NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
431121 |
2jpd   |
15240 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2jpd
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 174
_TA_constraint_stats_list.Viol_count 1152
_TA_constraint_stats_list.Viol_total 17716.61
_TA_constraint_stats_list.Viol_max 4.82
_TA_constraint_stats_list.Viol_rms 0.53
_TA_constraint_stats_list.Viol_average_all_restraints 0.25
_TA_constraint_stats_list.Viol_average_violations_only 0.77
_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 2 ALA C 1 3 LYS N 1 3 LYS CA 1 3 LYS C -142.00 -74.00 -96.88 -129.59 -138.53 0.83 15 0 "[ . 1 . 2]"
2 . 1 3 LYS N 1 3 LYS CA 1 3 LYS C 1 4 SER N 97.00 159.00 123.10 152.66 152.63 0.38 6 0 "[ . 1 . 2]"
3 . 1 6 SER C 1 7 ILE N 1 7 ILE CA 1 7 ILE C -131.00 -75.00 -80.50 -104.54 -74.51 0.49 14 0 "[ . 1 . 2]"
4 . 1 7 ILE N 1 7 ILE CA 1 7 ILE C 1 8 ILE N 120.00 136.00 125.00 119.60 131.73 0.40 16 0 "[ . 1 . 2]"
5 . 1 7 ILE C 1 8 ILE N 1 8 ILE CA 1 8 ILE C -122.57 -97.79 -97.87 -97.90 -98.82 1.38 17 0 "[ . 1 . 2]"
6 . 1 8 ILE N 1 8 ILE CA 1 8 ILE C 1 9 VAL N 110.13 133.49 119.05 113.47 123.26 . . 0 "[ . 1 . 2]"
7 . 1 8 ILE C 1 9 VAL N 1 9 VAL CA 1 9 VAL C -127.92 -106.42 -106.00 -107.35 -109.32 1.78 16 0 "[ . 1 . 2]"
8 . 1 9 VAL N 1 9 VAL CA 1 9 VAL C 1 10 SER N 125.02 140.68 141.68 140.78 142.48 1.80 18 0 "[ . 1 . 2]"
9 . 1 9 VAL C 1 10 SER N 1 10 SER CA 1 10 SER C -116.00 -72.00 -79.39 -86.17 -71.50 0.50 17 0 "[ . 1 . 2]"
10 . 1 10 SER N 1 10 SER CA 1 10 SER C 1 11 PRO N 113.00 175.00 135.32 125.19 148.95 . . 0 "[ . 1 . 2]"
11 . 1 11 PRO N 1 11 PRO CA 1 11 PRO C 1 12 ARG N -37.00 -19.00 -19.50 -18.45 -18.60 2.22 13 0 "[ . 1 . 2]"
12 . 1 11 PRO C 1 12 ARG N 1 12 ARG CA 1 12 ARG C -78.00 -64.00 -66.23 -72.88 -63.01 0.99 16 0 "[ . 1 . 2]"
13 . 1 12 ARG N 1 12 ARG CA 1 12 ARG C 1 13 GLN N -44.00 -26.00 -26.69 -23.88 -24.24 2.12 2 0 "[ . 1 . 2]"
14 . 1 12 ARG C 1 13 GLN N 1 13 GLN CA 1 13 GLN C -114.00 -84.00 -96.11 -91.86 -92.79 . . 0 "[ . 1 . 2]"
15 . 1 13 GLN N 1 13 GLN CA 1 13 GLN C 1 14 ARG N -28.00 20.00 9.49 -5.27 20.77 0.77 16 0 "[ . 1 . 2]"
16 . 1 13 GLN C 1 14 ARG N 1 14 ARG CA 1 14 ARG C -77.00 -47.00 -73.72 -77.59 -64.49 0.59 15 0 "[ . 1 . 2]"
17 . 1 14 ARG N 1 14 ARG CA 1 14 ARG C 1 15 GLY N 126.00 140.00 132.20 129.51 126.83 1.19 8 0 "[ . 1 . 2]"
18 . 1 17 PRO N 1 17 PRO CA 1 17 PRO C 1 18 VAL N -34.00 -8.00 -34.23 -35.60 -35.95 1.95 1 0 "[ . 1 . 2]"
19 . 1 17 PRO C 1 18 VAL N 1 18 VAL CA 1 18 VAL C -78.00 -56.00 -56.85 -56.31 -57.68 1.35 13 0 "[ . 1 . 2]"
20 . 1 18 VAL N 1 18 VAL CA 1 18 VAL C 1 19 LEU N -51.00 -39.00 -48.68 -47.65 -49.36 2.10 17 0 "[ . 1 . 2]"
21 . 1 18 VAL C 1 19 LEU N 1 19 LEU CA 1 19 LEU C -65.00 -57.00 -64.97 -65.95 -63.26 0.95 17 0 "[ . 1 . 2]"
22 . 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 LYS N -48.00 -30.00 -29.28 -29.38 -29.55 2.15 14 0 "[ . 1 . 2]"
23 . 1 19 LEU C 1 20 LYS N 1 20 LYS CA 1 20 LYS C -74.00 -62.00 -63.16 -65.10 -61.41 0.59 5 0 "[ . 1 . 2]"
24 . 1 24 ASN C 1 25 VAL N 1 25 VAL CA 1 25 VAL C -129.00 -83.00 -112.82 -129.71 -93.73 0.71 17 0 "[ . 1 . 2]"
25 . 1 25 VAL N 1 25 VAL CA 1 25 VAL C 1 26 PRO N 129.00 153.00 141.02 136.07 146.40 . . 0 "[ . 1 . 2]"
26 . 1 26 PRO N 1 26 PRO CA 1 26 PRO C 1 27 TRP N 131.00 159.00 136.29 130.24 143.62 0.76 17 0 "[ . 1 . 2]"
27 . 1 26 PRO C 1 27 TRP N 1 27 TRP CA 1 27 TRP C -152.00 -116.00 -149.14 -148.91 -150.05 0.40 15 0 "[ . 1 . 2]"
28 . 1 27 TRP N 1 27 TRP CA 1 27 TRP C 1 28 GLU N 142.00 160.00 153.72 141.85 160.02 0.15 2 0 "[ . 1 . 2]"
29 . 1 27 TRP C 1 28 GLU N 1 28 GLU CA 1 28 GLU C -159.00 -127.00 -154.32 -144.69 -150.27 1.15 5 0 "[ . 1 . 2]"
30 . 1 28 GLU N 1 28 GLU CA 1 28 GLU C 1 29 PHE N 138.00 162.00 160.77 148.64 162.94 0.94 17 0 "[ . 1 . 2]"
31 . 1 28 GLU C 1 29 PHE N 1 29 PHE CA 1 29 PHE C -117.00 -75.00 -91.87 -105.93 -81.46 . . 0 "[ . 1 . 2]"
32 . 1 29 PHE N 1 29 PHE CA 1 29 PHE C 1 30 GLY N 132.00 150.00 138.01 130.62 151.04 1.38 18 0 "[ . 1 . 2]"
33 . 1 31 ASP C 1 32 VAL N 1 32 VAL CA 1 32 VAL C -143.00 -109.00 -116.49 -118.31 -124.03 0.26 7 0 "[ . 1 . 2]"
34 . 1 32 VAL N 1 32 VAL CA 1 32 VAL C 1 33 ILE N 142.00 164.00 165.49 165.50 165.37 2.95 17 0 "[ . 1 . 2]"
35 . 1 36 TYR C 1 37 VAL N 1 37 VAL CA 1 37 VAL C -101.00 -65.00 -99.40 -98.03 -98.60 0.35 16 0 "[ . 1 . 2]"
36 . 1 37 VAL N 1 37 VAL CA 1 37 VAL C 1 38 LEU N 115.00 135.00 130.41 128.46 125.88 1.00 16 0 "[ . 1 . 2]"
37 . 1 39 GLY C 1 40 GLN N 1 40 GLN CA 1 40 GLN C -95.00 -61.00 -71.63 -95.53 -60.12 0.88 8 0 "[ . 1 . 2]"
38 . 1 40 GLN N 1 40 GLN CA 1 40 GLN C 1 41 SER N -38.00 -16.00 -25.62 -15.79 -20.42 1.00 10 0 "[ . 1 . 2]"
39 . 1 41 SER C 1 42 THR N 1 42 THR CA 1 42 THR C -135.00 -103.00 -120.99 -135.17 -106.48 0.17 6 0 "[ . 1 . 2]"
40 . 1 42 THR N 1 42 THR CA 1 42 THR C 1 43 CYS N 120.00 156.00 120.18 118.50 130.86 1.50 9 0 "[ . 1 . 2]"
41 . 1 42 THR C 1 43 CYS N 1 43 CYS CA 1 43 CYS C -146.00 -120.00 -132.56 -130.07 -130.88 . . 0 "[ . 1 . 2]"
42 . 1 43 CYS N 1 43 CYS CA 1 43 CYS C 1 44 ALA N 148.00 166.00 148.46 146.94 153.51 1.06 8 0 "[ . 1 . 2]"
43 . 1 43 CYS C 1 44 ALA N 1 44 ALA CA 1 44 ALA C -133.00 -109.00 -122.10 -126.33 -116.52 . . 0 "[ . 1 . 2]"
44 . 1 44 ALA N 1 44 ALA CA 1 44 ALA C 1 45 LEU N 122.00 154.00 145.77 143.71 143.57 . . 0 "[ . 1 . 2]"
45 . 1 44 ALA C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -146.00 -114.00 -116.55 -121.47 -113.32 0.68 6 0 "[ . 1 . 2]"
46 . 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 PHE N 121.00 145.00 143.00 132.01 146.48 1.48 13 0 "[ . 1 . 2]"
47 . 1 45 LEU C 1 46 PHE N 1 46 PHE CA 1 46 PHE C -128.00 -110.00 -117.26 -111.21 -113.78 0.85 20 0 "[ . 1 . 2]"
48 . 1 46 PHE N 1 46 PHE CA 1 46 PHE C 1 47 LEU N 117.00 139.00 117.73 115.48 132.85 1.52 9 0 "[ . 1 . 2]"
49 . 1 46 PHE C 1 47 LEU N 1 47 LEU CA 1 47 LEU C -143.37 -105.71 -123.15 -120.97 -123.07 . . 0 "[ . 1 . 2]"
50 . 1 47 LEU N 1 47 LEU CA 1 47 LEU C 1 48 SER N 117.01 141.99 115.78 114.60 116.77 2.41 6 0 "[ . 1 . 2]"
51 . 1 47 LEU C 1 48 SER N 1 48 SER CA 1 48 SER C -105.63 -70.01 -79.26 -77.47 -79.00 . . 0 "[ . 1 . 2]"
52 . 1 48 SER N 1 48 SER CA 1 48 SER C 1 49 LEU N 104.57 142.47 128.15 114.66 140.50 . . 0 "[ . 1 . 2]"
53 . 1 48 SER C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -67.56 -56.66 -63.11 -64.56 -65.41 0.70 3 0 "[ . 1 . 2]"
54 . 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 ARG N -39.17 -14.47 -34.84 -31.17 -33.74 1.65 3 0 "[ . 1 . 2]"
55 . 1 49 LEU C 1 50 ARG N 1 50 ARG CA 1 50 ARG C -65.72 -56.70 -63.04 -65.40 -66.06 0.49 19 0 "[ . 1 . 2]"
56 . 1 50 ARG N 1 50 ARG CA 1 50 ARG C 1 51 TYR N -46.47 -31.85 -37.11 -36.34 -37.44 1.31 5 0 "[ . 1 . 2]"
57 . 1 50 ARG C 1 51 TYR N 1 51 TYR CA 1 51 TYR C -67.63 -58.89 -65.81 -68.53 -61.50 0.90 2 0 "[ . 1 . 2]"
58 . 1 51 TYR N 1 51 TYR CA 1 51 TYR C 1 52 HIS N -48.99 -39.79 -39.41 -42.83 -37.59 2.20 17 0 "[ . 1 . 2]"
59 . 1 51 TYR C 1 52 HIS N 1 52 HIS CA 1 52 HIS C -67.00 -57.00 -64.80 -67.43 -60.73 0.43 5 0 "[ . 1 . 2]"
60 . 1 56 PRO N 1 56 PRO CA 1 56 PRO C 1 57 ASP N -30.00 -14.00 -24.91 -24.89 -27.09 1.75 6 0 "[ . 1 . 2]"
61 . 1 57 ASP C 1 58 TYR N 1 58 TYR CA 1 58 TYR C -68.00 -58.00 -59.38 -65.95 -56.85 1.15 1 0 "[ . 1 . 2]"
62 . 1 58 TYR N 1 58 TYR CA 1 58 TYR C 1 59 ILE N -44.00 -18.00 -46.00 -47.37 -44.91 3.37 9 0 "[ . 1 . 2]"
63 . 1 58 TYR C 1 59 ILE N 1 59 ILE CA 1 59 ILE C -73.00 -57.00 -71.41 -72.47 -73.02 0.69 1 0 "[ . 1 . 2]"
64 . 1 59 ILE N 1 59 ILE CA 1 59 ILE C 1 60 HIS N -47.00 -35.00 -35.98 -42.36 -33.88 1.12 10 0 "[ . 1 . 2]"
65 . 1 59 ILE C 1 60 HIS N 1 60 HIS CA 1 60 HIS C -64.00 -54.00 -63.85 -63.57 -63.92 1.16 19 0 "[ . 1 . 2]"
66 . 1 68 LYS C 1 69 ASN N 1 69 ASN CA 1 69 ASN C -92.00 -56.00 -89.23 -93.47 -69.22 1.47 5 0 "[ . 1 . 2]"
67 . 1 69 ASN N 1 69 ASN CA 1 69 ASN C 1 70 PHE N -45.00 7.00 -38.43 -35.65 -38.05 1.66 10 0 "[ . 1 . 2]"
68 . 1 71 ALA C 1 72 LEU N 1 72 LEU CA 1 72 LEU C -125.60 -91.72 -106.43 -124.44 -91.14 0.58 8 0 "[ . 1 . 2]"
69 . 1 72 LEU N 1 72 LEU CA 1 72 LEU C 1 73 ARG N 121.01 151.01 121.78 121.80 120.79 2.84 16 0 "[ . 1 . 2]"
70 . 1 72 LEU C 1 73 ARG N 1 73 ARG CA 1 73 ARG C -122.62 -89.74 -124.37 -125.93 -123.19 3.31 16 0 "[ . 1 . 2]"
71 . 1 73 ARG N 1 73 ARG CA 1 73 ARG C 1 74 VAL N 114.92 146.76 124.32 118.98 115.15 . . 0 "[ . 1 . 2]"
72 . 1 73 ARG C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -129.99 -103.91 -108.08 -105.88 -106.60 0.42 3 0 "[ . 1 . 2]"
73 . 1 74 VAL N 1 74 VAL CA 1 74 VAL C 1 75 LEU N 113.28 143.14 130.38 128.59 127.30 . . 0 "[ . 1 . 2]"
74 . 1 74 VAL C 1 75 LEU N 1 75 LEU CA 1 75 LEU C -129.57 -82.93 -105.19 -102.46 -102.98 . . 0 "[ . 1 . 2]"
75 . 1 75 LEU N 1 75 LEU CA 1 75 LEU C 1 76 LEU N 110.98 132.46 112.95 110.22 118.99 0.76 17 0 "[ . 1 . 2]"
76 . 1 75 LEU C 1 76 LEU N 1 76 LEU CA 1 76 LEU C -114.47 -90.51 -103.05 -107.10 -98.39 . . 0 "[ . 1 . 2]"
77 . 1 76 LEU N 1 76 LEU CA 1 76 LEU C 1 77 VAL N 111.17 131.01 112.72 110.46 115.36 0.71 4 0 "[ . 1 . 2]"
78 . 1 76 LEU C 1 77 VAL N 1 77 VAL CA 1 77 VAL C -131.00 -103.00 -103.30 -105.97 -101.71 1.29 19 0 "[ . 1 . 2]"
79 . 1 77 VAL N 1 77 VAL CA 1 77 VAL C 1 78 GLN N 107.00 169.00 140.92 145.05 143.39 . . 0 "[ . 1 . 2]"
80 . 1 77 VAL C 1 78 GLN N 1 78 GLN CA 1 78 GLN C -141.00 -119.00 -117.50 -118.29 -116.62 2.38 19 0 "[ . 1 . 2]"
81 . 1 78 GLN N 1 78 GLN CA 1 78 GLN C 1 79 VAL N 112.00 132.00 118.97 120.59 120.07 0.39 10 0 "[ . 1 . 2]"
82 . 1 78 GLN C 1 79 VAL N 1 79 VAL CA 1 79 VAL C -94.00 -66.00 -83.49 -94.41 -75.92 0.41 16 0 "[ . 1 . 2]"
83 . 1 79 VAL N 1 79 VAL CA 1 79 VAL C 1 80 ASP N 107.00 143.00 125.03 106.15 143.03 0.85 18 0 "[ . 1 . 2]"
84 . 1 80 ASP C 1 81 VAL N 1 81 VAL CA 1 81 VAL C -145.00 -101.00 -118.76 -134.69 -100.27 0.73 1 0 "[ . 1 . 2]"
85 . 1 81 VAL N 1 81 VAL CA 1 81 VAL C 1 82 LYS N 142.00 166.00 164.68 162.60 161.11 2.79 13 0 "[ . 1 . 2]"
86 . 1 84 PRO C 1 85 GLN N 1 85 GLN CA 1 85 GLN C -63.00 -51.00 -62.08 -63.06 -63.19 1.11 12 0 "[ . 1 . 2]"
87 . 1 85 GLN N 1 85 GLN CA 1 85 GLN C 1 86 GLN N -49.00 -31.00 -32.38 -30.99 -31.75 1.57 10 0 "[ . 1 . 2]"
88 . 1 85 GLN C 1 86 GLN N 1 86 GLN CA 1 86 GLN C -69.53 -58.93 -64.11 -65.74 -67.17 0.66 9 0 "[ . 1 . 2]"
89 . 1 86 GLN N 1 86 GLN CA 1 86 GLN C 1 87 ALA N -48.21 -41.15 -48.45 -50.47 -43.01 2.26 20 0 "[ . 1 . 2]"
90 . 1 86 GLN C 1 87 ALA N 1 87 ALA CA 1 87 ALA C -68.00 -58.00 -68.72 -69.66 -67.75 1.66 18 0 "[ . 1 . 2]"
91 . 1 99 ASP C 1 100 CYS N 1 100 CYS CA 1 100 CYS C -131.29 -87.77 -122.65 -133.16 -91.25 1.87 13 0 "[ . 1 . 2]"
92 . 1 100 CYS N 1 100 CYS CA 1 100 CYS C 1 101 THR N 108.85 153.17 143.20 146.35 145.18 0.97 17 0 "[ . 1 . 2]"
93 . 1 100 CYS C 1 101 THR N 1 101 THR CA 1 101 THR C -137.86 -79.98 -83.26 -93.48 -78.50 1.48 4 0 "[ . 1 . 2]"
94 . 1 101 THR N 1 101 THR CA 1 101 THR C 1 102 LEU N 123.54 136.46 124.05 123.32 123.25 1.58 20 0 "[ . 1 . 2]"
95 . 1 101 THR C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -122.90 -81.36 -94.45 -103.20 -85.13 . . 0 "[ . 1 . 2]"
96 . 1 102 LEU N 1 102 LEU CA 1 102 LEU C 1 103 ILE N 117.45 133.05 124.46 119.03 133.17 0.12 16 0 "[ . 1 . 2]"
97 . 1 102 LEU C 1 103 ILE N 1 103 ILE CA 1 103 ILE C -142.28 -106.86 -119.11 -119.50 -120.40 . . 0 "[ . 1 . 2]"
98 . 1 103 ILE N 1 103 ILE CA 1 103 ILE C 1 104 LEU N 124.81 157.37 130.52 123.49 142.99 1.32 2 0 "[ . 1 . 2]"
99 . 1 103 ILE C 1 104 LEU N 1 104 LEU CA 1 104 LEU C -138.35 -78.89 -108.18 -101.56 -103.73 . . 0 "[ . 1 . 2]"
100 . 1 104 LEU N 1 104 LEU CA 1 104 LEU C 1 105 ALA N 128.77 158.57 131.40 127.90 143.01 0.87 14 0 "[ . 1 . 2]"
101 . 1 104 LEU C 1 105 ALA N 1 105 ALA CA 1 105 ALA C -155.89 -107.37 -120.32 -121.41 -133.78 . . 0 "[ . 1 . 2]"
102 . 1 105 ALA N 1 105 ALA CA 1 105 ALA C 1 106 TRP N 121.05 164.93 133.06 120.27 146.85 0.78 4 0 "[ . 1 . 2]"
103 . 1 108 PRO C 1 109 GLU N 1 109 GLU CA 1 109 GLU C -71.93 -58.83 -65.19 -71.72 -58.74 0.09 17 0 "[ . 1 . 2]"
104 . 1 109 GLU N 1 109 GLU CA 1 109 GLU C 1 110 GLU N -50.33 -36.55 -42.77 -45.54 -50.07 0.65 5 0 "[ . 1 . 2]"
105 . 1 109 GLU C 1 110 GLU N 1 110 GLU CA 1 110 GLU C -67.00 -55.00 -64.94 -67.34 -59.16 0.34 15 0 "[ . 1 . 2]"
106 . 1 120 ALA C 1 121 TYR N 1 121 TYR CA 1 121 TYR C -91.00 -61.00 -90.27 -91.07 -91.22 4.82 4 0 "[ . 1 . 2]"
107 . 1 121 TYR N 1 121 TYR CA 1 121 TYR C 1 122 GLU N -51.00 -1.00 -35.06 -36.46 -42.63 3.78 15 0 "[ . 1 . 2]"
108 . 1 123 GLN C 1 124 LYS N 1 124 LYS CA 1 124 LYS C -112.30 -66.54 -90.47 -113.53 -65.95 1.23 14 0 "[ . 1 . 2]"
109 . 1 124 LYS N 1 124 LYS CA 1 124 LYS C 1 125 PRO N 96.91 163.31 144.99 124.88 162.96 . . 0 "[ . 1 . 2]"
110 . 1 20 LYS N 1 20 LYS CA 1 20 LYS C 1 21 PHE N -35.00 -19.00 -33.66 -37.06 -26.10 2.06 2 0 "[ . 1 . 2]"
111 . 1 20 LYS C 1 21 PHE N 1 21 PHE CA 1 21 PHE C -119.00 -87.00 -112.67 -110.80 -111.81 0.60 5 0 "[ . 1 . 2]"
112 . 1 21 PHE N 1 21 PHE CA 1 21 PHE C 1 22 VAL N -14.00 14.00 1.07 1.48 1.28 . . 0 "[ . 1 . 2]"
113 . 1 52 HIS N 1 52 HIS CA 1 52 HIS C 1 53 ASN N -49.00 -39.00 -39.16 -36.86 -37.18 2.28 2 0 "[ . 1 . 2]"
114 . 1 52 HIS C 1 53 ASN N 1 53 ASN CA 1 53 ASN C -68.00 -60.00 -62.24 -58.68 -59.06 1.96 6 0 "[ . 1 . 2]"
115 . 1 53 ASN C 1 54 LEU N 1 54 LEU CA 1 54 LEU C -84.00 -66.00 -84.16 -86.34 -76.15 2.34 2 0 "[ . 1 . 2]"
116 . 1 54 LEU N 1 54 LEU CA 1 54 LEU C 1 55 HIS N -46.00 -14.00 -45.18 -47.10 -39.65 1.10 2 0 "[ . 1 . 2]"
117 . 1 53 ASN N 1 53 ASN CA 1 53 ASN C 1 54 LEU N -39.00 -31.00 -34.82 -40.21 -28.90 2.10 13 0 "[ . 1 . 2]"
118 . 1 60 HIS N 1 60 HIS CA 1 60 HIS C 1 61 GLY N -46.00 -36.00 -43.21 -46.48 -35.75 0.48 15 0 "[ . 1 . 2]"
119 . 1 60 HIS C 1 61 GLY N 1 61 GLY CA 1 61 GLY C -73.00 -55.00 -62.97 -64.51 -65.82 . . 0 "[ . 1 . 2]"
120 . 1 61 GLY C 1 62 ARG N 1 62 ARG CA 1 62 ARG C -74.00 -60.00 -61.09 -66.19 -59.18 0.82 12 0 "[ . 1 . 2]"
121 . 1 61 GLY N 1 61 GLY CA 1 61 GLY C 1 62 ARG N -48.00 -28.00 -38.10 -43.01 -29.01 . . 0 "[ . 1 . 2]"
122 . 1 62 ARG C 1 63 LEU N 1 63 LEU CA 1 63 LEU C -72.28 -52.82 -66.23 -71.44 -60.20 . . 0 "[ . 1 . 2]"
123 . 1 62 ARG N 1 62 ARG CA 1 62 ARG C 1 63 LEU N -49.00 -25.00 -47.44 -43.72 -45.61 1.93 3 0 "[ . 1 . 2]"
124 . 1 63 LEU C 1 64 GLN N 1 64 GLN CA 1 64 GLN C -74.85 -59.23 -64.26 -69.29 -58.80 0.43 1 0 "[ . 1 . 2]"
125 . 1 63 LEU N 1 63 LEU CA 1 63 LEU C 1 64 GLN N -44.24 -36.40 -42.33 -37.20 -38.93 0.73 7 0 "[ . 1 . 2]"
126 . 1 64 GLN C 1 65 SER N 1 65 SER CA 1 65 SER C -77.00 -59.00 -71.40 -77.43 -63.03 0.43 11 0 "[ . 1 . 2]"
127 . 1 64 GLN N 1 64 GLN CA 1 64 GLN C 1 65 SER N -43.33 -30.67 -36.85 -44.02 -30.85 0.69 12 0 "[ . 1 . 2]"
128 . 1 65 SER C 1 66 LEU N 1 66 LEU CA 1 66 LEU C -94.00 -74.00 -78.09 -94.14 -73.19 0.81 11 0 "[ . 1 . 2]"
129 . 1 65 SER N 1 65 SER CA 1 65 SER C 1 66 LEU N -46.00 -16.00 -37.55 -45.99 -27.01 . . 0 "[ . 1 . 2]"
130 . 1 66 LEU N 1 66 LEU CA 1 66 LEU C 1 67 GLY N -29.00 3.00 -19.96 -10.50 -13.89 0.11 5 0 "[ . 1 . 2]"
131 . 1 87 ALA N 1 87 ALA CA 1 87 ALA C 1 88 LEU N -49.00 -39.00 -41.39 -41.76 -42.19 0.48 9 0 "[ . 1 . 2]"
132 . 1 87 ALA C 1 88 LEU N 1 88 LEU CA 1 88 LEU C -73.00 -59.00 -60.31 -64.81 -58.25 0.75 18 0 "[ . 1 . 2]"
133 . 1 88 LEU C 1 89 LYS N 1 89 LYS CA 1 89 LYS C -72.46 -57.38 -63.91 -68.66 -57.42 . . 0 "[ . 1 . 2]"
134 . 1 88 LEU N 1 88 LEU CA 1 88 LEU C 1 89 LYS N -45.00 -31.00 -35.36 -32.17 -33.56 0.09 7 0 "[ . 1 . 2]"
135 . 1 89 LYS C 1 90 GLU N 1 90 GLU CA 1 90 GLU C -69.62 -57.30 -63.06 -65.58 -67.90 . . 0 "[ . 1 . 2]"
136 . 1 89 LYS N 1 89 LYS CA 1 89 LYS C 1 90 GLU N -51.83 -36.47 -48.75 -51.97 -52.01 0.65 9 0 "[ . 1 . 2]"
137 . 1 90 GLU C 1 91 LEU N 1 91 LEU CA 1 91 LEU C -67.92 -56.70 -63.34 -65.05 -66.01 0.20 18 0 "[ . 1 . 2]"
138 . 1 90 GLU N 1 90 GLU CA 1 90 GLU C 1 91 LEU N -49.79 -35.81 -46.70 -50.86 -36.22 1.07 9 0 "[ . 1 . 2]"
139 . 1 91 LEU C 1 92 ALA N 1 92 ALA CA 1 92 ALA C -74.43 -62.87 -63.99 -64.38 -64.41 0.65 14 0 "[ . 1 . 2]"
140 . 1 91 LEU N 1 91 LEU CA 1 91 LEU C 1 92 ALA N -44.54 -36.38 -39.56 -45.22 -35.58 0.80 18 0 "[ . 1 . 2]"
141 . 1 92 ALA C 1 93 LYS N 1 93 LYS CA 1 93 LYS C -64.53 -60.19 -64.16 -64.96 -65.10 0.99 17 0 "[ . 1 . 2]"
142 . 1 92 ALA N 1 92 ALA CA 1 92 ALA C 1 93 LYS N -45.94 -34.92 -45.67 -46.70 -47.01 1.07 1 0 "[ . 1 . 2]"
143 . 1 93 LYS C 1 94 MET N 1 94 MET CA 1 94 MET C -66.04 -57.26 -62.52 -63.26 -64.93 1.67 15 0 "[ . 1 . 2]"
144 . 1 93 LYS N 1 93 LYS CA 1 93 LYS C 1 94 MET N -46.26 -35.30 -44.38 -47.90 -40.69 1.64 15 0 "[ . 1 . 2]"
145 . 1 94 MET C 1 95 CYS N 1 95 CYS CA 1 95 CYS C -68.98 -55.52 -64.35 -68.54 -59.51 . . 0 "[ . 1 . 2]"
146 . 1 94 MET N 1 94 MET CA 1 94 MET C 1 95 CYS N -49.83 -35.29 -38.50 -46.98 -32.74 2.55 1 0 "[ . 1 . 2]"
147 . 1 95 CYS C 1 96 ILE N 1 96 ILE CA 1 96 ILE C -67.26 -56.00 -65.96 -68.47 -61.84 1.21 18 0 "[ . 1 . 2]"
148 . 1 95 CYS N 1 95 CYS CA 1 95 CYS C 1 96 ILE N -46.71 -36.89 -37.04 -41.74 -35.40 1.49 1 0 "[ . 1 . 2]"
149 . 1 96 ILE C 1 97 LEU N 1 97 LEU CA 1 97 LEU C -70.00 -58.00 -69.74 -70.51 -70.58 0.91 7 0 "[ . 1 . 2]"
150 . 1 96 ILE N 1 96 ILE CA 1 96 ILE C 1 97 LEU N -48.56 -38.76 -46.37 -47.19 -47.40 0.64 9 0 "[ . 1 . 2]"
151 . 1 97 LEU C 1 98 ALA N 1 98 ALA CA 1 98 ALA C -105.00 -81.00 -94.48 -99.50 -87.08 . . 0 "[ . 1 . 2]"
152 . 1 98 ALA N 1 98 ALA CA 1 98 ALA C 1 99 ASP N -23.00 9.00 -2.80 3.87 0.59 0.17 20 0 "[ . 1 . 2]"
153 . 1 97 LEU N 1 97 LEU CA 1 97 LEU C 1 98 ALA N -36.00 -14.00 -34.84 -34.56 -35.33 1.39 19 0 "[ . 1 . 2]"
154 . 1 110 GLU N 1 110 GLU CA 1 110 GLU C 1 111 ALA N -49.00 -29.00 -38.56 -38.68 -38.76 . . 0 "[ . 1 . 2]"
155 . 1 110 GLU C 1 111 ALA N 1 111 ALA CA 1 111 ALA C -68.00 -62.00 -65.24 -65.18 -65.46 0.36 6 0 "[ . 1 . 2]"
156 . 1 111 ALA C 1 112 GLY N 1 112 GLY CA 1 112 GLY C -69.00 -61.00 -63.20 -69.35 -59.46 1.54 16 0 "[ . 1 . 2]"
157 . 1 111 ALA N 1 111 ALA CA 1 111 ALA C 1 112 GLY N -47.00 -39.00 -46.90 -44.62 -46.42 2.34 6 0 "[ . 1 . 2]"
158 . 1 112 GLY C 1 113 ARG N 1 113 ARG CA 1 113 ARG C -72.00 -62.00 -63.53 -66.72 -61.41 0.59 15 0 "[ . 1 . 2]"
159 . 1 112 GLY N 1 112 GLY CA 1 112 GLY C 1 113 ARG N -46.00 -32.00 -46.83 -47.51 -46.23 1.51 3 0 "[ . 1 . 2]"
160 . 1 113 ARG C 1 114 TYR N 1 114 TYR CA 1 114 TYR C -75.00 -61.00 -67.73 -71.71 -63.86 . . 0 "[ . 1 . 2]"
161 . 1 113 ARG N 1 113 ARG CA 1 113 ARG C 1 114 TYR N -48.00 -28.00 -33.34 -31.39 -31.82 . . 0 "[ . 1 . 2]"
162 . 1 114 TYR C 1 115 LEU N 1 115 LEU CA 1 115 LEU C -67.00 -55.00 -63.68 -65.84 -60.19 . . 0 "[ . 1 . 2]"
163 . 1 114 TYR N 1 114 TYR CA 1 114 TYR C 1 115 LEU N -46.00 -36.00 -46.37 -47.59 -40.43 1.59 12 0 "[ . 1 . 2]"
164 . 1 115 LEU C 1 116 GLU N 1 116 GLU CA 1 116 GLU C -79.00 -57.00 -63.78 -69.18 -59.37 . . 0 "[ . 1 . 2]"
165 . 1 115 LEU N 1 115 LEU CA 1 115 LEU C 1 116 GLU N -49.00 -39.00 -42.74 -40.20 -41.20 0.45 16 0 "[ . 1 . 2]"
166 . 1 116 GLU C 1 117 THR N 1 117 THR CA 1 117 THR C -81.00 -59.00 -73.23 -69.49 -69.75 . . 0 "[ . 1 . 2]"
167 . 1 116 GLU N 1 116 GLU CA 1 116 GLU C 1 117 THR N -49.00 -33.00 -47.50 -49.22 -49.34 0.90 3 0 "[ . 1 . 2]"
168 . 1 117 THR C 1 118 TYR N 1 118 TYR CA 1 118 TYR C -81.00 -59.00 -69.71 -65.63 -67.14 0.22 14 0 "[ . 1 . 2]"
169 . 1 117 THR N 1 117 THR CA 1 117 THR C 1 118 TYR N -44.00 -20.00 -28.79 -35.97 -20.05 . . 0 "[ . 1 . 2]"
170 . 1 118 TYR C 1 119 LYS N 1 119 LYS CA 1 119 LYS C -77.00 -57.00 -73.38 -80.07 -63.66 3.07 14 0 "[ . 1 . 2]"
171 . 1 118 TYR N 1 118 TYR CA 1 118 TYR C 1 119 LYS N -47.00 -3.00 -43.66 -45.66 -47.09 1.79 18 0 "[ . 1 . 2]"
172 . 1 119 LYS C 1 120 ALA N 1 120 ALA CA 1 120 ALA C -94.00 -58.00 -73.53 -94.46 -57.45 0.55 12 0 "[ . 1 . 2]"
173 . 1 120 ALA N 1 120 ALA CA 1 120 ALA C 1 121 TYR N -48.00 10.00 -42.37 -52.13 11.41 4.13 4 0 "[ . 1 . 2]"
174 . 1 119 LYS N 1 119 LYS CA 1 119 LYS C 1 120 ALA N -49.00 -25.00 -38.42 -48.25 -24.85 0.15 16 0 "[ . 1 . 2]"
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