NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484784 |
2jqg   |
15278 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2jqg
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 216
_TA_constraint_stats_list.Viol_count 677
_TA_constraint_stats_list.Viol_total 44770.40
_TA_constraint_stats_list.Viol_max 114.55
_TA_constraint_stats_list.Viol_rms 15.14
_TA_constraint_stats_list.Viol_average_all_restraints 8.29
_TA_constraint_stats_list.Viol_average_violations_only 13.23
_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 MET C 1 2 GLU N 1 2 GLU CA 1 2 GLU C -142.00 -94.00 -107.70 -118.89 -93.86 0.14 1 0 "[ .]"
2 . 1 2 GLU N 1 2 GLU CA 1 2 GLU C 1 3 LEU N 111.00 143.00 123.75 114.71 137.39 . . 0 "[ .]"
3 . 1 2 GLU C 1 3 LEU N 1 3 LEU CA 1 3 LEU C -145.00 -97.00 -119.33 -145.63 -94.04 2.96 1 0 "[ .]"
4 . 1 3 LEU N 1 3 LEU CA 1 3 LEU C 1 4 THR N 120.00 158.00 149.38 153.00 135.52 8.81 2 2 "[ + -.]"
5 . 1 3 LEU C 1 4 THR N 1 4 THR CA 1 4 THR C -112.00 -80.00 -107.43 -126.47 -91.58 14.47 2 1 "[ + .]"
6 . 1 4 THR N 1 4 THR CA 1 4 THR C 1 5 LEU N 115.00 139.00 143.08 129.26 156.24 17.24 3 2 "[- + .]"
7 . 1 5 LEU C 1 6 TYR N 1 6 TYR CA 1 6 TYR C -65.00 -57.00 -36.02 -19.58 -33.48 37.42 2 5 [*+-**]
8 . 1 6 TYR N 1 6 TYR CA 1 6 TYR C 1 7 ASN N -34.00 -16.00 -45.04 -56.28 -36.18 22.28 2 3 "[-+* .]"
9 . 1 6 TYR C 1 7 ASN N 1 7 ASN CA 1 7 ASN C -104.00 -80.00 -98.63 -131.84 -75.94 27.84 2 1 "[ + .]"
10 . 1 7 ASN N 1 7 ASN CA 1 7 ASN C 1 8 GLY N -5.00 13.00 45.70 62.41 17.99 53.10 5 3 "[ - *+]"
11 . 1 7 ASN C 1 8 GLY N 1 8 GLY CA 1 8 GLY C 84.00 98.00 112.15 128.33 82.69 43.75 2 4 "[-+ **]"
12 . 1 8 GLY N 1 8 GLY CA 1 8 GLY C 1 9 GLU N -9.00 9.00 17.80 35.25 -5.92 27.80 2 3 "[ + *-]"
13 . 1 8 GLY C 1 9 GLU N 1 9 GLU CA 1 9 GLU C -124.00 -66.00 -34.87 -13.82 -61.18 54.63 5 3 "[ * -+]"
14 . 1 9 GLU N 1 9 GLU CA 1 9 GLU C 1 10 LYS N 118.00 164.00 175.27 -167.21 137.70 45.57 4 3 "[ - +*]"
15 . 1 9 GLU C 1 10 LYS N 1 10 LYS CA 1 10 LYS C -127.00 -77.00 -76.65 -67.33 -100.93 32.02 5 3 "[ - *+]"
16 . 1 10 LYS N 1 10 LYS CA 1 10 LYS C 1 11 LYS N 117.00 149.00 107.99 92.73 113.96 24.27 2 3 "[ + *-]"
17 . 1 10 LYS C 1 11 LYS N 1 11 LYS CA 1 11 LYS C -154.00 -112.00 -130.26 -150.09 -113.21 . . 0 "[ .]"
18 . 1 11 LYS N 1 11 LYS CA 1 11 LYS C 1 12 THR N 123.00 149.00 130.40 117.77 147.18 5.23 3 1 "[ + .]"
19 . 1 11 LYS C 1 12 THR N 1 12 THR CA 1 12 THR C -123.00 -91.00 -88.31 -94.69 -84.26 6.74 5 3 "[- *+]"
20 . 1 12 THR N 1 12 THR CA 1 12 THR C 1 13 PHE N 124.00 138.00 124.36 115.08 133.00 8.92 2 1 "[ + .]"
21 . 1 12 THR C 1 13 PHE N 1 13 PHE CA 1 13 PHE C -139.00 -109.00 -112.20 -100.95 -107.54 10.58 2 3 "[ +- *]"
22 . 1 13 PHE N 1 13 PHE CA 1 13 PHE C 1 14 TYR N 138.00 162.00 162.66 162.83 159.91 7.82 5 1 "[ +]"
23 . 1 13 PHE C 1 14 TYR N 1 14 TYR CA 1 14 TYR C -134.00 -104.00 -98.24 -95.40 -98.94 24.65 3 3 "[-*+ .]"
24 . 1 14 TYR N 1 14 TYR CA 1 14 TYR C 1 15 SER N 118.00 158.00 158.89 158.58 134.10 17.86 3 2 "[ +-.]"
25 . 1 15 SER C 1 16 ARG N 1 16 ARG CA 1 16 ARG C -139.00 -89.00 -98.24 -167.64 -32.87 56.13 3 5 [-*+**]
26 . 1 16 ARG N 1 16 ARG CA 1 16 ARG C 1 17 PRO N 106.00 162.00 153.91 124.16 175.74 13.74 4 2 "[ +-]"
27 . 1 16 ARG C 1 17 PRO N 1 17 PRO CA 1 17 PRO C -88.00 -54.00 -63.45 -69.18 -71.58 1.72 3 0 "[ .]"
28 . 1 17 PRO N 1 17 PRO CA 1 17 PRO C 1 18 ASN N 136.00 160.00 111.44 98.88 126.83 37.12 5 5 [-***+]
29 . 1 18 ASN C 1 19 ASN N 1 19 ASN CA 1 19 ASN C -122.00 -66.00 -130.35 -124.39 -128.43 13.78 4 4 "[* *+-]"
30 . 1 19 ASN N 1 19 ASN CA 1 19 ASN C 1 20 HIS N 101.00 165.00 110.41 80.24 77.23 23.77 1 4 "[+* *-]"
31 . 1 22 ASN C 1 23 ALA N 1 23 ALA CA 1 23 ALA C -64.00 -58.00 -65.61 -64.98 -66.30 4.51 3 0 "[ .]"
32 . 1 23 ALA N 1 23 ALA CA 1 23 ALA C 1 24 TRP N -40.00 -16.00 -41.68 -44.54 -35.80 4.54 4 0 "[ .]"
33 . 1 23 ALA C 1 24 TRP N 1 24 TRP CA 1 24 TRP C -102.00 -66.00 -60.05 -58.01 -59.71 7.99 2 3 "[*+- .]"
34 . 1 24 TRP N 1 24 TRP CA 1 24 TRP C 1 25 LEU N -19.00 21.00 -35.42 -36.63 -33.64 17.63 4 5 [**-+*]
35 . 1 24 TRP C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -99.00 -65.00 -70.86 -79.53 -68.18 . . 0 "[ .]"
36 . 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 ASN N -42.00 18.00 -39.43 -44.73 -34.86 2.73 2 0 "[ .]"
37 . 1 25 LEU C 1 26 ASN N 1 26 ASN CA 1 26 ASN C -65.00 -59.00 -49.12 -43.28 -47.60 15.72 2 4 "[*+ *-]"
38 . 1 26 ASN N 1 26 ASN CA 1 26 ASN C 1 27 ALA N -47.00 -35.00 -28.83 -32.26 -26.98 8.02 4 4 "[* -+*]"
39 . 1 26 ASN C 1 27 ALA N 1 27 ALA CA 1 27 ALA C -65.00 -57.00 -66.34 -64.93 -67.13 2.66 5 0 "[ .]"
40 . 1 27 ALA N 1 27 ALA CA 1 27 ALA C 1 28 ILE N -46.00 -34.00 -65.17 -71.80 -56.98 25.80 5 5 [***-+]
41 . 1 27 ALA C 1 28 ILE N 1 28 ILE CA 1 28 ILE C -68.00 -60.00 -66.09 -84.19 -57.13 16.19 2 1 "[ + .]"
42 . 1 28 ILE N 1 28 ILE CA 1 28 ILE C 1 29 LEU N -52.00 -40.00 -36.86 -42.39 -29.20 10.80 3 2 "[ + -]"
43 . 1 28 ILE C 1 29 LEU N 1 29 LEU CA 1 29 LEU C -63.00 -53.00 -59.73 -52.61 -64.10 5.61 1 1 "[+ .]"
44 . 1 29 LEU N 1 29 LEU CA 1 29 LEU C 1 30 GLN N -49.00 -33.00 -63.27 -66.72 -72.52 23.52 1 5 [+*-**]
45 . 1 29 LEU C 1 30 GLN N 1 30 GLN CA 1 30 GLN C -73.00 -63.00 -61.33 -70.06 -55.03 7.97 3 2 "[- + .]"
46 . 1 30 GLN N 1 30 GLN CA 1 30 GLN C 1 31 LEU N -47.00 -35.00 -30.50 -27.77 -29.26 7.23 2 3 "[-+ *]"
47 . 1 30 GLN C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -67.00 -57.00 -67.05 -55.93 -67.84 3.97 4 0 "[ .]"
48 . 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 PHE N -51.00 -35.00 -40.79 -48.54 -37.26 . . 0 "[ .]"
49 . 1 31 LEU C 1 32 PHE N 1 32 PHE CA 1 32 PHE C -75.00 -59.00 -58.24 -66.48 -50.68 8.32 1 1 "[+ .]"
50 . 1 32 PHE N 1 32 PHE CA 1 32 PHE C 1 33 ARG N -44.00 -16.00 -45.67 -41.18 -45.93 9.02 1 1 "[+ .]"
51 . 1 32 PHE C 1 33 ARG N 1 33 ARG CA 1 33 ARG C -72.00 -58.00 -58.67 -64.88 -55.87 2.13 1 0 "[ .]"
52 . 1 33 ARG N 1 33 ARG CA 1 33 ARG C 1 34 TYR N -49.00 -29.00 -42.83 -41.61 -48.46 5.32 3 1 "[ + .]"
53 . 1 33 ARG C 1 34 TYR N 1 34 TYR CA 1 34 TYR C -82.00 -58.00 -82.92 -86.39 -90.69 10.60 3 2 "[- + .]"
54 . 1 34 TYR N 1 34 TYR CA 1 34 TYR C 1 35 VAL N -45.00 -19.00 -44.61 -42.39 -47.12 9.01 4 1 "[ +.]"
55 . 1 34 TYR C 1 35 VAL N 1 35 VAL CA 1 35 VAL C -114.00 -84.00 -77.02 -73.77 -77.18 13.37 5 4 "[-** +]"
56 . 1 35 VAL N 1 35 VAL CA 1 35 VAL C 1 36 GLU N -12.00 24.00 -15.57 -16.77 -24.79 12.85 3 2 "[- + .]"
57 . 1 36 GLU C 1 37 GLU N 1 37 GLU CA 1 37 GLU C -126.00 -82.00 -102.37 -140.28 -44.28 37.72 1 5 [+-***]
58 . 1 37 GLU N 1 37 GLU CA 1 37 GLU C 1 38 PRO N 104.00 158.00 94.26 89.18 100.92 14.82 4 3 "[ * +-]"
59 . 1 37 GLU C 1 38 PRO N 1 38 PRO CA 1 38 PRO C -71.00 -57.00 -81.01 -79.27 -85.45 15.69 3 4 [*-+*.]
60 . 1 38 PRO N 1 38 PRO CA 1 38 PRO C 1 39 PHE N 127.00 153.00 127.35 83.55 -162.12 44.88 1 5 [+***-]
61 . 1 38 PRO C 1 39 PHE N 1 39 PHE CA 1 39 PHE C -68.00 -46.00 -66.14 -83.35 -41.95 15.35 2 3 "[ + *-]"
62 . 1 39 PHE N 1 39 PHE CA 1 39 PHE C 1 40 PHE N -51.00 -27.00 -21.87 -27.19 -17.98 9.02 1 3 "[+*- .]"
63 . 1 40 PHE C 1 41 ASP N 1 41 ASP CA 1 41 ASP C -68.00 -52.00 -47.52 -46.80 -49.12 13.80 4 3 "[ - +*]"
64 . 1 41 ASP N 1 41 ASP CA 1 41 ASP C 1 42 TRP N -45.00 -15.00 -35.13 -39.37 -30.39 . . 0 "[ .]"
65 . 1 41 ASP C 1 42 TRP N 1 42 TRP CA 1 42 TRP C -73.00 -57.00 -64.17 -69.82 -61.58 . . 0 "[ .]"
66 . 1 42 TRP N 1 42 TRP CA 1 42 TRP C 1 43 VAL N -48.00 -8.00 -33.49 -37.28 -30.44 . . 0 "[ .]"
67 . 1 42 TRP C 1 43 VAL N 1 43 VAL CA 1 43 VAL C -95.00 -53.00 -70.89 -70.34 -70.81 . . 0 "[ .]"
68 . 1 43 VAL N 1 43 VAL CA 1 43 VAL C 1 44 TYR N -53.00 -17.00 -66.29 -75.97 -58.44 22.97 2 5 [*+**-]
69 . 1 43 VAL C 1 44 TYR N 1 44 TYR CA 1 44 TYR C -81.00 -57.00 -74.61 -86.65 -67.89 5.65 2 1 "[ + .]"
70 . 1 44 TYR N 1 44 TYR CA 1 44 TYR C 1 45 SER N -45.00 -33.00 -33.45 -38.80 -30.36 2.64 1 0 "[ .]"
71 . 1 44 TYR C 1 45 SER N 1 45 SER CA 1 45 SER C -95.00 -67.00 -64.49 -71.03 -60.83 6.17 1 1 "[+ .]"
72 . 1 45 SER N 1 45 SER CA 1 45 SER C 1 46 SER N -39.00 11.00 -21.48 -17.33 -19.34 . . 0 "[ .]"
73 . 1 45 SER C 1 46 SER N 1 46 SER CA 1 46 SER C -132.00 -80.00 -89.88 -117.47 -76.62 3.38 3 0 "[ .]"
74 . 1 46 SER N 1 46 SER CA 1 46 SER C 1 47 PRO N 96.00 146.00 131.47 114.41 148.93 2.93 3 0 "[ .]"
75 . 1 50 LEU C 1 51 THR N 1 51 THR CA 1 51 THR C -64.00 -52.00 -63.38 -68.67 -55.48 4.67 2 0 "[ .]"
76 . 1 51 THR N 1 51 THR CA 1 51 THR C 1 52 LEU N -52.00 -30.00 -55.19 -59.25 -52.19 7.25 5 2 "[ - +]"
77 . 1 51 THR C 1 52 LEU N 1 52 LEU CA 1 52 LEU C -68.00 -58.00 -50.09 -50.13 -51.04 8.44 5 5 [-***+]
78 . 1 52 LEU N 1 52 LEU CA 1 52 LEU C 1 53 GLU N -44.00 -32.00 -53.45 -53.12 -59.39 15.39 1 5 [+**-*]
79 . 1 52 LEU C 1 53 GLU N 1 53 GLU CA 1 53 GLU C -72.00 -56.00 -65.66 -69.75 -59.95 . . 0 "[ .]"
80 . 1 53 GLU N 1 53 GLU CA 1 53 GLU C 1 54 ALA N -47.00 -35.00 -29.05 -27.92 -28.00 7.08 2 4 [*+*-.]
81 . 1 53 GLU C 1 54 ALA N 1 54 ALA CA 1 54 ALA C -73.00 -61.00 -63.00 -67.01 -56.29 4.71 1 0 "[ .]"
82 . 1 54 ALA N 1 54 ALA CA 1 54 ALA C 1 55 ILE N -46.00 -32.00 -51.66 -58.31 -46.74 12.31 5 3 "[-* +]"
83 . 1 54 ALA C 1 55 ILE N 1 55 ILE CA 1 55 ILE C -67.00 -59.00 -86.84 -87.76 -85.41 20.76 4 5 [-**+*]
84 . 1 55 ILE N 1 55 ILE CA 1 55 ILE C 1 56 LYS N -55.00 -37.00 -36.80 -33.62 -35.62 3.38 2 0 "[ .]"
85 . 1 55 ILE C 1 56 LYS N 1 56 LYS CA 1 56 LYS C -66.00 -56.00 -49.81 -49.81 -49.82 6.80 5 5 [***-+]
86 . 1 56 LYS N 1 56 LYS CA 1 56 LYS C 1 57 GLN N -45.00 -33.00 -35.49 -36.36 -33.52 . . 0 "[ .]"
87 . 1 56 LYS C 1 57 GLN N 1 57 GLN CA 1 57 GLN C -74.00 -56.00 -71.18 -73.55 -77.15 3.15 1 0 "[ .]"
88 . 1 57 GLN N 1 57 GLN CA 1 57 GLN C 1 58 LEU N -50.00 -36.00 -40.12 -44.57 -36.40 . . 0 "[ .]"
89 . 1 57 GLN C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -69.00 -57.00 -62.86 -67.03 -55.11 1.89 3 0 "[ .]"
90 . 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 GLU N -48.00 -30.00 -37.87 -34.29 -37.84 . . 0 "[ .]"
91 . 1 58 LEU C 1 59 GLU N 1 59 GLU CA 1 59 GLU C -71.00 -61.00 -58.82 -51.63 -56.13 9.37 2 1 "[ + .]"
92 . 1 59 GLU N 1 59 GLU CA 1 59 GLU C 1 60 ASP N -52.00 -32.00 -37.05 -42.06 -31.73 0.27 1 0 "[ .]"
93 . 1 59 GLU C 1 60 ASP N 1 60 ASP CA 1 60 ASP C -71.00 -53.00 -59.89 -63.80 -55.14 . . 0 "[ .]"
94 . 1 60 ASP N 1 60 ASP CA 1 60 ASP C 1 61 LEU N -49.00 -33.00 -32.51 -36.03 -30.36 2.64 5 0 "[ .]"
95 . 1 60 ASP C 1 61 LEU N 1 61 LEU CA 1 61 LEU C -91.00 -67.00 -96.25 -102.61 -91.10 11.61 3 2 "[ -+ .]"
96 . 1 61 LEU N 1 61 LEU CA 1 61 LEU C 1 62 THR N -45.00 -19.00 -51.07 -53.68 -48.89 8.68 5 3 "[ * -+]"
97 . 1 61 LEU C 1 62 THR N 1 62 THR CA 1 62 THR C -126.00 -88.00 -76.19 -70.72 -74.89 17.28 2 5 [*+**-]
98 . 1 62 THR N 1 62 THR CA 1 62 THR C 1 63 GLY N -28.00 2.00 -26.76 -31.58 -24.06 3.58 5 0 "[ .]"
99 . 1 62 THR C 1 63 GLY N 1 63 GLY CA 1 63 GLY C 71.00 97.00 67.20 61.83 73.12 9.17 2 2 "[ + -]"
100 . 1 63 GLY N 1 63 GLY CA 1 63 GLY C 1 64 LEU N -8.00 16.00 25.61 21.89 30.04 14.04 5 5 [*-**+]
101 . 1 66 LEU C 1 67 HIS N 1 67 HIS CA 1 67 HIS C -74.00 -46.00 -42.38 -39.31 -42.39 6.69 2 1 "[ + .]"
102 . 1 67 HIS N 1 67 HIS CA 1 67 HIS C 1 68 GLU N -43.00 -21.00 -31.63 -37.06 -28.35 . . 0 "[ .]"
103 . 1 71 PRO C 1 72 PRO N 1 72 PRO CA 1 72 PRO C -62.00 -52.00 -60.75 -64.71 -57.22 2.71 2 0 "[ .]"
104 . 1 72 PRO N 1 72 PRO CA 1 72 PRO C 1 73 ALA N -40.00 -22.00 -24.03 -34.35 -16.97 5.03 1 1 "[+ .]"
105 . 1 72 PRO C 1 73 ALA N 1 73 ALA CA 1 73 ALA C -75.00 -59.00 -35.98 -57.60 -29.35 29.65 3 4 "[* +*-]"
106 . 1 73 ALA N 1 73 ALA CA 1 73 ALA C 1 74 LEU N -45.00 -21.00 46.17 -39.73 61.82 82.82 1 4 "[+ **-]"
107 . 1 73 ALA C 1 74 LEU N 1 74 LEU CA 1 74 LEU C -72.00 -54.00 23.81 -56.08 41.00 95.00 4 4 "[* -+*]"
108 . 1 74 LEU N 1 74 LEU CA 1 74 LEU C 1 75 VAL N -50.00 -36.00 -7.04 -31.75 3.27 39.27 5 4 "[* -*+]"
109 . 1 74 LEU C 1 75 VAL N 1 75 VAL CA 1 75 VAL C -75.00 -59.00 -57.12 -61.74 -52.68 6.32 1 1 "[+ .]"
110 . 1 75 VAL N 1 75 VAL CA 1 75 VAL C 1 76 ILE N -51.00 -41.00 -45.15 -52.86 -39.60 1.86 2 0 "[ .]"
111 . 1 75 VAL C 1 76 ILE N 1 76 ILE CA 1 76 ILE C -68.00 -56.00 -71.49 -68.34 -75.56 16.14 3 2 "[- + .]"
112 . 1 76 ILE N 1 76 ILE CA 1 76 ILE C 1 77 TRP N -52.00 -40.00 -36.79 -34.53 -36.09 5.47 2 1 "[ + .]"
113 . 1 76 ILE C 1 77 TRP N 1 77 TRP CA 1 77 TRP C -75.00 -55.00 -62.40 -60.70 -63.02 . . 0 "[ .]"
114 . 1 77 TRP N 1 77 TRP CA 1 77 TRP C 1 78 ASN N -44.00 -32.00 -42.09 -38.97 -43.00 2.90 5 0 "[ .]"
115 . 1 77 TRP C 1 78 ASN N 1 78 ASN CA 1 78 ASN C -78.00 -56.00 -81.34 -84.88 -76.32 6.88 3 2 "[ +-.]"
116 . 1 78 ASN N 1 78 ASN CA 1 78 ASN C 1 79 ILE N -41.00 -29.00 -27.48 -34.56 -22.53 6.47 3 2 "[ +-.]"
117 . 1 78 ASN C 1 79 ILE N 1 79 ILE CA 1 79 ILE C -123.00 -75.00 -78.10 -92.76 -67.48 7.52 3 1 "[ + .]"
118 . 1 79 ILE N 1 79 ILE CA 1 79 ILE C 1 80 LYS N -28.00 0.00 4.30 22.88 16.69 22.88 2 3 "[*+ -]"
119 . 1 79 ILE C 1 80 LYS N 1 80 LYS CA 1 80 LYS C -79.00 -53.00 -32.37 -29.58 -30.49 23.42 2 5 [*+**-]
120 . 1 80 LYS N 1 80 LYS CA 1 80 LYS C 1 81 HIS N -47.00 -21.00 -56.40 -59.73 -52.22 12.73 3 5 [-*+**]
121 . 1 80 LYS C 1 81 HIS N 1 81 HIS CA 1 81 HIS C -82.00 -60.00 -67.48 -84.00 -57.50 2.50 1 0 "[ .]"
122 . 1 81 HIS N 1 81 HIS CA 1 81 HIS C 1 82 LEU N -37.00 -15.00 -14.45 -14.39 -26.98 7.33 3 2 "[ +-.]"
123 . 1 81 HIS C 1 82 LEU N 1 82 LEU CA 1 82 LEU C -95.00 -65.00 -101.81 -111.11 -84.26 16.11 2 4 "[-+ **]"
124 . 1 82 LEU N 1 82 LEU CA 1 82 LEU C 1 83 LEU N -30.00 10.00 -27.14 -16.82 -30.85 10.89 5 2 "[- +]"
125 . 1 83 LEU C 1 84 HIS N 1 84 HIS CA 1 84 HIS C -111.00 -61.00 -55.21 -117.14 -13.62 47.38 1 4 "[+*- *]"
126 . 1 84 HIS N 1 84 HIS CA 1 84 HIS C 1 85 THR N 126.00 154.00 73.25 81.14 76.91 65.87 3 5 [*-+**]
127 . 1 85 THR C 1 86 GLY N 1 86 GLY CA 1 86 GLY C -119.00 -77.00 -83.14 -68.10 -68.66 15.92 5 3 "[-* +]"
128 . 1 86 GLY N 1 86 GLY CA 1 86 GLY C 1 87 ILE N 111.00 133.00 97.74 82.15 105.80 28.85 5 5 [-***+]
129 . 1 86 GLY C 1 87 ILE N 1 87 ILE CA 1 87 ILE C -111.00 -95.00 -106.66 -126.33 -90.90 15.33 5 1 "[ +]"
130 . 1 87 ILE N 1 87 ILE CA 1 87 ILE C 1 88 GLY N 109.00 139.00 147.65 144.75 143.55 23.14 5 3 "[ * -+]"
131 . 1 88 GLY C 1 89 THR N 1 89 THR CA 1 89 THR C -130.00 -74.00 -132.55 -178.94 -72.74 48.94 4 2 "[ - +.]"
132 . 1 89 THR N 1 89 THR CA 1 89 THR C 1 90 ALA N 165.00 179.00 171.71 174.50 165.08 15.79 5 3 "[ -*+]"
133 . 1 89 THR C 1 90 ALA N 1 90 ALA CA 1 90 ALA C -70.00 -56.00 -60.83 -66.84 -53.21 2.79 1 0 "[ .]"
134 . 1 90 ALA N 1 90 ALA CA 1 90 ALA C 1 91 SER N -41.00 -21.00 -34.41 -29.45 -36.35 2.62 4 0 "[ .]"
135 . 1 90 ALA C 1 91 SER N 1 91 SER CA 1 91 SER C -91.00 -65.00 -76.01 -97.38 -64.59 6.38 5 1 "[ +]"
136 . 1 91 SER N 1 91 SER CA 1 91 SER C 1 92 ARG N -38.00 -8.00 -33.18 -33.19 -36.28 . . 0 "[ .]"
137 . 1 94 SER C 1 95 GLU N 1 95 GLU CA 1 95 GLU C -82.00 -54.00 -66.25 -103.80 -55.01 21.80 5 1 "[ +]"
138 . 1 95 GLU N 1 95 GLU CA 1 95 GLU C 1 96 VAL N -36.00 -22.00 -38.51 -44.74 -19.18 8.74 2 4 [-+**.]
139 . 1 95 GLU C 1 96 VAL N 1 96 VAL CA 1 96 VAL C -147.00 -117.00 -135.16 -120.25 -129.07 14.93 5 1 "[ +]"
140 . 1 96 VAL N 1 96 VAL CA 1 96 VAL C 1 97 CYS N 142.00 164.00 147.67 122.00 -157.48 38.52 5 3 "[ -*+]"
141 . 1 96 VAL C 1 97 CYS N 1 97 CYS CA 1 97 CYS C -149.00 -109.00 -134.51 -123.05 -127.74 58.26 4 2 "[ +-]"
142 . 1 97 CYS N 1 97 CYS CA 1 97 CYS C 1 98 VAL N 140.00 168.00 141.30 135.22 159.35 4.78 2 0 "[ .]"
143 . 1 97 CYS C 1 98 VAL N 1 98 VAL CA 1 98 VAL C -156.00 -94.00 -101.80 -82.53 -85.20 20.55 4 4 [-**+.]
144 . 1 98 VAL N 1 98 VAL CA 1 98 VAL C 1 99 VAL N 146.00 168.00 -179.00 154.22 -163.94 28.06 1 4 [+*-*.]
145 . 1 101 GLY C 1 102 THR N 1 102 THR CA 1 102 THR C -109.00 -75.00 -113.02 -116.53 -127.93 18.93 1 2 "[+ -.]"
146 . 1 102 THR N 1 102 THR CA 1 102 THR C 1 103 ASP N 117.00 141.00 154.60 146.71 167.33 26.33 1 5 [+*-**]
147 . 1 103 ASP C 1 104 MET N 1 104 MET CA 1 104 MET C -122.00 -86.00 -103.12 -90.40 -123.81 5.88 1 1 "[+ .]"
148 . 1 104 MET N 1 104 MET CA 1 104 MET C 1 105 CYS N 109.00 165.00 159.42 174.19 167.00 12.50 2 2 "[ + -]"
149 . 1 104 MET C 1 105 CYS N 1 105 CYS CA 1 105 CYS C -152.00 -92.00 -126.41 -100.87 -137.30 5.31 3 1 "[ + .]"
150 . 1 105 CYS N 1 105 CYS CA 1 105 CYS C 1 106 LEU N 148.00 -174.00 179.26 134.64 -165.32 13.36 4 2 "[ -+.]"
151 . 1 106 LEU C 1 107 ALA N 1 107 ALA CA 1 107 ALA C -91.00 -55.00 -61.65 -62.30 -70.57 6.23 3 1 "[ + .]"
152 . 1 107 ALA N 1 107 ALA CA 1 107 ALA C 1 108 ASP N -41.00 -3.00 -16.82 0.52 -19.96 6.41 2 1 "[ + .]"
153 . 1 108 ASP C 1 109 PHE N 1 109 PHE CA 1 109 PHE C -165.00 -121.00 -144.55 -102.47 -142.38 18.53 2 2 "[ +- .]"
154 . 1 109 PHE N 1 109 PHE CA 1 109 PHE C 1 110 HIS N 147.00 167.00 160.13 178.23 168.69 45.30 3 3 "[ *+-.]"
155 . 1 109 PHE C 1 110 HIS N 1 110 HIS CA 1 110 HIS C -140.00 -114.00 -146.88 -163.32 -134.80 23.32 3 2 "[ -+ .]"
156 . 1 110 HIS N 1 110 HIS CA 1 110 HIS C 1 111 ALA N 128.00 158.00 83.59 72.66 63.58 64.42 1 5 [+-***]
157 . 1 110 HIS C 1 111 ALA N 1 111 ALA CA 1 111 ALA C -151.00 -99.00 -173.92 171.81 166.52 42.48 1 4 "[+- **]"
158 . 1 111 ALA N 1 111 ALA CA 1 111 ALA C 1 112 GLY N 147.00 165.00 164.44 153.37 179.69 14.69 3 1 "[ + .]"
159 . 1 112 GLY C 1 113 ILE N 1 113 ILE CA 1 113 ILE C -134.00 -110.00 -106.05 -108.35 -112.05 11.20 4 2 "[ +-]"
160 . 1 113 ILE N 1 113 ILE CA 1 113 ILE C 1 114 PHE N 123.00 147.00 121.52 115.69 128.91 7.31 3 1 "[ + .]"
161 . 1 113 ILE C 1 114 PHE N 1 114 PHE CA 1 114 PHE C -143.00 -123.00 -111.81 -114.82 -109.28 13.72 1 5 [+*-**]
162 . 1 114 PHE N 1 114 PHE CA 1 114 PHE C 1 115 LEU N 138.00 170.00 144.53 140.01 134.94 3.06 1 0 "[ .]"
163 . 1 114 PHE C 1 115 LEU N 1 115 LEU CA 1 115 LEU C -101.00 -73.00 -95.92 -102.80 -85.72 1.80 3 0 "[ .]"
164 . 1 115 LEU N 1 115 LEU CA 1 115 LEU C 1 116 LYS N 104.00 136.00 116.71 119.36 109.38 2.77 1 0 "[ .]"
165 . 1 115 LEU C 1 116 LYS N 1 116 LYS CA 1 116 LYS C -107.00 -55.00 -104.22 -109.12 -93.55 2.12 3 0 "[ .]"
166 . 1 116 LYS N 1 116 LYS CA 1 116 LYS C 1 117 GLY N 116.00 142.00 120.40 113.54 124.53 2.46 5 0 "[ .]"
167 . 1 119 GLU C 1 120 HIS N 1 120 HIS CA 1 120 HIS C -138.00 -96.00 -142.88 -138.99 -141.41 8.47 3 2 "[ + -]"
168 . 1 120 HIS N 1 120 HIS CA 1 120 HIS C 1 121 ALA N 117.00 137.00 124.94 125.23 123.61 . . 0 "[ .]"
169 . 1 120 HIS C 1 121 ALA N 1 121 ALA CA 1 121 ALA C -125.00 -85.00 -105.27 -112.43 -94.47 . . 0 "[ .]"
170 . 1 121 ALA N 1 121 ALA CA 1 121 ALA C 1 122 VAL N 115.00 145.00 130.65 142.91 139.26 . . 0 "[ .]"
171 . 1 121 ALA C 1 122 VAL N 1 122 VAL CA 1 122 VAL C -157.00 -121.00 -134.49 -142.15 -127.90 . . 0 "[ .]"
172 . 1 122 VAL N 1 122 VAL CA 1 122 VAL C 1 123 PHE N 153.00 169.00 157.28 165.72 153.27 5.37 3 1 "[ + .]"
173 . 1 122 VAL C 1 123 PHE N 1 123 PHE CA 1 123 PHE C -147.00 -115.00 -146.34 -150.35 -136.11 3.35 2 0 "[ .]"
174 . 1 123 PHE N 1 123 PHE CA 1 123 PHE C 1 124 ALA N 125.00 153.00 126.61 121.68 131.78 3.32 2 0 "[ .]"
175 . 1 123 PHE C 1 124 ALA N 1 124 ALA CA 1 124 ALA C -143.00 -115.00 -117.26 -132.81 -110.56 4.44 5 0 "[ .]"
176 . 1 124 ALA N 1 124 ALA CA 1 124 ALA C 1 125 CYS N 136.00 154.00 168.36 164.29 171.93 17.93 1 5 [+**-*]
177 . 1 124 ALA C 1 125 CYS N 1 125 CYS CA 1 125 CYS C -145.00 -129.00 -169.02 -176.29 -163.37 31.29 4 5 [**-+*]
178 . 1 125 CYS N 1 125 CYS CA 1 125 CYS C 1 126 VAL N 139.00 161.00 144.68 144.82 136.05 15.39 4 2 "[ -+.]"
179 . 1 125 CYS C 1 126 VAL N 1 126 VAL CA 1 126 VAL C -97.00 -71.00 -55.98 -55.55 -56.50 20.09 3 5 [**+-*]
180 . 1 126 VAL N 1 126 VAL CA 1 126 VAL C 1 127 THR N 112.00 154.00 111.16 117.68 109.11 9.19 5 2 "[ -+]"
181 . 1 130 GLY C 1 131 TRP N 1 131 TRP CA 1 131 TRP C -82.00 -58.00 -62.73 -82.34 -55.58 2.42 5 0 "[ .]"
182 . 1 131 TRP N 1 131 TRP CA 1 131 TRP C 1 132 TYR N 123.00 149.00 94.19 82.17 101.58 40.83 2 5 [-+***]
183 . 1 132 TYR C 1 133 ALA N 1 133 ALA CA 1 133 ALA C -164.00 -110.00 -131.24 -158.07 -106.27 3.73 1 0 "[ .]"
184 . 1 133 ALA N 1 133 ALA CA 1 133 ALA C 1 134 ILE N 135.00 167.00 135.18 113.23 147.99 21.77 2 1 "[ + .]"
185 . 1 133 ALA C 1 134 ILE N 1 134 ILE CA 1 134 ILE C -115.00 -77.00 -98.25 -75.79 -102.66 7.53 4 1 "[ +.]"
186 . 1 134 ILE N 1 134 ILE CA 1 134 ILE C 1 135 ASP N 112.00 132.00 89.24 83.69 92.46 28.31 2 5 [*+*-*]
187 . 1 134 ILE C 1 135 ASP N 1 135 ASP CA 1 135 ASP C -127.00 -85.00 -88.53 -83.00 -88.58 4.99 2 0 "[ .]"
188 . 1 135 ASP N 1 135 ASP CA 1 135 ASP C 1 136 ASP N 131.00 -177.00 125.11 129.00 122.83 10.74 3 3 "[* + -]"
189 . 1 137 GLU C 1 138 ASP N 1 138 ASP CA 1 138 ASP C -159.00 -109.00 -144.78 -109.44 -167.26 13.50 3 4 "[* +*-]"
190 . 1 138 ASP N 1 138 ASP CA 1 138 ASP C 1 139 PHE N 132.00 160.00 159.85 134.29 177.90 17.90 3 2 "[- + .]"
191 . 1 138 ASP C 1 139 PHE N 1 139 PHE CA 1 139 PHE C -131.00 -95.00 -105.07 -124.70 -93.52 1.48 3 0 "[ .]"
192 . 1 139 PHE N 1 139 PHE CA 1 139 PHE C 1 140 TYR N 124.00 154.00 126.52 130.39 129.35 2.34 5 0 "[ .]"
193 . 1 140 TYR C 1 141 PRO N 1 141 PRO CA 1 141 PRO C -102.00 -44.00 -69.50 -72.89 -66.62 . . 0 "[ .]"
194 . 1 141 PRO N 1 141 PRO CA 1 141 PRO C 1 142 TRP N 124.00 152.00 111.55 107.70 114.71 16.30 2 5 [*+**-]
195 . 1 141 PRO C 1 142 TRP N 1 142 TRP CA 1 142 TRP C -133.00 -93.00 -132.16 -135.30 -138.90 9.47 4 2 "[- +.]"
196 . 1 142 TRP N 1 142 TRP CA 1 142 TRP C 1 143 THR N 116.00 132.00 164.91 18.28 -129.24 98.76 3 5 [**+*-]
197 . 1 142 TRP C 1 143 THR N 1 143 THR CA 1 143 THR C -136.00 -108.00 -100.20 167.43 -32.22 75.78 3 5 [-*+**]
198 . 1 143 THR N 1 143 THR CA 1 143 THR C 1 144 PRO N 106.00 156.00 115.24 97.74 151.23 8.26 3 2 "[ +-.]"
199 . 1 144 PRO C 1 145 ASP N 1 145 ASP CA 1 145 ASP C -130.00 -78.00 -113.42 -148.15 -76.77 18.15 3 2 "[ -+ .]"
200 . 1 145 ASP N 1 145 ASP CA 1 145 ASP C 1 146 PRO N 125.00 175.00 166.70 170.43 153.27 11.90 2 2 "[ + -.]"
201 . 1 146 PRO C 1 147 SER N 1 147 SER CA 1 147 SER C -75.00 -57.00 -71.77 -63.30 -69.89 7.15 3 2 "[ + -]"
202 . 1 147 SER N 1 147 SER CA 1 147 SER C 1 148 ASP N -44.00 -10.00 -44.09 -43.45 -48.30 7.19 4 1 "[ +.]"
203 . 1 147 SER C 1 148 ASP N 1 148 ASP CA 1 148 ASP C -115.00 -83.00 -126.42 -123.09 -125.41 16.86 4 5 [*-*+*]
204 . 1 148 ASP N 1 148 ASP CA 1 148 ASP C 1 149 VAL N -13.00 17.00 7.19 0.82 13.99 . . 0 "[ .]"
205 . 1 148 ASP C 1 149 VAL N 1 149 VAL CA 1 149 VAL C -151.00 -85.00 -108.18 -112.31 -121.48 . . 0 "[ .]"
206 . 1 149 VAL N 1 149 VAL CA 1 149 VAL C 1 150 LEU N 134.00 166.00 159.43 157.07 153.93 3.37 5 0 "[ .]"
207 . 1 149 VAL C 1 150 LEU N 1 150 LEU CA 1 150 LEU C -128.00 -102.00 -124.50 -133.05 -100.59 5.05 3 1 "[ + .]"
208 . 1 150 LEU N 1 150 LEU CA 1 150 LEU C 1 151 VAL N 134.00 154.00 2.06 -95.12 46.60 114.55 5 5 [-***+]
209 . 1 150 LEU C 1 151 VAL N 1 151 VAL CA 1 151 VAL C -142.00 -120.00 -137.28 -165.63 -176.43 47.57 5 5 [*-**+]
210 . 1 151 VAL N 1 151 VAL CA 1 151 VAL C 1 152 PHE N 137.00 161.00 128.96 129.13 124.17 12.84 5 4 "[**- +]"
211 . 1 151 VAL C 1 152 PHE N 1 152 PHE CA 1 152 PHE C -139.00 -123.00 -130.72 -136.72 -125.12 . . 0 "[ .]"
212 . 1 152 PHE N 1 152 PHE CA 1 152 PHE C 1 153 VAL N 123.00 143.00 177.10 178.14 168.17 38.19 4 5 [-**+*]
213 . 1 152 PHE C 1 153 VAL N 1 153 VAL CA 1 153 VAL C -143.00 -101.00 -123.64 -112.21 -121.64 . . 0 "[ .]"
214 . 1 153 VAL N 1 153 VAL CA 1 153 VAL C 1 154 PRO N 93.00 153.00 118.67 137.98 127.24 . . 0 "[ .]"
215 . 1 164 TRP C 1 165 LYS N 1 165 LYS CA 1 165 LYS C -147.00 -81.00 -103.20 -131.73 -80.56 0.44 1 0 "[ .]"
216 . 1 165 LYS N 1 165 LYS CA 1 165 LYS C 1 166 ALA N 92.00 170.00 129.24 110.05 135.23 . . 0 "[ .]"
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