NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
376655 |
1fo7   |
4641 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1fo7
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 177
_TA_constraint_stats_list.Viol_count 646
_TA_constraint_stats_list.Viol_total 12965.45
_TA_constraint_stats_list.Viol_max 3.27
_TA_constraint_stats_list.Viol_rms 0.28
_TA_constraint_stats_list.Viol_average_all_restraints 0.08
_TA_constraint_stats_list.Viol_average_violations_only 0.67
_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 40 MET N 1 40 MET CA 1 40 MET CB 1 40 MET CG -90.00 -30.00 -83.15 -90.57 -63.28 0.57 22 0 "[ . 1 . 2 . 3]"
2 . 1 41 LEU N 1 41 LEU CA 1 41 LEU CB 1 41 LEU CG 150.00 -150.00 -149.44 -150.48 -150.98 3.27 27 0 "[ . 1 . 2 . 3]"
3 . 1 43 SER N 1 43 SER CA 1 43 SER CB 1 43 SER OG 30.00 90.00 53.46 43.72 62.27 . . 0 "[ . 1 . 2 . 3]"
4 . 1 46 SER N 1 46 SER CA 1 46 SER CB 1 46 SER OG 30.00 90.00 66.58 29.68 82.56 0.32 6 0 "[ . 1 . 2 . 3]"
5 . 1 49 ILE N 1 49 ILE CA 1 49 ILE CB 1 49 ILE CG1 -90.00 -30.00 -41.97 -40.07 -41.21 . . 0 "[ . 1 . 2 . 3]"
6 . 1 50 ILE N 1 50 ILE CA 1 50 ILE CB 1 50 ILE CG1 -90.00 -30.00 -35.88 -37.35 -37.94 0.38 21 0 "[ . 1 . 2 . 3]"
7 . 1 51 HIS N 1 51 HIS CA 1 51 HIS CB 1 51 HIS CG -90.00 -30.00 -75.28 -68.21 -69.44 . . 0 "[ . 1 . 2 . 3]"
8 . 1 52 PHE N 1 52 PHE CA 1 52 PHE CB 1 52 PHE CG -90.00 -30.00 -44.24 -39.83 -40.04 . . 0 "[ . 1 . 2 . 3]"
9 . 1 54 SER N 1 54 SER CA 1 54 SER CB 1 54 SER OG 30.00 90.00 56.97 51.32 49.29 . . 0 "[ . 1 . 2 . 3]"
10 . 1 56 TYR N 1 56 TYR CA 1 56 TYR CB 1 56 TYR CG 150.00 -150.00 161.08 155.38 168.64 . . 0 "[ . 1 . 2 . 3]"
11 . 1 57 GLU N 1 57 GLU CA 1 57 GLU CB 1 57 GLU CG -90.00 -30.00 -81.84 -82.98 -84.46 0.07 17 0 "[ . 1 . 2 . 3]"
12 . 1 58 ASP N 1 58 ASP CA 1 58 ASP CB 1 58 ASP CG -90.00 -30.00 -84.67 -90.21 -77.24 0.21 20 0 "[ . 1 . 2 . 3]"
13 . 1 60 TYR N 1 60 TYR CA 1 60 TYR CB 1 60 TYR CG 150.00 -150.00 -178.21 179.92 178.62 . . 0 "[ . 1 . 2 . 3]"
14 . 1 61 TYR N 1 61 TYR CA 1 61 TYR CB 1 61 TYR CG 150.00 -150.00 161.41 160.31 160.06 . . 0 "[ . 1 . 2 . 3]"
15 . 1 65 MET N 1 65 MET CA 1 65 MET CB 1 65 MET CG -90.00 -30.00 -54.74 -54.10 -54.29 . . 0 "[ . 1 . 2 . 3]"
16 . 1 66 HIS N 1 66 HIS CA 1 66 HIS CB 1 66 HIS CG -90.00 -30.00 -70.91 -73.83 -75.21 . . 0 "[ . 1 . 2 . 3]"
17 . 1 67 ARG N 1 67 ARG CA 1 67 ARG CB 1 67 ARG CG -90.00 -30.00 -56.03 -53.62 -55.90 . . 0 "[ . 1 . 2 . 3]"
18 . 1 70 ASN N 1 70 ASN CA 1 70 ASN CB 1 70 ASN CG 30.00 90.00 31.39 29.57 35.57 0.43 8 0 "[ . 1 . 2 . 3]"
19 . 1 72 VAL N 1 72 VAL CA 1 72 VAL CB 1 72 VAL CG1 -90.00 -30.00 -67.79 -69.59 -70.09 . . 0 "[ . 1 . 2 . 3]"
20 . 1 73 TYR N 1 73 TYR CA 1 73 TYR CB 1 73 TYR CG -90.00 -30.00 -54.85 -58.08 -51.59 . . 0 "[ . 1 . 2 . 3]"
21 . 1 82 ASN N 1 82 ASN CA 1 82 ASN CB 1 82 ASN CG 150.00 -150.00 -152.70 -178.60 -148.74 1.26 14 0 "[ . 1 . 2 . 3]"
22 . 1 84 ASN N 1 84 ASN CA 1 84 ASN CB 1 84 ASN CG 30.00 90.00 69.35 29.61 90.73 0.73 13 0 "[ . 1 . 2 . 3]"
23 . 1 85 ASN N 1 85 ASN CA 1 85 ASN CB 1 85 ASN CG -90.00 -30.00 -40.62 -88.37 -29.50 0.50 4 0 "[ . 1 . 2 . 3]"
24 . 1 86 PHE N 1 86 PHE CA 1 86 PHE CB 1 86 PHE CG 150.00 -150.00 -168.54 -165.99 -166.56 . . 0 "[ . 1 . 2 . 3]"
25 . 1 89 ASP N 1 89 ASP CA 1 89 ASP CB 1 89 ASP CG 150.00 -150.00 -157.98 166.55 -149.69 0.31 17 0 "[ . 1 . 2 . 3]"
26 . 1 90 CYS N 1 90 CYS CA 1 90 CYS CB 1 90 CYS SG 150.00 -150.00 157.54 160.09 159.45 0.01 11 0 "[ . 1 . 2 . 3]"
27 . 1 91 VAL N 1 91 VAL CA 1 91 VAL CB 1 91 VAL CG1 150.00 -150.00 178.56 174.70 -172.01 . . 0 "[ . 1 . 2 . 3]"
28 . 1 93 ILE N 1 93 ILE CA 1 93 ILE CB 1 93 ILE CG1 -90.00 -30.00 -83.20 -83.05 -85.37 0.33 18 0 "[ . 1 . 2 . 3]"
29 . 1 95 ILE N 1 95 ILE CA 1 95 ILE CB 1 95 ILE CG1 -90.00 -30.00 -82.94 -89.19 -77.39 . . 0 "[ . 1 . 2 . 3]"
30 . 1 98 HIS N 1 98 HIS CA 1 98 HIS CB 1 98 HIS CG -90.00 -30.00 -76.24 -68.85 -73.16 . . 0 "[ . 1 . 2 . 3]"
31 . 1 100 VAL N 1 100 VAL CA 1 100 VAL CB 1 100 VAL CG1 150.00 -150.00 177.97 -178.67 -179.43 . . 0 "[ . 1 . 2 . 3]"
32 . 1 105 LYS N 1 105 LYS CA 1 105 LYS CB 1 105 LYS CG -90.00 -30.00 -83.09 -87.86 -88.11 1.08 30 0 "[ . 1 . 2 . 3]"
33 . 1 113 ASP N 1 113 ASP CA 1 113 ASP CB 1 113 ASP CG -90.00 -30.00 -82.33 -82.26 -83.80 0.47 25 0 "[ . 1 . 2 . 3]"
34 . 1 116 MET N 1 116 MET CA 1 116 MET CB 1 116 MET CG -90.00 -30.00 -34.22 -33.12 -33.54 0.06 29 0 "[ . 1 . 2 . 3]"
35 . 1 117 MET N 1 117 MET CA 1 117 MET CB 1 117 MET CG -90.00 -30.00 -89.51 -89.53 -89.88 0.66 22 0 "[ . 1 . 2 . 3]"
36 . 1 118 GLU N 1 118 GLU CA 1 118 GLU CB 1 118 GLU CG -90.00 -30.00 -87.43 -81.88 -83.21 0.83 18 0 "[ . 1 . 2 . 3]"
37 . 1 119 ARG N 1 119 ARG CA 1 119 ARG CB 1 119 ARG CG -90.00 -30.00 -52.04 -70.22 -42.69 . . 0 "[ . 1 . 2 . 3]"
38 . 1 121 VAL N 1 121 VAL CA 1 121 VAL CB 1 121 VAL CG1 150.00 -150.00 167.36 168.03 167.84 . . 0 "[ . 1 . 2 . 3]"
39 . 1 125 CYS N 1 125 CYS CA 1 125 CYS CB 1 125 CYS SG -90.00 -30.00 -68.43 -77.65 -62.63 . . 0 "[ . 1 . 2 . 3]"
40 . 1 132 GLU N 1 132 GLU CA 1 132 GLU CB 1 132 GLU CG -90.00 -30.00 -85.22 -86.99 -88.02 0.43 29 0 "[ . 1 . 2 . 3]"
41 . 1 136 TYR N 1 136 TYR CA 1 136 TYR CB 1 136 TYR CG 150.00 -150.00 179.95 -174.17 -175.10 . . 0 "[ . 1 . 2 . 3]"
42 . 1 137 TYR N 1 137 TYR CA 1 137 TYR CB 1 137 TYR CG -90.00 -30.00 -90.10 -91.12 -88.52 1.12 26 0 "[ . 1 . 2 . 3]"
43 . 1 138 GLN N 1 138 GLN CA 1 138 GLN CB 1 138 GLN CG 30.00 90.00 70.83 72.27 71.86 . . 0 "[ . 1 . 2 . 3]"
44 . 1 38 GLY C 1 39 TYR N 1 39 TYR CA 1 39 TYR C -155.00 -115.00 -114.65 -115.28 -114.29 0.71 17 0 "[ . 1 . 2 . 3]"
45 . 1 40 MET C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -155.00 -115.00 -114.12 -116.25 -111.89 3.11 27 0 "[ . 1 . 2 . 3]"
46 . 1 54 SER C 1 55 ASP N 1 55 ASP CA 1 55 ASP C -85.00 -45.00 -60.11 -59.91 -59.98 . . 0 "[ . 1 . 2 . 3]"
47 . 1 55 ASP C 1 56 TYR N 1 56 TYR CA 1 56 TYR C -85.00 -45.00 -58.12 -58.00 -58.21 . . 0 "[ . 1 . 2 . 3]"
48 . 1 56 TYR C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -85.00 -45.00 -70.99 -71.14 -71.30 . . 0 "[ . 1 . 2 . 3]"
49 . 1 57 GLU C 1 58 ASP N 1 58 ASP CA 1 58 ASP C -85.00 -45.00 -56.46 -58.58 -55.28 . . 0 "[ . 1 . 2 . 3]"
50 . 1 58 ASP C 1 59 ARG N 1 59 ARG CA 1 59 ARG C -85.00 -45.00 -72.10 -73.52 -70.01 . . 0 "[ . 1 . 2 . 3]"
51 . 1 59 ARG C 1 60 TYR N 1 60 TYR CA 1 60 TYR C -85.00 -45.00 -59.87 -59.49 -60.21 . . 0 "[ . 1 . 2 . 3]"
52 . 1 60 TYR C 1 61 TYR N 1 61 TYR CA 1 61 TYR C -85.00 -45.00 -64.92 -66.88 -63.70 . . 0 "[ . 1 . 2 . 3]"
53 . 1 61 TYR C 1 62 ARG N 1 62 ARG CA 1 62 ARG C -85.00 -45.00 -54.05 -52.86 -53.73 . . 0 "[ . 1 . 2 . 3]"
54 . 1 62 ARG C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -85.00 -45.00 -84.71 -85.45 -85.47 0.80 24 0 "[ . 1 . 2 . 3]"
55 . 1 64 ASN C 1 65 MET N 1 65 MET CA 1 65 MET C -85.00 -45.00 -54.75 -60.47 -52.05 . . 0 "[ . 1 . 2 . 3]"
56 . 1 65 MET C 1 66 HIS N 1 66 HIS CA 1 66 HIS C -85.00 -45.00 -60.26 -60.17 -60.40 . . 0 "[ . 1 . 2 . 3]"
57 . 1 70 ASN C 1 71 GLN N 1 71 GLN CA 1 71 GLN C -155.00 -115.00 -116.35 -121.02 -114.56 0.44 16 0 "[ . 1 . 2 . 3]"
58 . 1 71 GLN C 1 72 VAL N 1 72 VAL CA 1 72 VAL C -155.00 -115.00 -131.94 -130.69 -131.05 . . 0 "[ . 1 . 2 . 3]"
59 . 1 72 VAL C 1 73 TYR N 1 73 TYR CA 1 73 TYR C -155.00 -115.00 -113.79 -113.56 -113.66 1.88 7 0 "[ . 1 . 2 . 3]"
60 . 1 73 TYR C 1 74 TYR N 1 74 TYR CA 1 74 TYR C -155.00 -115.00 -124.86 -117.58 -118.58 . . 0 "[ . 1 . 2 . 3]"
61 . 1 74 TYR C 1 75 ARG N 1 75 ARG CA 1 75 ARG C -155.00 -115.00 -118.84 -131.46 -114.24 0.76 25 0 "[ . 1 . 2 . 3]"
62 . 1 82 ASN C 1 83 GLN N 1 83 GLN CA 1 83 GLN C -85.00 -45.00 -77.53 -85.96 -57.95 0.96 11 0 "[ . 1 . 2 . 3]"
63 . 1 83 GLN C 1 84 ASN N 1 84 ASN CA 1 84 ASN C -85.00 -45.00 -68.99 -65.19 -67.51 0.21 11 0 "[ . 1 . 2 . 3]"
64 . 1 84 ASN C 1 85 ASN N 1 85 ASN CA 1 85 ASN C -85.00 -45.00 -70.62 -69.52 -70.26 . . 0 "[ . 1 . 2 . 3]"
65 . 1 85 ASN C 1 86 PHE N 1 86 PHE CA 1 86 PHE C -85.00 -45.00 -66.57 -79.30 -52.96 . . 0 "[ . 1 . 2 . 3]"
66 . 1 86 PHE C 1 87 VAL N 1 87 VAL CA 1 87 VAL C -85.00 -45.00 -74.41 -85.22 -62.43 0.22 21 0 "[ . 1 . 2 . 3]"
67 . 1 87 VAL C 1 88 HIS N 1 88 HIS CA 1 88 HIS C -85.00 -45.00 -60.32 -69.26 -49.21 . . 0 "[ . 1 . 2 . 3]"
68 . 1 88 HIS C 1 89 ASP N 1 89 ASP CA 1 89 ASP C -85.00 -45.00 -69.18 -82.18 -59.25 . . 0 "[ . 1 . 2 . 3]"
69 . 1 89 ASP C 1 90 CYS N 1 90 CYS CA 1 90 CYS C -85.00 -45.00 -74.19 -80.28 -64.12 . . 0 "[ . 1 . 2 . 3]"
70 . 1 90 CYS C 1 91 VAL N 1 91 VAL CA 1 91 VAL C -85.00 -45.00 -64.74 -64.37 -64.48 . . 0 "[ . 1 . 2 . 3]"
71 . 1 91 VAL C 1 92 ASN N 1 92 ASN CA 1 92 ASN C -85.00 -45.00 -58.13 -60.65 -56.59 . . 0 "[ . 1 . 2 . 3]"
72 . 1 92 ASN C 1 93 ILE N 1 93 ILE CA 1 93 ILE C -85.00 -45.00 -67.82 -64.75 -65.54 . . 0 "[ . 1 . 2 . 3]"
73 . 1 93 ILE C 1 94 THR N 1 94 THR CA 1 94 THR C -85.00 -45.00 -55.31 -54.20 -54.76 . . 0 "[ . 1 . 2 . 3]"
74 . 1 94 THR C 1 95 ILE N 1 95 ILE CA 1 95 ILE C -85.00 -45.00 -70.14 -68.46 -69.03 . . 0 "[ . 1 . 2 . 3]"
75 . 1 95 ILE C 1 96 LYS N 1 96 LYS CA 1 96 LYS C -85.00 -45.00 -65.29 -71.04 -60.89 . . 0 "[ . 1 . 2 . 3]"
76 . 1 96 LYS C 1 97 GLN N 1 97 GLN CA 1 97 GLN C -85.00 -45.00 -84.98 -85.89 -79.86 0.89 17 0 "[ . 1 . 2 . 3]"
77 . 1 97 GLN C 1 98 HIS N 1 98 HIS CA 1 98 HIS C -85.00 -45.00 -68.41 -68.71 -69.08 . . 0 "[ . 1 . 2 . 3]"
78 . 1 98 HIS C 1 99 THR N 1 99 THR CA 1 99 THR C -85.00 -45.00 -60.25 -71.61 -55.35 . . 0 "[ . 1 . 2 . 3]"
79 . 1 99 THR C 1 100 VAL N 1 100 VAL CA 1 100 VAL C -85.00 -45.00 -86.60 -87.29 -86.17 2.29 30 0 "[ . 1 . 2 . 3]"
80 . 1 100 VAL C 1 101 THR N 1 101 THR CA 1 101 THR C -85.00 -45.00 -85.29 -86.56 -80.92 1.56 6 0 "[ . 1 . 2 . 3]"
81 . 1 101 THR C 1 102 THR N 1 102 THR CA 1 102 THR C -85.00 -45.00 -55.12 -58.62 -49.88 . . 0 "[ . 1 . 2 . 3]"
82 . 1 102 THR C 1 103 THR N 1 103 THR CA 1 103 THR C -85.00 -45.00 -70.34 -70.25 -70.33 . . 0 "[ . 1 . 2 . 3]"
83 . 1 110 THR C 1 111 LYS N 1 111 LYS CA 1 111 LYS C -85.00 -45.00 -57.44 -57.15 -57.23 . . 0 "[ . 1 . 2 . 3]"
84 . 1 111 LYS C 1 112 THR N 1 112 THR CA 1 112 THR C -85.00 -45.00 -68.38 -68.25 -68.34 . . 0 "[ . 1 . 2 . 3]"
85 . 1 112 THR C 1 113 ASP N 1 113 ASP CA 1 113 ASP C -85.00 -45.00 -66.94 -67.97 -65.72 . . 0 "[ . 1 . 2 . 3]"
86 . 1 113 ASP C 1 114 VAL N 1 114 VAL CA 1 114 VAL C -85.00 -45.00 -66.67 -68.11 -65.24 . . 0 "[ . 1 . 2 . 3]"
87 . 1 114 VAL C 1 115 LYS N 1 115 LYS CA 1 115 LYS C -85.00 -45.00 -61.70 -61.33 -61.43 . . 0 "[ . 1 . 2 . 3]"
88 . 1 115 LYS C 1 116 MET N 1 116 MET CA 1 116 MET C -85.00 -45.00 -66.14 -66.34 -66.39 . . 0 "[ . 1 . 2 . 3]"
89 . 1 116 MET C 1 117 MET N 1 117 MET CA 1 117 MET C -85.00 -45.00 -57.84 -61.00 -56.25 . . 0 "[ . 1 . 2 . 3]"
90 . 1 117 MET C 1 118 GLU N 1 118 GLU CA 1 118 GLU C -85.00 -45.00 -59.99 -60.80 -58.11 . . 0 "[ . 1 . 2 . 3]"
91 . 1 118 GLU C 1 119 ARG N 1 119 ARG CA 1 119 ARG C -85.00 -45.00 -73.94 -75.45 -72.05 . . 0 "[ . 1 . 2 . 3]"
92 . 1 119 ARG C 1 120 VAL N 1 120 VAL CA 1 120 VAL C -85.00 -45.00 -67.45 -68.56 -65.44 . . 0 "[ . 1 . 2 . 3]"
93 . 1 120 VAL C 1 121 VAL N 1 121 VAL CA 1 121 VAL C -85.00 -45.00 -69.83 -69.46 -69.64 . . 0 "[ . 1 . 2 . 3]"
94 . 1 121 VAL C 1 122 GLU N 1 122 GLU CA 1 122 GLU C -85.00 -45.00 -57.26 -60.66 -54.49 . . 0 "[ . 1 . 2 . 3]"
95 . 1 122 GLU C 1 123 GLN N 1 123 GLN CA 1 123 GLN C -85.00 -45.00 -67.23 -66.96 -67.17 . . 0 "[ . 1 . 2 . 3]"
96 . 1 123 GLN C 1 124 MET N 1 124 MET CA 1 124 MET C -85.00 -45.00 -63.61 -64.69 -62.79 . . 0 "[ . 1 . 2 . 3]"
97 . 1 124 MET C 1 125 CYS N 1 125 CYS CA 1 125 CYS C -85.00 -45.00 -71.18 -70.96 -71.07 . . 0 "[ . 1 . 2 . 3]"
98 . 1 125 CYS C 1 126 ILE N 1 126 ILE CA 1 126 ILE C -85.00 -45.00 -64.30 -60.92 -61.42 . . 0 "[ . 1 . 2 . 3]"
99 . 1 126 ILE C 1 127 THR N 1 127 THR CA 1 127 THR C -85.00 -45.00 -56.33 -58.03 -52.60 . . 0 "[ . 1 . 2 . 3]"
100 . 1 127 THR C 1 128 GLN N 1 128 GLN CA 1 128 GLN C -85.00 -45.00 -66.54 -67.11 -67.58 . . 0 "[ . 1 . 2 . 3]"
101 . 1 128 GLN C 1 129 TYR N 1 129 TYR CA 1 129 TYR C -85.00 -45.00 -58.74 -58.86 -59.24 . . 0 "[ . 1 . 2 . 3]"
102 . 1 129 TYR C 1 130 GLU N 1 130 GLU CA 1 130 GLU C -85.00 -45.00 -72.82 -74.59 -71.59 . . 0 "[ . 1 . 2 . 3]"
103 . 1 130 GLU C 1 131 ARG N 1 131 ARG CA 1 131 ARG C -85.00 -45.00 -68.89 -79.65 -63.49 . . 0 "[ . 1 . 2 . 3]"
104 . 1 131 ARG C 1 132 GLU N 1 132 GLU CA 1 132 GLU C -85.00 -45.00 -82.80 -86.21 -75.69 1.21 18 0 "[ . 1 . 2 . 3]"
105 . 1 132 GLU C 1 133 SER N 1 133 SER CA 1 133 SER C -85.00 -45.00 -71.72 -71.58 -71.73 . . 0 "[ . 1 . 2 . 3]"
106 . 1 133 SER C 1 134 GLN N 1 134 GLN CA 1 134 GLN C -85.00 -45.00 -72.14 -80.19 -64.98 . . 0 "[ . 1 . 2 . 3]"
107 . 1 134 GLN C 1 135 ALA N 1 135 ALA CA 1 135 ALA C -85.00 -45.00 -83.56 -85.80 -73.70 0.80 24 0 "[ . 1 . 2 . 3]"
108 . 1 135 ALA C 1 136 TYR N 1 136 TYR CA 1 136 TYR C -85.00 -45.00 -78.84 -77.51 -78.82 . . 0 "[ . 1 . 2 . 3]"
109 . 1 136 TYR C 1 137 TYR N 1 137 TYR CA 1 137 TYR C -85.00 -45.00 -72.88 -69.34 -71.01 0.29 16 0 "[ . 1 . 2 . 3]"
110 . 1 137 TYR C 1 138 GLN N 1 138 GLN CA 1 138 GLN C -85.00 -45.00 -80.57 -78.67 -79.74 0.68 4 0 "[ . 1 . 2 . 3]"
111 . 1 40 MET N 1 40 MET CA 1 40 MET C 1 41 LEU N 115.00 155.00 156.12 154.43 157.78 2.78 27 0 "[ . 1 . 2 . 3]"
112 . 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 GLY N 115.00 155.00 126.32 116.28 138.20 . . 0 "[ . 1 . 2 . 3]"
113 . 1 55 ASP N 1 55 ASP CA 1 55 ASP C 1 56 TYR N -55.00 -15.00 -29.25 -33.33 -23.78 . . 0 "[ . 1 . 2 . 3]"
114 . 1 56 TYR N 1 56 TYR CA 1 56 TYR C 1 57 GLU N -55.00 -15.00 -56.17 -56.15 -56.21 1.76 8 0 "[ . 1 . 2 . 3]"
115 . 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 ASP N -55.00 -15.00 -35.59 -42.17 -28.99 . . 0 "[ . 1 . 2 . 3]"
116 . 1 58 ASP N 1 58 ASP CA 1 58 ASP C 1 59 ARG N -55.00 -15.00 -50.64 -49.10 -50.38 0.19 30 0 "[ . 1 . 2 . 3]"
117 . 1 59 ARG N 1 59 ARG CA 1 59 ARG C 1 60 TYR N -55.00 -15.00 -32.16 -44.16 -23.21 . . 0 "[ . 1 . 2 . 3]"
118 . 1 60 TYR N 1 60 TYR CA 1 60 TYR C 1 61 TYR N -55.00 -15.00 -55.04 -55.80 -52.33 0.80 14 0 "[ . 1 . 2 . 3]"
119 . 1 61 TYR N 1 61 TYR CA 1 61 TYR C 1 62 ARG N -55.00 -15.00 -46.09 -46.22 -46.56 . . 0 "[ . 1 . 2 . 3]"
120 . 1 62 ARG N 1 62 ARG CA 1 62 ARG C 1 63 GLU N -55.00 -15.00 -35.40 -52.52 -28.02 . . 0 "[ . 1 . 2 . 3]"
121 . 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 ASN N -55.00 -15.00 -16.30 -14.72 -14.81 0.51 19 0 "[ . 1 . 2 . 3]"
122 . 1 65 MET N 1 65 MET CA 1 65 MET C 1 66 HIS N -55.00 -15.00 -37.69 -36.62 -37.22 . . 0 "[ . 1 . 2 . 3]"
123 . 1 66 HIS N 1 66 HIS CA 1 66 HIS C 1 67 ARG N -55.00 -15.00 -32.85 -40.39 -14.09 0.91 19 0 "[ . 1 . 2 . 3]"
124 . 1 71 GLN N 1 71 GLN CA 1 71 GLN C 1 72 VAL N 115.00 155.00 145.83 145.44 145.19 . . 0 "[ . 1 . 2 . 3]"
125 . 1 72 VAL N 1 72 VAL CA 1 72 VAL C 1 73 TYR N 105.00 165.00 166.36 165.66 167.16 2.16 14 0 "[ . 1 . 2 . 3]"
126 . 1 73 TYR N 1 73 TYR CA 1 73 TYR C 1 74 TYR N 115.00 155.00 127.01 120.92 120.39 . . 0 "[ . 1 . 2 . 3]"
127 . 1 74 TYR N 1 74 TYR CA 1 74 TYR C 1 75 ARG N 115.00 155.00 152.46 149.38 148.17 0.51 27 0 "[ . 1 . 2 . 3]"
128 . 1 75 ARG N 1 75 ARG CA 1 75 ARG C 1 76 PRO N 115.00 155.00 155.48 155.01 156.04 1.04 19 0 "[ . 1 . 2 . 3]"
129 . 1 83 GLN N 1 83 GLN CA 1 83 GLN C 1 84 ASN N -55.00 -15.00 -24.49 -52.00 -14.32 0.68 3 0 "[ . 1 . 2 . 3]"
130 . 1 84 ASN N 1 84 ASN CA 1 84 ASN C 1 85 ASN N -55.00 -15.00 -43.79 -55.15 -19.70 0.15 2 0 "[ . 1 . 2 . 3]"
131 . 1 85 ASN N 1 85 ASN CA 1 85 ASN C 1 86 PHE N -55.00 -15.00 -32.33 -31.13 -35.81 . . 0 "[ . 1 . 2 . 3]"
132 . 1 86 PHE N 1 86 PHE CA 1 86 PHE C 1 87 VAL N -55.00 -15.00 -50.93 -55.17 -38.56 0.17 7 0 "[ . 1 . 2 . 3]"
133 . 1 87 VAL N 1 87 VAL CA 1 87 VAL C 1 88 HIS N -55.00 -15.00 -34.29 -28.80 -30.69 . . 0 "[ . 1 . 2 . 3]"
134 . 1 88 HIS N 1 88 HIS CA 1 88 HIS C 1 89 ASP N -55.00 -15.00 -50.69 -53.97 -54.76 0.62 26 0 "[ . 1 . 2 . 3]"
135 . 1 89 ASP N 1 89 ASP CA 1 89 ASP C 1 90 CYS N -55.00 -15.00 -24.83 -21.59 -22.98 . . 0 "[ . 1 . 2 . 3]"
136 . 1 90 CYS N 1 90 CYS CA 1 90 CYS C 1 91 VAL N -55.00 -15.00 -39.10 -46.41 -31.22 . . 0 "[ . 1 . 2 . 3]"
137 . 1 91 VAL N 1 91 VAL CA 1 91 VAL C 1 92 ASN N -55.00 -15.00 -48.88 -46.34 -49.55 0.66 11 0 "[ . 1 . 2 . 3]"
138 . 1 92 ASN N 1 92 ASN CA 1 92 ASN C 1 93 ILE N -55.00 -15.00 -47.72 -55.34 -31.88 0.34 2 0 "[ . 1 . 2 . 3]"
139 . 1 93 ILE N 1 93 ILE CA 1 93 ILE C 1 94 THR N -55.00 -15.00 -44.52 -52.22 -38.08 . . 0 "[ . 1 . 2 . 3]"
140 . 1 94 THR N 1 94 THR CA 1 94 THR C 1 95 ILE N -55.00 -15.00 -51.05 -54.62 -47.16 . . 0 "[ . 1 . 2 . 3]"
141 . 1 95 ILE N 1 95 ILE CA 1 95 ILE C 1 96 LYS N -55.00 -15.00 -41.90 -42.04 -42.36 . . 0 "[ . 1 . 2 . 3]"
142 . 1 96 LYS N 1 96 LYS CA 1 96 LYS C 1 97 GLN N -55.00 -15.00 -21.57 -20.60 -21.07 . . 0 "[ . 1 . 2 . 3]"
143 . 1 97 GLN N 1 97 GLN CA 1 97 GLN C 1 98 HIS N -55.00 -15.00 -49.04 -52.59 -44.81 . . 0 "[ . 1 . 2 . 3]"
144 . 1 98 HIS N 1 98 HIS CA 1 98 HIS C 1 99 THR N -55.00 -15.00 -37.77 -25.50 -31.93 . . 0 "[ . 1 . 2 . 3]"
145 . 1 99 THR N 1 99 THR CA 1 99 THR C 1 100 VAL N -55.00 -15.00 -25.78 -28.83 -23.24 . . 0 "[ . 1 . 2 . 3]"
146 . 1 100 VAL N 1 100 VAL CA 1 100 VAL C 1 101 THR N -55.00 -15.00 -55.35 -56.99 -53.50 1.99 6 0 "[ . 1 . 2 . 3]"
147 . 1 101 THR N 1 101 THR CA 1 101 THR C 1 102 THR N -55.00 -15.00 -53.81 -55.49 -49.66 0.49 20 0 "[ . 1 . 2 . 3]"
148 . 1 102 THR N 1 102 THR CA 1 102 THR C 1 103 THR N -55.00 -15.00 -38.80 -44.16 -32.74 . . 0 "[ . 1 . 2 . 3]"
149 . 1 103 THR N 1 103 THR CA 1 103 THR C 1 104 THR N -55.00 -15.00 -22.69 -32.61 -15.85 . . 0 "[ . 1 . 2 . 3]"
150 . 1 111 LYS N 1 111 LYS CA 1 111 LYS C 1 112 THR N -55.00 -15.00 -45.93 -50.71 -37.54 . . 0 "[ . 1 . 2 . 3]"
151 . 1 112 THR N 1 112 THR CA 1 112 THR C 1 113 ASP N -55.00 -15.00 -30.84 -36.05 -25.74 . . 0 "[ . 1 . 2 . 3]"
152 . 1 113 ASP N 1 113 ASP CA 1 113 ASP C 1 114 VAL N -55.00 -15.00 -47.65 -47.47 -47.59 . . 0 "[ . 1 . 2 . 3]"
153 . 1 114 VAL N 1 114 VAL CA 1 114 VAL C 1 115 LYS N -55.00 -15.00 -27.51 -26.96 -27.28 . . 0 "[ . 1 . 2 . 3]"
154 . 1 115 LYS N 1 115 LYS CA 1 115 LYS C 1 116 MET N -55.00 -15.00 -55.04 -55.63 -55.67 1.10 11 0 "[ . 1 . 2 . 3]"
155 . 1 116 MET N 1 116 MET CA 1 116 MET C 1 117 MET N -55.00 -15.00 -36.17 -36.16 -36.37 . . 0 "[ . 1 . 2 . 3]"
156 . 1 117 MET N 1 117 MET CA 1 117 MET C 1 118 GLU N -55.00 -15.00 -39.95 -42.62 -36.91 . . 0 "[ . 1 . 2 . 3]"
157 . 1 118 GLU N 1 118 GLU CA 1 118 GLU C 1 119 ARG N -55.00 -15.00 -42.04 -42.20 -42.70 . . 0 "[ . 1 . 2 . 3]"
158 . 1 119 ARG N 1 119 ARG CA 1 119 ARG C 1 120 VAL N -55.00 -15.00 -45.52 -44.91 -44.98 . . 0 "[ . 1 . 2 . 3]"
159 . 1 120 VAL N 1 120 VAL CA 1 120 VAL C 1 121 VAL N -55.00 -15.00 -40.02 -42.74 -37.23 . . 0 "[ . 1 . 2 . 3]"
160 . 1 121 VAL N 1 121 VAL CA 1 121 VAL C 1 122 GLU N -55.00 -15.00 -35.78 -33.94 -34.56 . . 0 "[ . 1 . 2 . 3]"
161 . 1 122 GLU N 1 122 GLU CA 1 122 GLU C 1 123 GLN N -55.00 -15.00 -42.29 -43.10 -43.45 . . 0 "[ . 1 . 2 . 3]"
162 . 1 123 GLN N 1 123 GLN CA 1 123 GLN C 1 124 MET N -55.00 -15.00 -44.38 -48.08 -41.39 . . 0 "[ . 1 . 2 . 3]"
163 . 1 124 MET N 1 124 MET CA 1 124 MET C 1 125 CYS N -55.00 -15.00 -27.91 -28.80 -29.08 . . 0 "[ . 1 . 2 . 3]"
164 . 1 125 CYS N 1 125 CYS CA 1 125 CYS C 1 126 ILE N -55.00 -15.00 -37.87 -43.46 -32.36 . . 0 "[ . 1 . 2 . 3]"
165 . 1 126 ILE N 1 126 ILE CA 1 126 ILE C 1 127 THR N -55.00 -15.00 -42.45 -47.28 -37.29 . . 0 "[ . 1 . 2 . 3]"
166 . 1 127 THR N 1 127 THR CA 1 127 THR C 1 128 GLN N -55.00 -15.00 -44.77 -43.13 -43.83 0.10 16 0 "[ . 1 . 2 . 3]"
167 . 1 128 GLN N 1 128 GLN CA 1 128 GLN C 1 129 TYR N -55.00 -15.00 -31.74 -38.98 -23.44 . . 0 "[ . 1 . 2 . 3]"
168 . 1 129 TYR N 1 129 TYR CA 1 129 TYR C 1 130 GLU N -55.00 -15.00 -42.51 -48.50 -38.36 . . 0 "[ . 1 . 2 . 3]"
169 . 1 130 GLU N 1 130 GLU CA 1 130 GLU C 1 131 ARG N -55.00 -15.00 -25.57 -24.00 -25.16 . . 0 "[ . 1 . 2 . 3]"
170 . 1 131 ARG N 1 131 ARG CA 1 131 ARG C 1 132 GLU N -55.00 -15.00 -41.57 -49.88 -29.60 . . 0 "[ . 1 . 2 . 3]"
171 . 1 132 GLU N 1 132 GLU CA 1 132 GLU C 1 133 SER N -55.00 -15.00 -24.34 -22.66 -23.76 . . 0 "[ . 1 . 2 . 3]"
172 . 1 133 SER N 1 133 SER CA 1 133 SER C 1 134 GLN N -55.00 -15.00 -28.43 -23.83 -25.34 . . 0 "[ . 1 . 2 . 3]"
173 . 1 134 GLN N 1 134 GLN CA 1 134 GLN C 1 135 ALA N -55.00 -15.00 -32.84 -40.81 -26.60 . . 0 "[ . 1 . 2 . 3]"
174 . 1 135 ALA N 1 135 ALA CA 1 135 ALA C 1 136 TYR N -55.00 -15.00 -28.66 -34.78 -21.87 . . 0 "[ . 1 . 2 . 3]"
175 . 1 136 TYR N 1 136 TYR CA 1 136 TYR C 1 137 TYR N -55.00 -15.00 -36.38 -48.46 -27.13 . . 0 "[ . 1 . 2 . 3]"
176 . 1 137 TYR N 1 137 TYR CA 1 137 TYR C 1 138 GLN N -55.00 -15.00 -33.73 -39.99 -27.88 . . 0 "[ . 1 . 2 . 3]"
177 . 1 138 GLN N 1 138 GLN CA 1 138 GLN C 1 139 ARG N -55.00 -15.00 -21.83 -31.79 -14.47 0.53 29 0 "[ . 1 . 2 . 3]"
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