 38 LEU C 1 39 ARG N 1 39 ARG CA 1 39 ARG C 52.00 68.00 68.43 68.53 68.45 0.78 10 0 "[ . 1 . 2]"
59 . 1 39 ARG C 1 40 MET N 1 40 MET CA 1 40 MET C -125.00 -101.00 -101.58 -101.01 -101.10 0.12 5 0 "[ . 1 . 2]"
60 . 1 40 MET C 1 41 PHE N 1 41 PHE CA 1 41 PHE C -126.00 -70.00 -126.67 -126.90 -126.46 0.90 5 0 "[ . 1 . 2]"
61 . 1 41 PHE C 1 42 ARG N 1 42 ARG CA 1 42 ARG C 46.00 74.00 57.46 54.75 60.40 . . 0 "[ . 1 . 2]"
62 . 1 42 ARG C 1 43 GLY N 1 43 GLY CA 1 43 GLY C 57.00 113.00 64.69 58.42 73.13 . . 0 "[ . 1 . 2]"
63 . 1 43 GLY C 1 44 SER N 1 44 SER CA 1 44 SER C -69.00 -57.00 -60.95 -66.40 -57.42 . . 0 "[ . 1 . 2]"
64 . 1 44 SER C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -81.00 -65.00 -64.93 -65.49 -64.80 0.20 11 0 "[ . 1 . 2]"
65 . 1 45 LEU C 1 46 TYR N 1 46 TYR CA 1 46 TYR C -82.00 -60.00 -68.10 -69.31 -70.43 . . 0 "[ . 1 . 2]"
66 . 1 46 TYR C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -108.00 -50.00 -67.73 -70.59 -70.92 . . 0 "[ . 1 . 2]"
67 . 1 47 LYS C 1 48 ARG N 1 48 ARG CA 1 48 ARG C -92.00 -72.00 -87.47 -84.94 -86.69 0.43 3 0 "[ . 1 . 2]"
68 . 1 48 ARG C 1 49 TYR N 1 49 TYR CA 1 49 TYR C -145.00 -109.00 -131.63 -135.36 -119.43 . . 0 "[ . 1 . 2]"
69 . 1 49 TYR C 1 50 PRO N 1 50 PRO CA 1 50 PRO C -65.00 -53.00 -62.30 -64.96 -60.22 . . 0 "[ . 1 . 2]"
70 . 1 50 PRO C 1 51 SER N 1 51 SER CA 1 51 SER C -100.00 -72.00 -78.48 -80.34 -85.17 . . 0 "[ . 1 . 2]"
71 . 1 51 SER C 1 52 LEU N 1 52 LEU CA 1 52 LEU C -101.00 -67.00 -77.37 -80.04 -82.32 . . 0 "[ . 1 . 2]"
72 . 1 52 LEU C 1 53 TRP N 1 53 TRP CA 1 53 TRP C -112.00 -70.00 -71.47 -79.01 -69.29 0.71 4 0 "[ . 1 . 2]"
73 . 1 53 TRP C 1 54 ARG N 1 54 ARG CA 1 54 ARG C -139.00 -109.00 -139.13 -139.70 -132.99 0.70 7 0 "[ . 1 . 2]"
74 . 1 54 ARG C 1 55 ARG N 1 55 ARG CA 1 55 ARG C -154.00 -122.00 -153.22 -153.05 -154.10 0.72 10 0 "[ . 1 . 2]"
75 . 1 55 ARG C 1 56 LEU N 1 56 LEU CA 1 56 LEU C -105.00 -73.00 -89.64 -85.53 -90.13 0.17 16 0 "[ . 1 . 2]"
76 . 1 56 LEU C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -119.00 -69.00 -91.53 -108.85 -76.44 . . 0 "[ . 1 . 2]"
77 . 1 57 ALA C 1 58 THR N 1 58 THR CA 1 58 THR C -104.00 -72.00 -73.20 -83.01 -71.81 0.19 10 0 "[ . 1 . 2]"
78 . 1 58 THR C 1 59 VAL N 1 59 VAL CA 1 59 VAL C -70.00 -54.00 -55.83 -61.39 -53.29 0.71 18 0 "[ . 1 . 2]"
79 . 1 59 VAL C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -70.00 -56.00 -67.96 -70.49 -61.83 0.49 19 0 "[ . 1 . 2]"
80 . 1 60 GLU C 1 61 GLU N 1 61 GLU CA 1 61 GLU C -69.00 -57.00 -61.37 -61.31 -61.36 0.29 12 0 "[ . 1 . 2]"
81 . 1 61 GLU C 1 62 ARG N 1 62 ARG CA 1 62 ARG C -67.00 -61.00 -61.57 -60.81 -60.86 0.42 12 0 "[ . 1 . 2]"
82 . 1 62 ARG C 1 63 LYS N 1 63 LYS CA 1 63 LYS C -66.70 -58.10 -58.31 -63.81 -57.22 0.88 12 0 "[ . 1 . 2]"
83 . 1 63 LYS C 1 64 LYS N 1 64 LYS CA 1 64 LYS C -67.70 -60.50 -68.19 -68.05 -68.07 1.16 10 0 "[ . 1 . 2]"
84 . 1 64 LYS C 1 65 ILE N 1 65 ILE CA 1 65 ILE C -71.00 -59.80 -61.67 -59.96 -60.28 0.30 15 0 "[ . 1 . 2]"
85 . 1 65 ILE C 1 66 VAL N 1 66 VAL CA 1 66 VAL C -70.70 -57.70 -63.28 -70.88 -58.41 0.18 4 0 "[ . 1 . 2]"
86 . 1 66 VAL C 1 67 ALA N 1 67 ALA CA 1 67 ALA C -72.00 -60.00 -72.49 -73.26 -71.97 1.26 3 0 "[ . 1 . 2]"
87 . 1 67 ALA C 1 68 SER N 1 68 SER CA 1 68 SER C -79.00 -57.00 -76.93 -79.24 -72.59 0.24 8 0 "[ . 1 . 2]"
88 . 1 68 SER C 1 69 SER N 1 69 SER CA 1 69 SER C -91.00 -55.00 -67.50 -75.67 -76.24 1.53 3 0 "[ . 1 . 2]"
89 . 1 87 ALA C 1 88 THR N 1 88 THR CA 1 88 THR C -112.00 -72.00 -92.06 -112.10 -71.40 0.60 14 0 "[ . 1 . 2]"
90 . 1 88 THR C 1 89 SER N 1 89 SER CA 1 89 SER C -159.00 -81.00 -158.81 -159.85 -154.07 0.85 12 0 "[ . 1 . 2]"
91 . 1 89 SER C 1 90 VAL N 1 90 VAL CA 1 90 VAL C -130.00 -90.00 -118.64 -130.12 -111.21 0.12 10 0 "[ . 1 . 2]"
92 . 1 90 VAL C 1 91 THR N 1 91 THR CA 1 91 THR C -123.00 -91.00 -92.03 -95.45 -90.78 0.22 19 0 "[ . 1 . 2]"
93 . 1 91 THR C 1 92 LEU N 1 92 LEU CA 1 92 LEU C -143.00 -97.00 -102.97 -115.69 -96.75 0.25 13 0 "[ . 1 . 2]"
94 . 1 92 LEU C 1 93 LEU N 1 93 LEU CA 1 93 LEU C -151.00 -97.00 -136.30 -135.75 -135.95 . . 0 "[ . 1 . 2]"
95 . 1 93 LEU C 1 94 LYS N 1 94 LYS CA 1 94 LYS C -109.00 -53.00 -73.90 -78.38 -69.07 . . 0 "[ . 1 . 2]"
96 . 1 94 LYS C 1 95 ALA N 1 95 ALA CA 1 95 ALA C -59.00 -49.00 -50.73 -51.32 -52.33 0.13 18 0 "[ . 1 . 2]"
97 . 1 95 ALA C 1 96 SER N 1 96 SER CA 1 96 SER C -65.00 -55.00 -61.52 -61.52 -62.53 0.05 15 0 "[ . 1 . 2]"
98 . 1 96 SER C 1 97 GLU N 1 97 GLU CA 1 97 GLU C -68.00 -60.00 -67.85 -68.98 -66.23 0.98 2 0 "[ . 1 . 2]"
99 . 1 97 GLU C 1 98 VAL N 1 98 VAL CA 1 98 VAL C -64.00 -58.00 -62.28 -62.30 -62.49 0.32 15 0 "[ . 1 . 2]"
100 . 1 98 VAL C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -63.00 -55.00 -56.34 -55.45 -56.20 0.56 16 0 "[ . 1 . 2]"
101 . 1 99 GLU C 1 100 GLU N 1 100 GLU CA 1 100 GLU C -71.00 -61.00 -62.10 -62.11 -62.32 0.18 5 0 "[ . 1 . 2]"
102 . 1 100 GLU C 1 101 ILE N 1 101 ILE CA 1 101 ILE C -68.00 -62.00 -61.87 -62.96 -61.13 0.87 9 0 "[ . 1 . 2]"
103 . 1 101 ILE C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -71.00 -63.00 -66.13 -67.72 -63.91 . . 0 "[ . 1 . 2]"
104 . 1 102 LEU C 1 103 ASP N 1 103 ASP CA 1 103 ASP C -102.00 -78.00 -77.75 -77.78 -77.80 0.62 5 0 "[ . 1 . 2]"
105 . 1 103 ASP C 1 104 GLY N 1 104 GLY CA 1 104 GLY C 80.00 100.00 101.43 101.64 101.57 1.89 4 0 "[ . 1 . 2]"
106 . 1 104 GLY C 1 105 ASN N 1 105 ASN CA 1 105 ASN C -103.00 -73.00 -104.32 -105.15 -103.95 2.15 4 0 "[ . 1 . 2]"
107 . 1 106 ASP C 1 107 GLU N 1 107 GLU CA 1 107 GLU C -60.00 -52.00 -55.16 -56.93 -57.46 0.33 4 0 "[ . 1 . 2]"
108 . 1 107 GLU C 1 108 LYS N 1 108 LYS CA 1 108 LYS C -74.00 -58.00 -69.84 -74.08 -74.10 0.83 17 0 "[ . 1 . 2]"
109 . 1 108 LYS C 1 109 TYR N 1 109 TYR CA 1 109 TYR C -100.00 -58.00 -81.20 -82.21 -83.64 . . 0 "[ . 1 . 2]"
110 . 1 109 TYR C 1 110 LYS N 1 110 LYS CA 1 110 LYS C -113.00 -65.00 -76.23 -88.62 -64.84 0.16 12 0 "[ . 1 . 2]"
111 . 1 110 LYS C 1 111 ALA N 1 111 ALA CA 1 111 ALA C -116.00 -94.00 -106.69 -109.09 -115.98 0.21 11 0 "[ . 1 . 2]"
112 . 1 11 THR N 1 11 THR CA 1 11 THR C 1 12 PHE N 136.00 174.00 141.54 135.56 172.67 0.44 9 0 "[ . 1 . 2]"
113 . 1 12 PHE N 1 12 PHE CA 1 12 PHE C 1 13 GLY N 128.00 146.00 126.80 126.28 126.13 1.87 1 0 "[ . 1 . 2]"
114 . 1 13 GLY N 1 13 GLY CA 1 13 GLY C 1 14 GLN N 144.00 -172.00 -171.54 -170.46 -170.69 1.76 7 0 "[ . 1 . 2]"
115 . 1 14 GLN N 1 14 GLN CA 1 14 GLN C 1 15 LYS N 125.00 155.00 157.31 156.78 158.76 3.76 18 0 "[ . 1 . 2]"
116 . 1 15 LYS N 1 15 LYS CA 1 15 LYS C 1 16 PRO N 118.00 152.00 142.94 144.89 144.56 . . 0 "[ . 1 . 2]"
117 . 1 16 PRO N 1 16 PRO CA 1 16 PRO C 1 17 VAL N 142.00 162.00 159.21 155.32 162.48 0.48 9 0 "[ . 1 . 2]"
118 . 1 17 VAL N 1 17 VAL CA 1 17 VAL C 1 18 LYS N 109.00 153.00 118.07 115.68 121.67 . . 0 "[ . 1 . 2]"
119 . 1 18 LYS N 1 18 LYS CA 1 18 LYS C 1 19 PHE N 148.00 172.00 154.65 147.88 163.18 0.12 2 0 "[ . 1 . 2]"
120 . 1 19 PHE N 1 19 PHE CA 1 19 PHE C 1 20 GLN N 155.00 169.00 167.90 159.22 169.34 0.34 3 0 "[ . 1 . 2]"
121 . 1 20 GLN N 1 20 GLN CA 1 20 GLN C 1 21 LEU N 128.00 168.00 128.07 127.97 127.96 0.91 11 0 "[ . 1 . 2]"
122 . 1 22 GLU N 1 22 GLU CA 1 22 GLU C 1 23 ASP N 144.00 170.00 144.15 143.56 147.78 0.44 11 0 "[ . 1 . 2]"
123 . 1 23 ASP N 1 23 ASP CA 1 23 ASP C 1 24 ASP N -49.00 -13.00 -12.00 -12.11 -12.14 1.77 11 0 "[ . 1 . 2]"
124 . 1 24 ASP N 1 24 ASP CA 1 24 ASP C 1 25 GLY N -9.00 7.00 0.50 3.08 2.37 . . 0 "[ . 1 . 2]"
125 . 1 25 GLY N 1 25 GLY CA 1 25 GLY C 1 26 GLU N -8.00 26.00 21.89 11.63 10.28 0.06 12 0 "[ . 1 . 2]"
126 . 1 26 GLU N 1 26 GLU CA 1 26 GLU C 1 27 PHE N 117.00 175.00 116.72 116.78 116.73 1.52 11 0 "[ . 1 . 2]"
127 . 1 27 PHE N 1 27 PHE CA 1 27 PHE C 1 28 TYR N 121.00 157.00 132.62 128.86 136.71 . . 0 "[ . 1 . 2]"
128 . 1 28 TYR N 1 28 TYR CA 1 28 TYR C 1 29 MET N 140.00 166.00 166.60 166.43 166.84 0.84 14 0 "[ . 1 . 2]"
129 . 1 29 MET N 1 29 MET CA 1 29 MET C 1 30 ILE N 141.00 167.00 148.37 148.71 148.28 . . 0 "[ . 1 . 2]"
130 . 1 30 ILE N 1 30 ILE CA 1 30 ILE C 1 31 GLY N 113.00 157.00 121.35 121.21 120.45 . . 0 "[ . 1 . 2]"
131 . 1 31 GLY N 1 31 GLY CA 1 31 GLY C 1 32 SER N -43.00 -17.00 -30.19 -27.45 -28.37 . . 0 "[ . 1 . 2]"
132 . 1 32 SER N 1 32 SER CA 1 32 SER C 1 33 GLU N -48.00 -34.00 -41.09 -43.32 -38.56 . . 0 "[ . 1 . 2]"
133 . 1 33 GLU N 1 33 GLU CA 1 33 GLU C 1 34 VAL N -45.00 -33.00 -42.10 -45.06 -39.23 0.06 3 0 "[ . 1 . 2]"
134 . 1 34 VAL N 1 34 VAL CA 1 34 VAL C 1 35 GLY N -49.00 -41.00 -40.73 -40.81 -40.87 0.58 3 0 "[ . 1 . 2]"
135 . 1 35 GLY N 1 35 GLY CA 1 35 GLY C 1 36 ASN N -50.00 -34.00 -50.64 -50.87 -50.17 0.87 12 0 "[ . 1 . 2]"
136 . 1 36 ASN N 1 36 ASN CA 1 36 ASN C 1 37 TYR N -44.00 -34.00 -32.98 -33.21 -32.62 1.38 17 0 "[ . 1 . 2]"
137 . 1 37 TYR N 1 37 TYR CA 1 37 TYR C 1 38 LEU N -42.00 -20.00 -43.00 -42.90 -42.95 1.94 18 0 "[ . 1 . 2]"
138 . 1 38 LEU N 1 38 LEU CA 1 38 LEU C 1 39 ARG N -6.00 24.00 -2.55 -4.51 2.62 . . 0 "[ . 1 . 2]"
139 . 1 39 ARG N 1 39 ARG CA 1 39 ARG C 1 40 MET N 24.00 48.00 30.11 32.47 32.27 . . 0 "[ . 1 . 2]"
140 . 1 40 MET N 1 40 MET CA 1 40 MET C 1 41 PHE N 127.00 149.00 126.14 125.93 126.35 1.07 5 0 "[ . 1 . 2]"
141 . 1 41 PHE N 1 41 PHE CA 1 41 PHE C 1 42 ARG N 123.00 175.00 174.70 175.00 175.00 0.13 6 0 "[ . 1 . 2]"
142 . 1 42 ARG N 1 42 ARG CA 1 42 ARG C 1 43 GLY N 8.00 52.00 40.51 39.49 37.80 . . 0 "[ . 1 . 2]"
143 . 1 43 GLY N 1 43 GLY CA 1 43 GLY C 1 44 SER N -15.00 25.00 20.53 19.53 19.48 0.08 6 0 "[ . 1 . 2]"
144 . 1 44 SER N 1 44 SER CA 1 44 SER C 1 45 LEU N -42.00 -34.00 -33.90 -33.90 -33.96 0.30 15 0 "[ . 1 . 2]"
145 . 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 TYR N -52.00 -22.00 -51.12 -52.20 -45.74 0.20 16 0 "[ . 1 . 2]"
146 . 1 46 TYR N 1 46 TYR CA 1 46 TYR C 1 47 LYS N -39.00 -1.00 -37.31 -39.14 -30.45 0.14 6 0 "[ . 1 . 2]"
147 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 ARG N -53.00 -11.00 -35.27 -41.90 -28.92 . . 0 "[ . 1 . 2]"
148 . 1 48 ARG N 1 48 ARG CA 1 48 ARG C 1 49 TYR N -40.00 -10.00 -16.87 -20.83 -24.07 . . 0 "[ . 1 . 2]"
149 . 1 49 TYR N 1 49 TYR CA 1 49 TYR C 1 50 PRO N 55.00 113.00 66.12 59.91 74.03 . . 0 "[ . 1 . 2]"
150 . 1 50 PRO N 1 50 PRO CA 1 50 PRO C 1 51 SER N -32.00 -16.00 -30.49 -32.32 -23.49 0.32 13 0 "[ . 1 . 2]"
151 . 1 51 SER N 1 51 SER CA 1 51 SER C 1 52 LEU N -16.00 8.00 -3.30 -15.65 8.23 0.23 16 0 "[ . 1 . 2]"
152 . 1 52 LEU N 1 52 LEU CA 1 52 LEU C 1 53 TRP N 110.00 140.00 135.05 139.80 137.30 0.54 4 0 "[ . 1 . 2]"
153 . 1 53 TRP N 1 53 TRP CA 1 53 TRP C 1 54 ARG N 111.00 147.00 118.53 117.30 116.31 . . 0 "[ . 1 . 2]"
154 . 1 54 ARG N 1 54 ARG CA 1 54 ARG C 1 55 ARG N 139.00 167.00 138.84 138.56 138.43 0.86 10 0 "[ . 1 . 2]"
155 . 1 55 ARG N 1 55 ARG CA 1 55 ARG C 1 56 LEU N 142.00 166.00 159.71 143.61 166.21 0.21 3 0 "[ . 1 . 2]"
156 . 1 56 LEU N 1 56 LEU CA 1 56 LEU C 1 57 ALA N 131.00 153.00 142.63 151.60 150.37 0.26 9 0 "[ . 1 . 2]"
157 . 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 THR N 99.00 149.00 137.71 121.88 149.09 0.09 9 0 "[ . 1 . 2]"
158 . 1 58 THR N 1 58 THR CA 1 58 THR C 1 59 VAL N 157.00 171.00 169.80 171.30 169.50 0.88 3 0 "[ . 1 . 2]"
159 . 1 59 VAL N 1 59 VAL CA 1 59 VAL C 1 60 GLU N -49.00 -27.00 -40.70 -38.12 -39.07 0.66 20 0 "[ . 1 . 2]"
160 . 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 GLU N -51.00 -31.00 -44.60 -51.20 -33.12 0.20 18 0 "[ . 1 . 2]"
161 . 1 61 GLU N 1 61 GLU CA 1 61 GLU C 1 62 ARG N -53.00 -41.00 -44.57 -47.83 -39.95 1.05 12 0 "[ . 1 . 2]"
162 . 1 62 ARG N 1 62 ARG CA 1 62 ARG C 1 63 LYS N -49.00 -39.00 -42.01 -41.97 -42.32 0.60 5 0 "[ . 1 . 2]"
163 . 1 63 LYS N 1 63 LYS CA 1 63 LYS C 1 64 LYS N -49.80 -35.60 -44.54 -45.12 -45.72 . . 0 "[ . 1 . 2]"
164 . 1 64 LYS N 1 64 LYS CA 1 64 LYS C 1 65 ILE N -46.90 -34.90 -34.76 -34.70 -34.74 0.54 10 0 "[ . 1 . 2]"
165 . 1 65 ILE N 1 65 ILE CA 1 65 ILE C 1 66 VAL N -51.10 -26.50 -44.09 -47.51 -49.75 0.27 12 0 "[ . 1 . 2]"
166 . 1 66 VAL N 1 66 VAL CA 1 66 VAL C 1 67 ALA N -49.50 -29.70 -48.33 -50.64 -42.01 1.14 12 0 "[ . 1 . 2]"
167 . 1 67 ALA N 1 67 ALA CA 1 67 ALA C 1 68 SER N -45.00 -15.00 -43.04 -39.36 -42.17 0.23 14 0 "[ . 1 . 2]"
168 . 1 68 SER N 1 68 SER CA 1 68 SER C 1 69 SER N -51.00 -15.00 -45.76 -51.41 -12.60 2.40 3 0 "[ . 1 . 2]"
169 . 1 69 SER N 1 69 SER CA 1 69 SER C 1 70 HIS N -56.00 -12.00 -46.83 -47.35 -49.49 0.66 14 0 "[ . 1 . 2]"
170 . 1 88 THR N 1 88 THR CA 1 88 THR C 1 89 SER N -39.00 3.00 -35.68 -39.58 -27.50 0.58 12 0 "[ . 1 . 2]"
171 . 1 89 SER N 1 89 SER CA 1 89 SER C 1 90 VAL N 101.00 155.00 110.27 105.23 122.26 . . 0 "[ . 1 . 2]"
172 . 1 90 VAL N 1 90 VAL CA 1 90 VAL C 1 91 THR N 120.00 148.00 123.24 119.91 119.85 0.30 13 0 "[ . 1 . 2]"
173 . 1 91 THR N 1 91 THR CA 1 91 THR C 1 92 LEU N 110.00 134.00 122.93 125.92 122.48 0.22 9 0 "[ . 1 . 2]"
174 . 1 92 LEU N 1 92 LEU CA 1 92 LEU C 1 93 LEU N 145.00 167.00 146.30 144.20 149.50 0.80 18 0 "[ . 1 . 2]"
175 . 1 93 LEU N 1 93 LEU CA 1 93 LEU C 1 94 LYS N 146.00 170.00 154.58 149.31 158.97 . . 0 "[ . 1 . 2]"
176 . 1 94 LYS N 1 94 LYS CA 1 94 LYS C 1 95 ALA N 123.00 155.00 121.91 121.13 122.47 1.87 2 0 "[ . 1 . 2]"
177 . 1 95 ALA N 1 95 ALA CA 1 95 ALA C 1 96 SER N -53.00 -33.00 -40.44 -53.17 -32.84 0.17 9 0 "[ . 1 . 2]"
178 . 1 96 SER N 1 96 SER CA 1 96 SER C 1 97 GLU N -50.00 -34.00 -38.67 -42.74 -33.77 0.23 17 0 "[ . 1 . 2]"
179 . 1 97 GLU N 1 97 GLU CA 1 97 GLU C 1 98 VAL N -49.00 -41.00 -49.36 -49.29 -49.32 0.82 15 0 "[ . 1 . 2]"
180 . 1 98 VAL N 1 98 VAL CA 1 98 VAL C 1 99 GLU N -51.00 -35.00 -45.77 -51.24 -34.80 0.24 8 0 "[ . 1 . 2]"
181 . 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 GLU N -46.00 -34.00 -42.81 -42.18 -43.48 0.04 14 0 "[ . 1 . 2]"
182 . 1 100 GLU N 1 100 GLU CA 1 100 GLU C 1 101 ILE N -47.00 -39.00 -48.46 -48.85 -48.01 1.85 7 0 "[ . 1 . 2]"
183 . 1 101 ILE N 1 101 ILE CA 1 101 ILE C 1 102 LEU N -46.00 -40.00 -39.26 -39.14 -39.18 1.06 4 0 "[ . 1 . 2]"
184 . 1 102 LEU N 1 102 LEU CA 1 102 LEU C 1 103 ASP N -42.00 -14.00 -34.74 -34.63 -34.85 . . 0 "[ . 1 . 2]"
185 . 1 103 ASP N 1 103 ASP CA 1 103 ASP C 1 104 GLY N -22.00 4.00 -14.11 -15.88 -12.51 . . 0 "[ . 1 . 2]"
186 . 1 104 GLY N 1 104 GLY CA 1 104 GLY C 1 105 ASN N 5.00 19.00 3.74 3.81 3.80 1.94 4 0 "[ . 1 . 2]"
187 . 1 105 ASN N 1 105 ASN CA 1 105 ASN C 1 106 ASP N 112.00 178.00 111.14 111.43 111.33 1.32 4 0 "[ . 1 . 2]"
188 . 1 107 GLU N 1 107 GLU CA 1 107 GLU C 1 108 LYS N -50.00 -32.00 -39.04 -37.71 -38.02 0.09 4 0 "[ . 1 . 2]"
189 . 1 108 LYS N 1 108 LYS CA 1 108 LYS C 1 109 TYR N -36.00 -10.00 -26.04 -33.74 -9.96 0.04 16 0 "[ . 1 . 2]"
190 . 1 109 TYR N 1 109 TYR CA 1 109 TYR C 1 110 LYS N -46.00 -2.00 -38.94 -46.41 -29.58 0.41 16 0 "[ . 1 . 2]"
191 . 1 110 LYS N 1 110 LYS CA 1 110 LYS C 1 111 ALA N -52.00 -6.00 -13.90 -30.55 -32.19 0.28 18 0 "[ . 1 . 2]"
192 . 1 111 ALA N 1 111 ALA CA 1 111 ALA C 1 112 VAL N -4.00 30.00 21.77 2.63 30.61 0.61 4 0 "[ . 1 . 2]"
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