NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
592326 |
2n2h   |
25599 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2n2h
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 200
_TA_constraint_stats_list.Viol_count 163
_TA_constraint_stats_list.Viol_total 2635.67
_TA_constraint_stats_list.Viol_max 4.40
_TA_constraint_stats_list.Viol_rms 0.21
_TA_constraint_stats_list.Viol_average_all_restraints 0.03
_TA_constraint_stats_list.Viol_average_violations_only 0.81
_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 . 2 11 ASP C 2 12 GLU N 2 12 GLU CA 2 12 GLU C -81.00 -45.00 -69.92 -82.16 -62.25 1.16 14 0 "[ . 1 . 2]"
2 . 2 12 GLU C 2 13 ARG N 2 13 ARG CA 2 13 ARG C -77.00 -47.00 -63.21 -75.72 -51.46 . . 0 "[ . 1 . 2]"
3 . 2 13 ARG C 2 14 PHE N 2 14 PHE CA 2 14 PHE C -108.00 -24.00 -59.22 -65.78 -50.65 . . 0 "[ . 1 . 2]"
4 . 2 14 PHE C 2 15 GLU N 2 15 GLU CA 2 15 GLU C -77.00 -47.00 -63.95 -70.78 -55.03 . . 0 "[ . 1 . 2]"
5 . 2 15 GLU C 2 16 LEU N 2 16 LEU CA 2 16 LEU C -115.00 -25.00 -64.51 -60.75 -62.22 . . 0 "[ . 1 . 2]"
6 . 2 16 LEU C 2 17 ASP N 2 17 ASP CA 2 17 ASP C -78.00 -48.00 -62.79 -68.11 -56.46 . . 0 "[ . 1 . 2]"
7 . 2 17 ASP C 2 18 VAL N 2 18 VAL CA 2 18 VAL C -81.00 -51.00 -65.46 -69.14 -71.00 . . 0 "[ . 1 . 2]"
8 . 2 18 VAL C 2 19 VAL N 2 19 VAL CA 2 19 VAL C -80.00 -50.00 -63.75 -64.79 -65.53 . . 0 "[ . 1 . 2]"
9 . 2 19 VAL C 2 20 LEU N 2 20 LEU CA 2 20 LEU C -76.00 -46.00 -64.86 -67.32 -69.22 . . 0 "[ . 1 . 2]"
10 . 2 20 LEU C 2 21 GLU N 2 21 GLU CA 2 21 GLU C -81.00 -51.00 -63.48 -71.33 -56.87 . . 0 "[ . 1 . 2]"
11 . 2 21 GLU C 2 22 THR N 2 22 THR CA 2 22 THR C -80.00 -50.00 -61.37 -67.17 -55.13 . . 0 "[ . 1 . 2]"
12 . 2 22 THR C 2 23 ASN N 2 23 ASN CA 2 23 ASN C -79.00 -49.00 -60.51 -66.52 -56.29 . . 0 "[ . 1 . 2]"
13 . 2 23 ASN C 2 24 LEU N 2 24 LEU CA 2 24 LEU C -78.00 -48.00 -58.72 -65.91 -53.47 . . 0 "[ . 1 . 2]"
14 . 2 24 LEU C 2 25 ALA N 2 25 ALA CA 2 25 ALA C -83.00 -47.00 -60.03 -60.72 -61.36 . . 0 "[ . 1 . 2]"
15 . 2 25 ALA C 2 26 THR N 2 26 THR CA 2 26 THR C -94.00 -40.00 -68.76 -70.80 -72.29 . . 0 "[ . 1 . 2]"
16 . 2 26 THR C 2 27 ILE N 2 27 ILE CA 2 27 ILE C -89.00 -47.00 -56.54 -55.41 -56.55 . . 0 "[ . 1 . 2]"
17 . 2 27 ILE C 2 28 ARG N 2 28 ARG CA 2 28 ARG C -79.00 -49.00 -59.04 -67.27 -52.73 . . 0 "[ . 1 . 2]"
18 . 2 28 ARG C 2 29 VAL N 2 29 VAL CA 2 29 VAL C -83.00 -47.00 -66.69 -72.20 -63.98 . . 0 "[ . 1 . 2]"
19 . 2 29 VAL C 2 30 LEU N 2 30 LEU CA 2 30 LEU C -80.00 -44.00 -66.05 -65.30 -67.60 . . 0 "[ . 1 . 2]"
20 . 2 30 LEU C 2 31 GLU N 2 31 GLU CA 2 31 GLU C -81.00 -45.00 -62.14 -59.96 -60.92 . . 0 "[ . 1 . 2]"
21 . 2 31 GLU C 2 32 ALA N 2 32 ALA CA 2 32 ALA C -86.00 -50.00 -64.07 -64.66 -65.13 . . 0 "[ . 1 . 2]"
22 . 2 32 ALA C 2 33 ILE N 2 33 ILE CA 2 33 ILE C -82.00 -52.00 -62.77 -69.62 -58.20 . . 0 "[ . 1 . 2]"
23 . 2 33 ILE C 2 34 GLN N 2 34 GLN CA 2 34 GLN C -79.00 -49.00 -59.54 -59.95 -60.65 . . 0 "[ . 1 . 2]"
24 . 2 34 GLN C 2 35 LYS N 2 35 LYS CA 2 35 LYS C -79.00 -49.00 -67.19 -67.23 -68.72 . . 0 "[ . 1 . 2]"
25 . 2 35 LYS C 2 36 LYS N 2 36 LYS CA 2 36 LYS C -82.00 -52.00 -72.18 -67.78 -68.60 . . 0 "[ . 1 . 2]"
26 . 2 36 LYS C 2 37 LEU N 2 37 LEU CA 2 37 LEU C -76.00 -40.00 -68.08 -75.98 -58.01 . . 0 "[ . 1 . 2]"
27 . 2 40 LEU C 2 41 SER N 2 41 SER CA 2 41 SER C -108.00 -48.00 -76.50 -109.49 -62.97 1.49 11 0 "[ . 1 . 2]"
28 . 2 41 SER C 2 42 ALA N 2 42 ALA CA 2 42 ALA C -76.00 -46.00 -55.75 -57.13 -58.51 . . 0 "[ . 1 . 2]"
29 . 2 42 ALA C 2 43 GLU N 2 43 GLU CA 2 43 GLU C -82.00 -46.00 -62.40 -67.14 -56.31 . . 0 "[ . 1 . 2]"
30 . 2 43 GLU C 2 44 GLU N 2 44 GLU CA 2 44 GLU C -79.00 -49.00 -76.17 -78.53 -79.08 0.92 13 0 "[ . 1 . 2]"
31 . 2 44 GLU C 2 45 GLN N 2 45 GLN CA 2 45 GLN C -80.00 -38.00 -70.96 -70.02 -71.49 . . 0 "[ . 1 . 2]"
32 . 2 45 GLN C 2 46 ALA N 2 46 ALA CA 2 46 ALA C -89.00 -47.00 -76.92 -76.14 -76.95 . . 0 "[ . 1 . 2]"
33 . 2 58 SER C 2 59 GLU N 2 59 GLU CA 2 59 GLU C -85.00 -49.00 -68.04 -85.65 -55.53 0.65 13 0 "[ . 1 . 2]"
34 . 2 59 GLU C 2 60 VAL N 2 60 VAL CA 2 60 VAL C -83.00 -47.00 -55.82 -56.07 -56.69 . . 0 "[ . 1 . 2]"
35 . 2 60 VAL C 2 61 ILE N 2 61 ILE CA 2 61 ILE C -85.00 -49.00 -67.48 -71.83 -60.54 . . 0 "[ . 1 . 2]"
36 . 2 62 HIS C 2 63 ARG N 2 63 ARG CA 2 63 ARG C -78.00 -48.00 -63.49 -71.85 -58.92 . . 0 "[ . 1 . 2]"
37 . 2 63 ARG C 2 64 LYS N 2 64 LYS CA 2 64 LYS C -79.00 -43.00 -62.65 -69.07 -59.66 . . 0 "[ . 1 . 2]"
38 . 2 64 LYS C 2 65 ALA N 2 65 ALA CA 2 65 ALA C -80.00 -50.00 -62.42 -66.88 -59.26 . . 0 "[ . 1 . 2]"
39 . 2 65 ALA C 2 66 LEU N 2 66 LEU CA 2 66 LEU C -104.00 -38.00 -69.49 -72.76 -75.47 . . 0 "[ . 1 . 2]"
40 . 2 66 LEU C 2 67 GLN N 2 67 GLN CA 2 67 GLN C -77.00 -47.00 -70.87 -75.90 -66.50 . . 0 "[ . 1 . 2]"
41 . 2 67 GLN C 2 68 ARG N 2 68 ARG CA 2 68 ARG C -94.00 -52.00 -72.18 -68.09 -72.27 . . 0 "[ . 1 . 2]"
42 . 2 70 TYR C 2 71 ALA N 2 71 ALA CA 2 71 ALA C -99.00 -33.00 -36.98 -46.55 -30.92 2.08 15 0 "[ . 1 . 2]"
43 . 2 71 ALA C 2 72 ASP N 2 72 ASP CA 2 72 ASP C -94.00 -40.00 -77.27 -73.37 -73.97 0.18 3 0 "[ . 1 . 2]"
44 . 2 73 LYS C 2 74 ALA N 2 74 ALA CA 2 74 ALA C -76.00 -46.00 -63.75 -76.27 -56.94 0.27 20 0 "[ . 1 . 2]"
45 . 2 74 ALA C 2 75 ALA N 2 75 ALA CA 2 75 ALA C -76.00 -40.00 -60.35 -57.20 -57.84 . . 0 "[ . 1 . 2]"
46 . 2 75 ALA C 2 76 ASP N 2 76 ASP CA 2 76 ASP C -87.00 -39.00 -73.55 -86.47 -63.66 . . 0 "[ . 1 . 2]"
47 . 2 76 ASP C 2 77 ILE N 2 77 ILE CA 2 77 ILE C -82.00 -52.00 -70.53 -73.16 -75.79 . . 0 "[ . 1 . 2]"
48 . 2 77 ILE C 2 78 ILE N 2 78 ILE CA 2 78 ILE C -76.00 -46.00 -60.35 -58.56 -59.08 . . 0 "[ . 1 . 2]"
49 . 2 78 ILE C 2 79 ASP N 2 79 ASP CA 2 79 ASP C -85.00 -49.00 -65.46 -76.47 -56.36 . . 0 "[ . 1 . 2]"
50 . 2 79 ASP C 2 80 GLY N 2 80 GLY CA 2 80 GLY C -84.00 -48.00 -60.82 -70.01 -50.59 . . 0 "[ . 1 . 2]"
51 . 2 80 GLY C 2 81 LEU N 2 81 LEU CA 2 81 LEU C -80.00 -50.00 -60.02 -63.40 -67.31 . . 0 "[ . 1 . 2]"
52 . 2 81 LEU C 2 82 ARG N 2 82 ARG CA 2 82 ARG C -98.00 -32.00 -85.49 -86.69 -87.81 0.95 6 0 "[ . 1 . 2]"
53 . 2 84 ASN C 2 85 PRO N 2 85 PRO CA 2 85 PRO C -75.00 -33.00 -65.60 -71.11 -57.29 . . 0 "[ . 1 . 2]"
54 . 2 85 PRO C 2 86 SER N 2 86 SER CA 2 86 SER C -84.00 -48.00 -72.26 -73.36 -74.84 . . 0 "[ . 1 . 2]"
55 . 2 86 SER C 2 87 ILE N 2 87 ILE CA 2 87 ILE C -124.00 -40.00 -104.14 -94.60 -97.97 . . 0 "[ . 1 . 2]"
56 . 2 87 ILE C 2 88 ALA N 2 88 ALA CA 2 88 ALA C -118.00 -22.00 -71.53 -64.72 -66.65 . . 0 "[ . 1 . 2]"
57 . 2 88 ALA C 2 89 VAL N 2 89 VAL CA 2 89 VAL C -76.00 -28.00 -54.48 -59.37 -48.85 . . 0 "[ . 1 . 2]"
58 . 2 89 VAL C 2 90 PRO N 2 90 PRO CA 2 90 PRO C -72.00 -42.00 -55.93 -72.31 -49.88 0.31 7 0 "[ . 1 . 2]"
59 . 2 90 PRO C 2 91 ILE N 2 91 ILE CA 2 91 ILE C -97.00 -37.00 -68.35 -67.80 -68.29 . . 0 "[ . 1 . 2]"
60 . 2 91 ILE C 2 92 VAL N 2 92 VAL CA 2 92 VAL C -77.00 -47.00 -63.64 -66.16 -58.74 . . 0 "[ . 1 . 2]"
61 . 2 92 VAL C 2 93 LEU N 2 93 LEU CA 2 93 LEU C -90.00 -36.00 -65.19 -72.72 -59.43 . . 0 "[ . 1 . 2]"
62 . 2 93 LEU C 2 94 LYS N 2 94 LYS CA 2 94 LYS C -94.00 -34.00 -63.57 -72.03 -56.09 . . 0 "[ . 1 . 2]"
63 . 2 94 LYS C 2 95 ARG N 2 95 ARG CA 2 95 ARG C -108.00 -36.00 -63.18 -68.20 -58.98 . . 0 "[ . 1 . 2]"
64 . 2 95 ARG C 2 96 LEU N 2 96 LEU CA 2 96 LEU C -121.00 -19.00 -68.07 -67.25 -68.12 . . 0 "[ . 1 . 2]"
65 . 2 96 LEU C 2 97 LYS N 2 97 LYS CA 2 97 LYS C -89.00 -41.00 -69.67 -65.97 -67.72 . . 0 "[ . 1 . 2]"
66 . 2 97 LYS C 2 98 MET N 2 98 MET CA 2 98 MET C -79.00 -43.00 -63.34 -61.62 -63.12 . . 0 "[ . 1 . 2]"
67 . 2 98 MET C 2 99 LYS N 2 99 LYS CA 2 99 LYS C -109.00 -25.00 -72.06 -70.65 -71.02 . . 0 "[ . 1 . 2]"
68 . 2 99 LYS C 2 100 GLU N 2 100 GLU CA 2 100 GLU C -80.00 -50.00 -56.91 -55.89 -56.33 . . 0 "[ . 1 . 2]"
69 . 2 100 GLU C 2 101 GLU N 2 101 GLU CA 2 101 GLU C -81.00 -45.00 -59.82 -61.03 -62.12 . . 0 "[ . 1 . 2]"
70 . 2 101 GLU C 2 102 GLU N 2 102 GLU CA 2 102 GLU C -80.00 -50.00 -60.05 -61.89 -65.17 . . 0 "[ . 1 . 2]"
71 . 2 102 GLU C 2 103 TRP N 2 103 TRP CA 2 103 TRP C -80.00 -50.00 -65.53 -63.18 -63.82 . . 0 "[ . 1 . 2]"
72 . 2 103 TRP C 2 104 ARG N 2 104 ARG CA 2 104 ARG C -80.00 -44.00 -65.65 -74.35 -60.00 . . 0 "[ . 1 . 2]"
73 . 2 104 ARG C 2 105 GLU N 2 105 GLU CA 2 105 GLU C -84.00 -48.00 -66.51 -81.28 -56.89 . . 0 "[ . 1 . 2]"
74 . 2 105 GLU C 2 106 ALA N 2 106 ALA CA 2 106 ALA C -82.00 -52.00 -66.61 -73.53 -62.43 . . 0 "[ . 1 . 2]"
75 . 2 106 ALA C 2 107 GLN N 2 107 GLN CA 2 107 GLN C -77.00 -47.00 -62.71 -62.56 -63.07 . . 0 "[ . 1 . 2]"
76 . 2 107 GLN C 2 108 ARG N 2 108 ARG CA 2 108 ARG C -87.00 -51.00 -63.78 -55.45 -60.53 0.18 2 0 "[ . 1 . 2]"
77 . 2 108 ARG C 2 109 GLY N 2 109 GLY CA 2 109 GLY C -90.00 -42.00 -72.55 -87.22 -60.41 . . 0 "[ . 1 . 2]"
78 . 2 109 GLY C 2 110 PHE N 2 110 PHE CA 2 110 PHE C -88.00 -40.00 -89.03 -90.92 -87.21 2.92 4 0 "[ . 1 . 2]"
79 . 2 110 PHE C 2 111 ASN N 2 111 ASN CA 2 111 ASN C -79.00 -49.00 -70.53 -79.94 -57.00 0.94 6 0 "[ . 1 . 2]"
80 . 2 111 ASN C 2 112 LYS N 2 112 LYS CA 2 112 LYS C -82.00 -46.00 -62.43 -64.28 -65.16 . . 0 "[ . 1 . 2]"
81 . 2 112 LYS C 2 113 VAL N 2 113 VAL CA 2 113 VAL C -95.00 -41.00 -62.21 -63.64 -64.30 . . 0 "[ . 1 . 2]"
82 . 2 113 VAL C 2 114 TRP N 2 114 TRP CA 2 114 TRP C -78.00 -48.00 -57.91 -64.91 -52.13 . . 0 "[ . 1 . 2]"
83 . 2 114 TRP C 2 115 ARG N 2 115 ARG CA 2 115 ARG C -79.00 -49.00 -62.83 -72.85 -53.95 . . 0 "[ . 1 . 2]"
84 . 2 115 ARG C 2 116 GLU N 2 116 GLU CA 2 116 GLU C -78.00 -48.00 -61.43 -55.42 -58.32 . . 0 "[ . 1 . 2]"
85 . 2 116 GLU C 2 117 GLN N 2 117 GLN CA 2 117 GLN C -89.00 -41.00 -80.48 -90.33 -62.04 1.33 5 0 "[ . 1 . 2]"
86 . 2 117 GLN C 2 118 ASN N 2 118 ASN CA 2 118 ASN C -80.00 -50.00 -76.85 -82.27 -65.28 2.27 20 0 "[ . 1 . 2]"
87 . 2 118 ASN C 2 119 GLU N 2 119 GLU CA 2 119 GLU C -80.00 -44.00 -72.34 -81.56 -50.64 1.56 17 0 "[ . 1 . 2]"
88 . 2 12 GLU N 2 12 GLU CA 2 12 GLU C 2 13 ARG N -63.00 -15.00 -46.49 -63.32 -19.92 0.32 8 0 "[ . 1 . 2]"
89 . 2 13 ARG N 2 13 ARG CA 2 13 ARG C 2 14 PHE N -67.00 -13.00 -38.92 -52.16 -26.19 . . 0 "[ . 1 . 2]"
90 . 2 14 PHE N 2 14 PHE CA 2 14 PHE C 2 15 GLU N -90.00 6.00 -45.44 -44.86 -45.47 . . 0 "[ . 1 . 2]"
91 . 2 15 GLU N 2 15 GLU CA 2 15 GLU C 2 16 LEU N -61.00 -25.00 -37.86 -35.01 -38.63 . . 0 "[ . 1 . 2]"
92 . 2 16 LEU N 2 16 LEU CA 2 16 LEU C 2 17 ASP N -89.00 19.00 -45.42 -51.98 -40.44 . . 0 "[ . 1 . 2]"
93 . 2 17 ASP N 2 17 ASP CA 2 17 ASP C 2 18 VAL N -59.00 -17.00 -43.17 -45.74 -46.14 . . 0 "[ . 1 . 2]"
94 . 2 18 VAL N 2 18 VAL CA 2 18 VAL C 2 19 VAL N -60.00 -24.00 -48.88 -53.44 -44.75 . . 0 "[ . 1 . 2]"
95 . 2 19 VAL N 2 19 VAL CA 2 19 VAL C 2 20 LEU N -57.00 -27.00 -39.32 -57.02 -33.89 0.02 16 0 "[ . 1 . 2]"
96 . 2 20 LEU N 2 20 LEU CA 2 20 LEU C 2 21 GLU N -57.00 -27.00 -44.62 -53.07 -39.10 . . 0 "[ . 1 . 2]"
97 . 2 21 GLU N 2 21 GLU CA 2 21 GLU C 2 22 THR N -56.00 -26.00 -45.97 -41.66 -42.93 . . 0 "[ . 1 . 2]"
98 . 2 22 THR N 2 22 THR CA 2 22 THR C 2 23 ASN N -58.00 -28.00 -41.22 -46.08 -33.30 . . 0 "[ . 1 . 2]"
99 . 2 23 ASN N 2 23 ASN CA 2 23 ASN C 2 24 LEU N -61.00 -25.00 -54.68 -47.38 -49.60 0.36 11 0 "[ . 1 . 2]"
100 . 2 24 LEU N 2 24 LEU CA 2 24 LEU C 2 25 ALA N -58.00 -28.00 -38.68 -40.44 -40.73 . . 0 "[ . 1 . 2]"
101 . 2 25 ALA N 2 25 ALA CA 2 25 ALA C 2 26 THR N -71.00 1.00 -46.16 -40.35 -42.15 . . 0 "[ . 1 . 2]"
102 . 2 26 THR N 2 26 THR CA 2 26 THR C 2 27 ILE N -61.00 -19.00 -35.45 -40.51 -29.89 . . 0 "[ . 1 . 2]"
103 . 2 27 ILE N 2 27 ILE CA 2 27 ILE C 2 28 ARG N -70.00 -16.00 -52.70 -60.63 -46.80 . . 0 "[ . 1 . 2]"
104 . 2 28 ARG N 2 28 ARG CA 2 28 ARG C 2 29 VAL N -61.00 -19.00 -46.48 -46.03 -50.70 . . 0 "[ . 1 . 2]"
105 . 2 29 VAL N 2 29 VAL CA 2 29 VAL C 2 30 LEU N -64.00 -28.00 -42.38 -37.08 -38.12 0.28 7 0 "[ . 1 . 2]"
106 . 2 30 LEU N 2 30 LEU CA 2 30 LEU C 2 31 GLU N -53.00 -23.00 -41.97 -43.46 -43.88 . . 0 "[ . 1 . 2]"
107 . 2 31 GLU N 2 31 GLU CA 2 31 GLU C 2 32 ALA N -60.00 -30.00 -38.81 -48.23 -32.54 . . 0 "[ . 1 . 2]"
108 . 2 32 ALA N 2 32 ALA CA 2 32 ALA C 2 33 ILE N -66.00 -6.00 -44.72 -45.33 -46.94 . . 0 "[ . 1 . 2]"
109 . 2 33 ILE N 2 33 ILE CA 2 33 ILE C 2 34 GLN N -57.00 -27.00 -48.52 -54.97 -40.72 . . 0 "[ . 1 . 2]"
110 . 2 34 GLN N 2 34 GLN CA 2 34 GLN C 2 35 LYS N -55.00 -25.00 -38.48 -48.20 -27.81 . . 0 "[ . 1 . 2]"
111 . 2 35 LYS N 2 35 LYS CA 2 35 LYS C 2 36 LYS N -61.00 -25.00 -38.73 -49.01 -24.24 0.76 16 0 "[ . 1 . 2]"
112 . 2 36 LYS N 2 36 LYS CA 2 36 LYS C 2 37 LEU N -66.00 -18.00 -34.13 -49.44 -23.94 . . 0 "[ . 1 . 2]"
113 . 2 37 LEU N 2 37 LEU CA 2 37 LEU C 2 38 SER N -70.00 -22.00 -60.53 -43.14 -55.22 1.17 11 0 "[ . 1 . 2]"
114 . 2 41 SER N 2 41 SER CA 2 41 SER C 2 42 ALA N 150.00 180.00 168.04 172.17 172.16 . . 0 "[ . 1 . 2]"
115 . 2 42 ALA N 2 42 ALA CA 2 42 ALA C 2 43 GLU N -54.00 -18.00 -44.37 -45.04 -47.06 . . 0 "[ . 1 . 2]"
116 . 2 43 GLU N 2 43 GLU CA 2 43 GLU C 2 44 GLU N -58.00 -28.00 -36.38 -45.02 -27.48 0.52 1 0 "[ . 1 . 2]"
117 . 2 44 GLU N 2 44 GLU CA 2 44 GLU C 2 45 GLN N -58.00 -22.00 -30.42 -42.23 -21.68 0.32 13 0 "[ . 1 . 2]"
118 . 2 45 GLN N 2 45 GLN CA 2 45 GLN C 2 46 ALA N -68.00 -20.00 -28.10 -34.29 -21.54 . . 0 "[ . 1 . 2]"
119 . 2 46 ALA N 2 46 ALA CA 2 46 ALA C 2 47 LYS N -52.00 -22.00 -30.97 -38.86 -42.00 0.77 10 0 "[ . 1 . 2]"
120 . 2 59 GLU N 2 59 GLU CA 2 59 GLU C 2 60 VAL N -61.00 -19.00 -40.83 -29.86 -35.25 . . 0 "[ . 1 . 2]"
121 . 2 60 VAL N 2 60 VAL CA 2 60 VAL C 2 61 ILE N -68.00 -14.00 -42.18 -48.60 -33.38 . . 0 "[ . 1 . 2]"
122 . 2 61 ILE N 2 61 ILE CA 2 61 ILE C 2 62 HIS N -60.00 -12.00 -42.05 -45.38 -50.92 . . 0 "[ . 1 . 2]"
123 . 2 63 ARG N 2 63 ARG CA 2 63 ARG C 2 64 LYS N -57.00 -27.00 -46.21 -44.03 -46.29 . . 0 "[ . 1 . 2]"
124 . 2 64 LYS N 2 64 LYS CA 2 64 LYS C 2 65 ALA N -75.00 -9.00 -42.83 -53.35 -34.81 . . 0 "[ . 1 . 2]"
125 . 2 65 ALA N 2 65 ALA CA 2 65 ALA C 2 66 LEU N -56.00 -26.00 -42.70 -47.31 -36.65 . . 0 "[ . 1 . 2]"
126 . 2 66 LEU N 2 66 LEU CA 2 66 LEU C 2 67 GLN N -69.00 -9.00 -35.58 -44.32 -27.34 . . 0 "[ . 1 . 2]"
127 . 2 67 GLN N 2 67 GLN CA 2 67 GLN C 2 68 ARG N -61.00 -25.00 -24.26 -28.05 -23.39 1.61 3 0 "[ . 1 . 2]"
128 . 2 68 ARG N 2 68 ARG CA 2 68 ARG C 2 69 ILE N -53.00 19.00 -25.87 -51.66 14.63 . . 0 "[ . 1 . 2]"
129 . 2 71 ALA N 2 71 ALA CA 2 71 ALA C 2 72 ASP N -69.00 -9.00 -48.96 -29.94 -34.73 . . 0 "[ . 1 . 2]"
130 . 2 72 ASP N 2 72 ASP CA 2 72 ASP C 2 73 LYS N -49.00 -1.00 -27.51 -49.65 -1.09 0.65 6 0 "[ . 1 . 2]"
131 . 2 74 ALA N 2 74 ALA CA 2 74 ALA C 2 75 ALA N -74.00 -14.00 -39.24 -31.18 -34.15 . . 0 "[ . 1 . 2]"
132 . 2 75 ALA N 2 75 ALA CA 2 75 ALA C 2 76 ASP N -59.00 -29.00 -34.73 -35.15 -36.98 0.75 13 0 "[ . 1 . 2]"
133 . 2 76 ASP N 2 76 ASP CA 2 76 ASP C 2 77 ILE N -66.00 -24.00 -39.15 -35.62 -36.77 0.28 20 0 "[ . 1 . 2]"
134 . 2 77 ILE N 2 77 ILE CA 2 77 ILE C 2 78 ILE N -56.00 -20.00 -42.92 -49.15 -30.79 . . 0 "[ . 1 . 2]"
135 . 2 78 ILE N 2 78 ILE CA 2 78 ILE C 2 79 ASP N -62.00 -32.00 -41.45 -42.15 -43.38 . . 0 "[ . 1 . 2]"
136 . 2 79 ASP N 2 79 ASP CA 2 79 ASP C 2 80 GLY N -61.00 -19.00 -39.45 -37.73 -39.62 . . 0 "[ . 1 . 2]"
137 . 2 80 GLY N 2 80 GLY CA 2 80 GLY C 2 81 LEU N -62.00 -32.00 -43.17 -37.88 -39.09 . . 0 "[ . 1 . 2]"
138 . 2 81 LEU N 2 81 LEU CA 2 81 LEU C 2 82 ARG N -71.00 -5.00 -37.58 -30.71 -32.32 . . 0 "[ . 1 . 2]"
139 . 2 82 ARG N 2 82 ARG CA 2 82 ARG C 2 83 LYS N -79.00 17.00 -4.53 -71.28 18.57 1.57 19 0 "[ . 1 . 2]"
140 . 2 85 PRO N 2 85 PRO CA 2 85 PRO C 2 86 SER N -59.00 -11.00 -35.38 -27.74 -29.55 . . 0 "[ . 1 . 2]"
141 . 2 86 SER N 2 86 SER CA 2 86 SER C 2 87 ILE N -65.00 1.00 -9.62 -29.20 1.77 0.77 13 0 "[ . 1 . 2]"
142 . 2 87 ILE N 2 87 ILE CA 2 87 ILE C 2 88 ALA N -80.00 22.00 -59.26 -66.70 -45.81 . . 0 "[ . 1 . 2]"
143 . 2 88 ALA N 2 88 ALA CA 2 88 ALA C 2 89 VAL N -68.00 -2.00 -44.47 -45.61 -47.69 . . 0 "[ . 1 . 2]"
144 . 2 89 VAL N 2 89 VAL CA 2 89 VAL C 2 90 PRO N -70.00 -34.00 -52.15 -57.19 -36.04 . . 0 "[ . 1 . 2]"
145 . 2 90 PRO N 2 90 PRO CA 2 90 PRO C 2 91 ILE N -65.00 -5.00 -43.40 -50.40 -34.37 . . 0 "[ . 1 . 2]"
146 . 2 91 ILE N 2 91 ILE CA 2 91 ILE C 2 92 VAL N -65.00 -17.00 -52.93 -57.31 -48.01 . . 0 "[ . 1 . 2]"
147 . 2 92 VAL N 2 92 VAL CA 2 92 VAL C 2 93 LEU N -65.00 -23.00 -35.68 -35.44 -37.97 . . 0 "[ . 1 . 2]"
148 . 2 93 LEU N 2 93 LEU CA 2 93 LEU C 2 94 LYS N -67.00 -19.00 -41.31 -37.56 -40.25 . . 0 "[ . 1 . 2]"
149 . 2 94 LYS N 2 94 LYS CA 2 94 LYS C 2 95 ARG N -72.00 0.00 -42.15 -38.56 -38.71 . . 0 "[ . 1 . 2]"
150 . 2 95 ARG N 2 95 ARG CA 2 95 ARG C 2 96 LEU N -69.00 9.00 -41.27 -42.08 -42.71 . . 0 "[ . 1 . 2]"
151 . 2 96 LEU N 2 96 LEU CA 2 96 LEU C 2 97 LYS N -84.00 18.00 -34.80 -45.62 -29.04 . . 0 "[ . 1 . 2]"
152 . 2 97 LYS N 2 97 LYS CA 2 97 LYS C 2 98 MET N -74.00 4.00 -39.09 -49.82 -33.20 . . 0 "[ . 1 . 2]"
153 . 2 98 MET N 2 98 MET CA 2 98 MET C 2 99 LYS N -62.00 -32.00 -41.41 -52.88 -31.55 0.45 18 0 "[ . 1 . 2]"
154 . 2 99 LYS N 2 99 LYS CA 2 99 LYS C 2 100 GLU N -76.00 8.00 -32.03 -38.80 -17.62 . . 0 "[ . 1 . 2]"
155 . 2 100 GLU N 2 100 GLU CA 2 100 GLU C 2 101 GLU N -65.00 -17.00 -48.74 -55.98 -42.06 . . 0 "[ . 1 . 2]"
156 . 2 101 GLU N 2 101 GLU CA 2 101 GLU C 2 102 GLU N -60.00 -18.00 -45.41 -54.43 -33.61 . . 0 "[ . 1 . 2]"
157 . 2 102 GLU N 2 102 GLU CA 2 102 GLU C 2 103 TRP N -58.00 -28.00 -50.51 -55.97 -43.03 . . 0 "[ . 1 . 2]"
158 . 2 103 TRP N 2 103 TRP CA 2 103 TRP C 2 104 ARG N -75.00 -9.00 -34.60 -36.71 -38.82 . . 0 "[ . 1 . 2]"
159 . 2 104 ARG N 2 104 ARG CA 2 104 ARG C 2 105 GLU N -59.00 -17.00 -40.05 -39.25 -40.37 . . 0 "[ . 1 . 2]"
160 . 2 105 GLU N 2 105 GLU CA 2 105 GLU C 2 106 ALA N -60.00 -30.00 -37.81 -38.22 -39.13 0.39 10 0 "[ . 1 . 2]"
161 . 2 106 ALA N 2 106 ALA CA 2 106 ALA C 2 107 GLN N -54.00 -24.00 -46.44 -51.42 -39.68 . . 0 "[ . 1 . 2]"
162 . 2 107 GLN N 2 107 GLN CA 2 107 GLN C 2 108 ARG N -62.00 -26.00 -37.09 -54.61 -28.72 . . 0 "[ . 1 . 2]"
163 . 2 108 ARG N 2 108 ARG CA 2 108 ARG C 2 109 GLY N -53.00 -17.00 -39.75 -53.69 -16.39 0.69 3 0 "[ . 1 . 2]"
164 . 2 109 GLY N 2 109 GLY CA 2 109 GLY C 2 110 PHE N -72.00 -18.00 -45.29 -46.53 -47.12 . . 0 "[ . 1 . 2]"
165 . 2 110 PHE N 2 110 PHE CA 2 110 PHE C 2 111 ASN N -64.00 -16.00 -65.13 -67.46 -61.64 3.46 6 0 "[ . 1 . 2]"
166 . 2 111 ASN N 2 111 ASN CA 2 111 ASN C 2 112 LYS N -72.00 -6.00 -50.69 -58.03 -35.12 . . 0 "[ . 1 . 2]"
167 . 2 112 LYS N 2 112 LYS CA 2 112 LYS C 2 113 VAL N -66.00 -6.00 -50.39 -60.17 -29.93 . . 0 "[ . 1 . 2]"
168 . 2 113 VAL N 2 113 VAL CA 2 113 VAL C 2 114 TRP N -77.00 -11.00 -40.65 -50.11 -33.78 . . 0 "[ . 1 . 2]"
169 . 2 114 TRP N 2 114 TRP CA 2 114 TRP C 2 115 ARG N -73.00 -13.00 -45.50 -40.30 -42.15 . . 0 "[ . 1 . 2]"
170 . 2 115 ARG N 2 115 ARG CA 2 115 ARG C 2 116 GLU N -78.00 0.00 -45.02 -45.46 -46.95 . . 0 "[ . 1 . 2]"
171 . 2 116 GLU N 2 116 GLU CA 2 116 GLU C 2 117 GLN N -69.00 -15.00 -35.99 -50.13 -54.37 0.64 20 0 "[ . 1 . 2]"
172 . 2 117 GLN N 2 117 GLN CA 2 117 GLN C 2 118 ASN N -72.00 -6.00 -32.79 -38.05 -40.28 . . 0 "[ . 1 . 2]"
173 . 2 118 ASN N 2 118 ASN CA 2 118 ASN C 2 119 GLU N -69.00 -3.00 -44.23 -17.68 -31.89 . . 0 "[ . 1 . 2]"
174 . 2 119 GLU N 2 119 GLU CA 2 119 GLU C 2 120 LYS N -70.00 -4.00 -34.84 -8.15 -15.79 1.48 3 0 "[ . 1 . 2]"
175 . 1 11 THR C 1 12 ASP N 1 12 ASP CA 1 12 ASP C -76.00 -46.00 -53.78 -59.70 -60.76 0.46 11 0 "[ . 1 . 2]"
176 . 1 12 ASP C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -80.00 -50.00 -57.65 -59.31 -59.72 0.58 13 0 "[ . 1 . 2]"
177 . 1 13 GLU C 1 14 GLN N 1 14 GLN CA 1 14 GLN C -81.00 -51.00 -69.36 -78.32 -60.01 . . 0 "[ . 1 . 2]"
178 . 1 14 GLN C 1 15 ILE N 1 15 ILE CA 1 15 ILE C -80.00 -44.00 -60.59 -58.00 -59.01 . . 0 "[ . 1 . 2]"
179 . 1 15 ILE C 1 16 MET N 1 16 MET CA 1 16 MET C -76.00 -46.00 -65.78 -72.80 -59.90 . . 0 "[ . 1 . 2]"
180 . 1 16 MET C 1 17 GLU N 1 17 GLU CA 1 17 GLU C -84.00 -48.00 -59.46 -65.66 -54.87 . . 0 "[ . 1 . 2]"
181 . 1 17 GLU C 1 18 ASP N 1 18 ASP CA 1 18 ASP C -78.00 -48.00 -61.53 -77.44 -56.48 . . 0 "[ . 1 . 2]"
182 . 1 18 ASP C 1 19 LEU N 1 19 LEU CA 1 19 LEU C -76.00 -46.00 -56.43 -55.92 -56.87 . . 0 "[ . 1 . 2]"
183 . 1 19 LEU C 1 20 ARG N 1 20 ARG CA 1 20 ARG C -79.00 -49.00 -65.01 -79.27 -55.54 0.27 6 0 "[ . 1 . 2]"
184 . 1 20 ARG C 1 21 THR N 1 21 THR CA 1 21 THR C -99.00 -33.00 -66.70 -84.86 -59.60 . . 0 "[ . 1 . 2]"
185 . 1 21 THR C 1 22 LEU N 1 22 LEU CA 1 22 LEU C -95.00 -41.00 -60.61 -78.50 -53.99 . . 0 "[ . 1 . 2]"
186 . 1 22 LEU C 1 23 ASN N 1 23 ASN CA 1 23 ASN C -112.00 -28.00 -90.12 -112.35 -67.52 0.35 20 0 "[ . 1 . 2]"
187 . 1 23 ASN C 1 24 LYS N 1 24 LYS CA 1 24 LYS C -111.00 -27.00 -90.34 -101.85 -107.34 . . 0 "[ . 1 . 2]"
188 . 1 12 ASP N 1 12 ASP CA 1 12 ASP C 1 13 GLU N -57.00 -21.00 -36.04 -48.89 -22.33 . . 0 "[ . 1 . 2]"
189 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 GLN N -56.00 -26.00 -46.05 -50.49 -54.07 0.27 13 0 "[ . 1 . 2]"
190 . 1 14 GLN N 1 14 GLN CA 1 14 GLN C 1 15 ILE N -55.00 -25.00 -39.70 -41.96 -43.80 . . 0 "[ . 1 . 2]"
191 . 1 15 ILE N 1 15 ILE CA 1 15 ILE C 1 16 MET N -67.00 -19.00 -49.09 -56.92 -38.79 . . 0 "[ . 1 . 2]"
192 . 1 16 MET N 1 16 MET CA 1 16 MET C 1 17 GLU N -60.00 -18.00 -34.52 -33.69 -36.87 . . 0 "[ . 1 . 2]"
193 . 1 17 GLU N 1 17 GLU CA 1 17 GLU C 1 18 ASP N -55.00 -25.00 -46.25 -41.27 -42.39 0.56 9 0 "[ . 1 . 2]"
194 . 1 18 ASP N 1 18 ASP CA 1 18 ASP C 1 19 LEU N -58.00 -28.00 -47.98 -46.36 -47.26 . . 0 "[ . 1 . 2]"
195 . 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 ARG N -55.00 -25.00 -43.62 -50.50 -36.53 . . 0 "[ . 1 . 2]"
196 . 1 20 ARG N 1 20 ARG CA 1 20 ARG C 1 21 THR N -66.00 -12.00 -38.54 -41.52 -43.89 . . 0 "[ . 1 . 2]"
197 . 1 21 THR N 1 21 THR CA 1 21 THR C 1 22 LEU N -68.00 -8.00 -36.55 -41.08 -44.78 . . 0 "[ . 1 . 2]"
198 . 1 22 LEU N 1 22 LEU CA 1 22 LEU C 1 23 ASN N -58.00 -10.00 -32.51 -43.11 -47.53 . . 0 "[ . 1 . 2]"
199 . 1 23 ASN N 1 23 ASN CA 1 23 ASN C 1 24 LYS N -78.00 24.00 -21.21 4.10 -0.90 . . 0 "[ . 1 . 2]"
200 . 1 24 LYS N 1 24 LYS CA 1 24 LYS C 1 25 LEU N -80.00 16.00 -25.86 -57.46 -67.79 4.40 20 0 "[ . 1 . 2]"
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