NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
611731 |
2nan   |
25802 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2nan
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 228
_TA_constraint_stats_list.Viol_count 413
_TA_constraint_stats_list.Viol_total 5144.70
_TA_constraint_stats_list.Viol_max 4.78
_TA_constraint_stats_list.Viol_rms 0.67
_TA_constraint_stats_list.Viol_average_all_restraints 0.23
_TA_constraint_stats_list.Viol_average_violations_only 1.25
_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 ASP C 1 3 CYS N 1 3 CYS CA 1 3 CYS C -98.10 -40.48 -95.30 -98.98 -80.69 0.88 4 0 "[ . 1]"
2 . 1 3 CYS C 1 4 PRO N 1 4 PRO CA 1 4 PRO C -81.70 -41.70 -53.27 -54.24 -55.68 . . 0 "[ . 1]"
3 . 1 4 PRO C 1 5 SER N 1 5 SER CA 1 5 SER C -176.33 -126.79 -141.32 -155.45 -132.53 . . 0 "[ . 1]"
4 . 1 5 SER C 1 6 SER N 1 6 SER CA 1 6 SER C -100.32 -40.32 -75.33 -79.40 -62.25 . . 0 "[ . 1]"
5 . 1 6 SER C 1 7 THR N 1 7 THR CA 1 7 THR C -115.69 -67.09 -74.24 -80.14 -80.46 0.34 6 0 "[ . 1]"
6 . 1 7 THR C 1 8 TRP N 1 8 TRP CA 1 8 TRP C -140.73 -35.09 -90.09 -91.81 -94.40 . . 0 "[ . 1]"
7 . 1 8 TRP C 1 9 ILE N 1 9 ILE CA 1 9 ILE C -143.37 -96.71 -108.16 -115.04 -97.29 . . 0 "[ . 1]"
8 . 1 9 ILE C 1 10 GLN N 1 10 GLN CA 1 10 GLN C -129.01 -79.67 -88.28 -82.91 -86.22 . . 0 "[ . 1]"
9 . 1 10 GLN C 1 11 PHE N 1 11 PHE CA 1 11 PHE C 177.63 -97.87 -137.40 -140.40 -141.12 . . 0 "[ . 1]"
10 . 1 13 ASP C 1 14 SER N 1 14 SER CA 1 14 SER C -162.94 -106.26 -136.76 -134.85 -138.46 . . 0 "[ . 1]"
11 . 1 14 SER C 1 15 CYS N 1 15 CYS CA 1 15 CYS C -168.10 -118.90 -126.26 -132.40 -121.92 . . 0 "[ . 1]"
12 . 1 15 CYS C 1 16 TYR N 1 16 TYR CA 1 16 TYR C -144.83 -104.83 -122.13 -125.91 -120.36 . . 0 "[ . 1]"
13 . 1 16 TYR C 1 17 ILE N 1 17 ILE CA 1 17 ILE C -149.26 -106.44 -150.51 -150.91 -150.07 1.65 5 0 "[ . 1]"
14 . 1 17 ILE C 1 18 PHE N 1 18 PHE CA 1 18 PHE C -126.56 -86.56 -105.97 -107.74 -104.32 . . 0 "[ . 1]"
15 . 1 18 PHE C 1 19 LEU N 1 19 LEU CA 1 19 LEU C -121.99 -81.99 -123.07 -123.61 -122.69 1.62 7 0 "[ . 1]"
16 . 1 19 LEU C 1 20 GLN N 1 20 GLN CA 1 20 GLN C -108.57 -51.33 -68.31 -69.96 -67.07 . . 0 "[ . 1]"
17 . 1 20 GLN C 1 21 GLU N 1 21 GLU CA 1 21 GLU C -113.08 -44.14 -114.29 -115.14 -113.51 2.06 4 0 "[ . 1]"
18 . 1 21 GLU C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -92.49 -52.49 -84.63 -85.95 -87.18 . . 0 "[ . 1]"
19 . 1 22 ALA C 1 23 ILE N 1 23 ILE CA 1 23 ILE C -146.52 -97.34 -144.13 -144.62 -146.04 . . 0 "[ . 1]"
20 . 1 23 ILE C 1 24 LYS N 1 24 LYS CA 1 24 LYS C -96.89 -56.89 -68.18 -69.68 -67.01 . . 0 "[ . 1]"
21 . 1 24 LYS C 1 25 VAL N 1 25 VAL CA 1 25 VAL C -151.84 -96.74 -99.58 -97.85 -99.19 0.21 5 0 "[ . 1]"
22 . 1 25 VAL C 1 26 GLU N 1 26 GLU CA 1 26 GLU C -154.40 -61.48 -92.37 -102.29 -83.62 . . 0 "[ . 1]"
23 . 1 26 GLU C 1 27 SER N 1 27 SER CA 1 27 SER C -179.16 -104.04 -143.67 -146.98 -139.84 . . 0 "[ . 1]"
24 . 1 27 SER C 1 28 ILE N 1 28 ILE CA 1 28 ILE C -84.73 -44.73 -64.76 -63.70 -64.06 . . 0 "[ . 1]"
25 . 1 28 ILE C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -82.79 -42.79 -57.73 -58.61 -59.22 . . 0 "[ . 1]"
26 . 1 29 GLU C 1 30 ASP N 1 30 ASP CA 1 30 ASP C -85.25 -45.25 -71.80 -69.72 -71.53 . . 0 "[ . 1]"
27 . 1 30 ASP C 1 31 VAL N 1 31 VAL CA 1 31 VAL C -86.89 -46.89 -86.70 -88.44 -84.58 1.55 9 0 "[ . 1]"
28 . 1 31 VAL C 1 32 ARG N 1 32 ARG CA 1 32 ARG C -83.39 -43.39 -69.72 -68.71 -70.05 . . 0 "[ . 1]"
29 . 1 32 ARG C 1 33 ASN N 1 33 ASN CA 1 33 ASN C -86.38 -46.38 -61.84 -60.95 -61.87 . . 0 "[ . 1]"
30 . 1 33 ASN C 1 34 GLN N 1 34 GLN CA 1 34 GLN C -87.09 -47.09 -62.80 -65.87 -59.40 . . 0 "[ . 1]"
31 . 1 34 GLN C 1 35 CYS N 1 35 CYS CA 1 35 CYS C -86.24 -46.24 -84.03 -86.51 -81.20 0.27 5 0 "[ . 1]"
32 . 1 35 CYS C 1 36 THR N 1 36 THR CA 1 36 THR C -84.23 -44.23 -66.41 -65.73 -65.94 . . 0 "[ . 1]"
33 . 1 36 THR C 1 37 ASP N 1 37 ASP CA 1 37 ASP C -85.74 -45.74 -64.57 -70.84 -61.05 . . 0 "[ . 1]"
34 . 1 37 ASP C 1 38 HIS N 1 38 HIS CA 1 38 HIS C -117.37 -77.37 -108.37 -117.66 -101.74 0.29 2 0 "[ . 1]"
35 . 1 38 HIS C 1 39 GLY N 1 39 GLY CA 1 39 GLY C 51.38 91.38 74.74 70.80 79.10 . . 0 "[ . 1]"
36 . 1 39 GLY C 1 40 ALA N 1 40 ALA CA 1 40 ALA C -154.55 -98.65 -120.39 -131.39 -110.99 . . 0 "[ . 1]"
37 . 1 40 ALA C 1 41 ASP N 1 41 ASP CA 1 41 ASP C -157.88 -77.74 -138.71 -142.42 -132.94 . . 0 "[ . 1]"
38 . 1 41 ASP C 1 42 MET N 1 42 MET CA 1 42 MET C -133.48 -44.56 -63.77 -61.62 -61.76 . . 0 "[ . 1]"
39 . 1 44 SER C 1 45 ILE N 1 45 ILE CA 1 45 ILE C -146.42 -100.80 -101.00 -99.58 -99.87 2.73 10 0 "[ . 1]"
40 . 1 45 ILE C 1 46 HIS N 1 46 HIS CA 1 46 HIS C -142.79 -68.39 -117.62 -112.77 -116.40 . . 0 "[ . 1]"
41 . 1 46 HIS C 1 47 ASN N 1 47 ASN CA 1 47 ASN C -178.81 -138.81 -164.62 -162.35 -162.90 . . 0 "[ . 1]"
42 . 1 47 ASN C 1 48 GLU N 1 48 GLU CA 1 48 GLU C -87.23 -47.23 -68.74 -63.75 -67.28 . . 0 "[ . 1]"
43 . 1 48 GLU C 1 49 GLU N 1 49 GLU CA 1 49 GLU C -82.68 -42.68 -59.40 -69.41 -55.48 . . 0 "[ . 1]"
44 . 1 49 GLU C 1 50 GLU N 1 50 GLU CA 1 50 GLU C -86.19 -46.19 -65.63 -66.11 -67.29 . . 0 "[ . 1]"
45 . 1 50 GLU C 1 51 ASN N 1 51 ASN CA 1 51 ASN C -83.23 -43.23 -53.35 -58.07 -51.77 . . 0 "[ . 1]"
46 . 1 51 ASN C 1 52 ALA N 1 52 ALA CA 1 52 ALA C -84.53 -44.53 -74.04 -75.68 -77.04 . . 0 "[ . 1]"
47 . 1 52 ALA C 1 53 PHE N 1 53 PHE CA 1 53 PHE C -86.03 -46.03 -63.42 -60.84 -62.63 . . 0 "[ . 1]"
48 . 1 53 PHE C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -82.59 -42.59 -60.01 -61.69 -58.58 . . 0 "[ . 1]"
49 . 1 54 ILE C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -84.17 -44.17 -55.50 -53.97 -54.81 . . 0 "[ . 1]"
50 . 1 55 LEU C 1 56 ASP N 1 56 ASP CA 1 56 ASP C -85.39 -45.39 -85.40 -86.62 -83.09 1.23 2 0 "[ . 1]"
51 . 1 56 ASP C 1 57 THR N 1 57 THR CA 1 57 THR C -84.01 -44.01 -71.52 -73.40 -68.44 . . 0 "[ . 1]"
52 . 1 57 THR C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -85.14 -45.14 -57.05 -58.13 -55.92 . . 0 "[ . 1]"
53 . 1 58 LEU C 1 59 LYS N 1 59 LYS CA 1 59 LYS C -84.34 -44.34 -72.23 -72.07 -72.12 . . 0 "[ . 1]"
54 . 1 59 LYS C 1 60 LYS N 1 60 LYS CA 1 60 LYS C -92.26 -52.26 -69.98 -83.31 -54.25 . . 0 "[ . 1]"
55 . 1 60 LYS C 1 61 GLN N 1 61 GLN CA 1 61 GLN C -99.33 -59.33 -98.05 -101.74 -94.43 2.41 8 0 "[ . 1]"
56 . 1 64 GLY C 1 65 PRO N 1 65 PRO CA 1 65 PRO C -87.29 -47.29 -88.51 -89.21 -87.67 1.92 9 0 "[ . 1]"
57 . 1 65 PRO C 1 66 ASP N 1 66 ASP CA 1 66 ASP C -99.40 -59.40 -68.33 -68.57 -75.69 . . 0 "[ . 1]"
58 . 1 66 ASP C 1 67 ASP N 1 67 ASP CA 1 67 ASP C -168.25 -109.53 -145.95 -142.74 -147.80 . . 0 "[ . 1]"
59 . 1 67 ASP C 1 68 ILE N 1 68 ILE CA 1 68 ILE C -145.13 -105.13 -105.24 -107.59 -103.87 1.26 4 0 "[ . 1]"
60 . 1 68 ILE C 1 69 LEU N 1 69 LEU CA 1 69 LEU C -122.45 -52.55 -73.95 -74.84 -72.55 . . 0 "[ . 1]"
61 . 1 69 LEU C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -157.15 -86.29 -84.85 -85.17 -84.32 1.97 5 0 "[ . 1]"
62 . 1 71 GLY C 1 72 MET N 1 72 MET CA 1 72 MET C -163.03 -113.19 -126.90 -124.91 -125.77 . . 0 "[ . 1]"
63 . 1 72 MET C 1 73 PHE N 1 73 PHE CA 1 73 PHE C -162.08 -92.86 -123.27 -121.09 -122.54 . . 0 "[ . 1]"
64 . 1 73 PHE C 1 74 TYR N 1 74 TYR CA 1 74 TYR C -129.69 -60.29 -101.95 -100.30 -103.94 . . 0 "[ . 1]"
65 . 1 74 TYR C 1 75 ASP N 1 75 ASP CA 1 75 ASP C -119.35 -79.35 -79.37 -78.79 -78.93 0.64 10 0 "[ . 1]"
66 . 1 75 ASP C 1 76 THR N 1 76 THR CA 1 76 THR C -87.08 -47.08 -81.11 -79.10 -80.63 1.05 6 0 "[ . 1]"
67 . 1 76 THR C 1 77 ASP N 1 77 ASP CA 1 77 ASP C -88.65 -48.65 -71.74 -75.46 -76.26 . . 0 "[ . 1]"
68 . 1 77 ASP C 1 78 ASP N 1 78 ASP CA 1 78 ASP C -124.15 -76.15 -88.86 -98.58 -82.48 . . 0 "[ . 1]"
69 . 1 78 ASP C 1 79 ALA N 1 79 ALA CA 1 79 ALA C 22.94 82.94 63.29 64.38 61.63 . . 0 "[ . 1]"
70 . 1 79 ALA C 1 80 SER N 1 80 SER CA 1 80 SER C -172.25 -113.79 -140.91 -151.82 -131.75 . . 0 "[ . 1]"
71 . 1 80 SER C 1 81 PHE N 1 81 PHE CA 1 81 PHE C -104.67 -50.67 -92.55 -97.73 -87.48 . . 0 "[ . 1]"
72 . 1 81 PHE C 1 82 LYS N 1 82 LYS CA 1 82 LYS C -161.74 -110.70 -133.73 -147.04 -123.42 . . 0 "[ . 1]"
73 . 1 82 LYS C 1 83 TRP N 1 83 TRP CA 1 83 TRP C -109.31 -62.31 -84.95 -92.90 -78.34 . . 0 "[ . 1]"
74 . 1 83 TRP C 1 84 PHE N 1 84 PHE CA 1 84 PHE C -77.21 -37.21 -66.63 -66.74 -67.67 . . 0 "[ . 1]"
75 . 1 84 PHE C 1 85 ASP N 1 85 ASP CA 1 85 ASP C -106.75 -66.75 -68.59 -66.09 -66.58 0.66 2 0 "[ . 1]"
76 . 1 86 ASN C 1 87 SER N 1 87 SER CA 1 87 SER C -118.71 -48.01 -103.98 -111.96 -118.72 0.13 5 0 "[ . 1]"
77 . 1 87 SER C 1 88 ASN N 1 88 ASN CA 1 88 ASN C -98.90 -55.22 -62.01 -72.60 -55.20 0.02 1 0 "[ . 1]"
78 . 1 88 ASN C 1 89 MET N 1 89 MET CA 1 89 MET C -123.28 -70.96 -78.92 -78.34 -78.78 . . 0 "[ . 1]"
79 . 1 90 THR C 1 91 PHE N 1 91 PHE CA 1 91 PHE C -156.72 -93.40 -132.93 -118.25 -127.20 . . 0 "[ . 1]"
80 . 1 91 PHE C 1 92 ASP N 1 92 ASP CA 1 92 ASP C -169.66 -118.04 -157.26 -155.78 -156.00 . . 0 "[ . 1]"
81 . 1 92 ASP C 1 93 LYS N 1 93 LYS CA 1 93 LYS C -167.78 -41.94 -126.57 -129.16 -119.15 . . 0 "[ . 1]"
82 . 1 93 LYS C 1 94 TRP N 1 94 TRP CA 1 94 TRP C -93.66 -48.28 -85.68 -83.80 -84.44 . . 0 "[ . 1]"
83 . 1 94 TRP C 1 95 THR N 1 95 THR CA 1 95 THR C 174.93 -13.71 -113.95 -129.47 -97.30 . . 0 "[ . 1]"
84 . 1 95 THR C 1 96 ASP N 1 96 ASP CA 1 96 ASP C -88.03 -48.03 -83.88 -82.05 -84.32 0.42 3 0 "[ . 1]"
85 . 1 96 ASP C 1 97 GLN N 1 97 GLN CA 1 97 GLN C -125.92 -26.56 -123.05 -119.60 -123.23 0.43 10 0 "[ . 1]"
86 . 1 97 GLN C 1 98 ASP N 1 98 ASP CA 1 98 ASP C -86.11 -46.11 -72.57 -71.14 -79.84 1.77 10 0 "[ . 1]"
87 . 1 101 GLU C 1 102 ASP N 1 102 ASP CA 1 102 ASP C -106.50 -36.40 -104.45 -108.22 -94.33 1.72 8 0 "[ . 1]"
88 . 1 104 VAL C 1 105 ASP N 1 105 ASP CA 1 105 ASP C -135.32 -59.92 -78.31 -85.92 -67.30 . . 0 "[ . 1]"
89 . 1 105 ASP C 1 106 THR N 1 106 THR CA 1 106 THR C -127.79 -38.71 -125.07 -127.89 -120.98 0.10 9 0 "[ . 1]"
90 . 1 107 CYS C 1 108 ALA N 1 108 ALA CA 1 108 ALA C -155.66 -115.66 -112.57 -113.51 -111.93 3.73 1 0 "[ . 1]"
91 . 1 108 ALA C 1 109 PHE N 1 109 PHE CA 1 109 PHE C -140.85 -100.31 -131.66 -130.24 -131.02 . . 0 "[ . 1]"
92 . 1 109 PHE C 1 110 LEU N 1 110 LEU CA 1 110 LEU C -135.42 -78.04 -76.97 -77.42 -76.62 1.42 6 0 "[ . 1]"
93 . 1 110 LEU C 1 111 HIS N 1 111 HIS CA 1 111 HIS C -114.86 -74.86 -75.31 -74.81 -74.86 0.21 6 0 "[ . 1]"
94 . 1 111 HIS C 1 112 ILE N 1 112 ILE CA 1 112 ILE C -83.75 -43.75 -61.46 -61.02 -61.65 . . 0 "[ . 1]"
95 . 1 112 ILE C 1 113 LYS N 1 113 LYS CA 1 113 LYS C -91.57 -51.57 -82.59 -86.89 -78.86 . . 0 "[ . 1]"
96 . 1 113 LYS C 1 114 THR N 1 114 THR CA 1 114 THR C -137.10 -97.10 -108.94 -113.63 -100.43 . . 0 "[ . 1]"
97 . 1 114 THR C 1 115 GLY N 1 115 GLY CA 1 115 GLY C 57.56 97.56 86.74 76.47 93.52 . . 0 "[ . 1]"
98 . 1 115 GLY C 1 116 GLU N 1 116 GLU CA 1 116 GLU C -159.54 -50.50 -117.49 -117.62 -118.98 . . 0 "[ . 1]"
99 . 1 116 GLU C 1 117 TRP N 1 117 TRP CA 1 117 TRP C -131.30 -91.30 -104.32 -107.32 -110.67 . . 0 "[ . 1]"
100 . 1 117 TRP C 1 118 LYS N 1 118 LYS CA 1 118 LYS C -154.11 -114.11 -112.64 -113.76 -111.93 2.18 5 0 "[ . 1]"
101 . 1 118 LYS C 1 119 LYS N 1 119 LYS CA 1 119 LYS C -126.50 -65.88 -91.08 -97.09 -86.43 . . 0 "[ . 1]"
102 . 1 119 LYS C 1 120 GLY N 1 120 GLY CA 1 120 GLY C 143.77 -91.29 152.60 153.13 147.81 0.10 4 0 "[ . 1]"
103 . 1 124 VAL C 1 125 SER N 1 125 SER CA 1 125 SER C -88.68 -48.68 -84.10 -88.42 -78.98 . . 0 "[ . 1]"
104 . 1 125 SER C 1 126 SER N 1 126 SER CA 1 126 SER C -116.36 -76.36 -76.42 -78.11 -74.89 1.47 4 0 "[ . 1]"
105 . 1 126 SER C 1 127 VAL N 1 127 VAL CA 1 127 VAL C -133.35 -80.87 -103.65 -104.71 -105.93 . . 0 "[ . 1]"
106 . 1 127 VAL C 1 128 GLU N 1 128 GLU CA 1 128 GLU C -118.12 -58.12 -121.22 -121.19 -121.30 3.96 4 0 "[ . 1]"
107 . 1 128 GLU C 1 129 GLY N 1 129 GLY CA 1 129 GLY C 146.80 -125.32 -177.88 179.46 -175.43 . . 0 "[ . 1]"
108 . 1 129 GLY C 1 130 THR N 1 130 THR CA 1 130 THR C -149.19 -109.19 -134.81 -135.76 -136.69 . . 0 "[ . 1]"
109 . 1 130 THR C 1 131 LEU N 1 131 LEU CA 1 131 LEU C -132.46 -89.22 -93.90 -95.60 -92.25 . . 0 "[ . 1]"
110 . 1 131 LEU C 1 132 CYS N 1 132 CYS CA 1 132 CYS C -127.08 -87.08 -110.64 -112.52 -107.52 . . 0 "[ . 1]"
111 . 1 132 CYS C 1 133 LYS N 1 133 LYS CA 1 133 LYS C -153.62 -113.62 -129.89 -128.34 -129.60 . . 0 "[ . 1]"
112 . 1 133 LYS C 1 134 THR N 1 134 THR CA 1 134 THR C -167.35 -103.45 -138.98 -145.60 -132.95 . . 0 "[ . 1]"
113 . 1 134 THR C 1 135 ALA N 1 135 ALA CA 1 135 ALA C -109.13 -63.49 -79.94 -82.71 -92.87 . . 0 "[ . 1]"
114 . 1 135 ALA C 1 136 ILE N 1 136 ILE CA 1 136 ILE C -106.22 -47.98 -99.38 -95.48 -98.18 . . 0 "[ . 1]"
115 . 1 3 CYS N 1 3 CYS CA 1 3 CYS C 1 4 PRO N 102.84 177.12 147.61 135.81 156.33 . . 0 "[ . 1]"
116 . 1 4 PRO N 1 4 PRO CA 1 4 PRO C 1 5 SER N -51.23 -11.23 -47.89 -51.90 -51.98 0.75 1 0 "[ . 1]"
117 . 1 5 SER N 1 5 SER CA 1 5 SER C 1 6 SER N 140.81 -169.39 174.73 175.35 174.95 . . 0 "[ . 1]"
118 . 1 6 SER N 1 6 SER CA 1 6 SER C 1 7 THR N -46.13 13.87 -11.92 -0.20 -7.72 . . 0 "[ . 1]"
119 . 1 7 THR N 1 7 THR CA 1 7 THR C 1 8 TRP N -39.70 16.24 -13.37 -20.23 -5.44 . . 0 "[ . 1]"
120 . 1 8 TRP N 1 8 TRP CA 1 8 TRP C 1 9 ILE N 113.44 159.02 131.76 128.65 122.99 . . 0 "[ . 1]"
121 . 1 9 ILE N 1 9 ILE CA 1 9 ILE C 1 10 GLN N 110.25 150.25 117.32 112.05 122.05 . . 0 "[ . 1]"
122 . 1 10 GLN N 1 10 GLN CA 1 10 GLN C 1 11 PHE N 102.67 142.67 125.76 131.74 128.97 . . 0 "[ . 1]"
123 . 1 11 PHE N 1 11 PHE CA 1 11 PHE C 1 12 GLN N 105.37 145.37 121.13 118.31 118.05 . . 0 "[ . 1]"
124 . 1 14 SER N 1 14 SER CA 1 14 SER C 1 15 CYS N 129.11 169.11 166.73 163.07 169.63 0.52 1 0 "[ . 1]"
125 . 1 15 CYS N 1 15 CYS CA 1 15 CYS C 1 16 TYR N 132.09 172.09 140.43 139.24 135.94 0.84 7 0 "[ . 1]"
126 . 1 16 TYR N 1 16 TYR CA 1 16 TYR C 1 17 ILE N 117.29 160.65 141.70 141.58 141.34 . . 0 "[ . 1]"
127 . 1 17 ILE N 1 17 ILE CA 1 17 ILE C 1 18 PHE N 114.96 154.96 136.88 137.03 136.64 . . 0 "[ . 1]"
128 . 1 18 PHE N 1 18 PHE CA 1 18 PHE C 1 19 LEU N 104.63 144.63 124.65 124.69 124.14 . . 0 "[ . 1]"
129 . 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 GLN N 95.77 135.77 98.80 97.54 100.14 . . 0 "[ . 1]"
130 . 1 20 GLN N 1 20 GLN CA 1 20 GLN C 1 21 GLU N 98.51 176.65 94.69 94.80 94.70 4.37 10 0 "[ . 1]"
131 . 1 21 GLU N 1 21 GLU CA 1 21 GLU C 1 22 ALA N 112.90 166.76 117.00 112.63 121.51 0.27 8 0 "[ . 1]"
132 . 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 ILE N 117.71 166.17 116.53 115.61 117.11 2.10 9 0 "[ . 1]"
133 . 1 23 ILE N 1 23 ILE CA 1 23 ILE C 1 24 LYS N 111.34 153.18 156.26 156.24 156.13 3.49 10 0 "[ . 1]"
134 . 1 24 LYS N 1 24 LYS CA 1 24 LYS C 1 25 VAL N 108.73 148.73 108.26 107.55 108.65 1.18 3 0 "[ . 1]"
135 . 1 25 VAL N 1 25 VAL CA 1 25 VAL C 1 26 GLU N 111.95 173.61 114.46 116.46 114.82 0.51 5 0 "[ . 1]"
136 . 1 26 GLU N 1 26 GLU CA 1 26 GLU C 1 27 SER N -50.70 26.30 -37.54 -39.91 -41.04 . . 0 "[ . 1]"
137 . 1 27 SER N 1 27 SER CA 1 27 SER C 1 28 ILE N 138.48 -179.76 164.75 162.70 166.03 . . 0 "[ . 1]"
138 . 1 28 ILE N 1 28 ILE CA 1 28 ILE C 1 29 GLU N -51.60 -11.60 -23.34 -24.29 -22.27 . . 0 "[ . 1]"
139 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 ASP N -61.26 -21.26 -32.81 -37.58 -27.82 . . 0 "[ . 1]"
140 . 1 30 ASP N 1 30 ASP CA 1 30 ASP C 1 31 VAL N -61.51 -21.51 -34.65 -34.71 -35.16 . . 0 "[ . 1]"
141 . 1 31 VAL N 1 31 VAL CA 1 31 VAL C 1 32 ARG N -63.39 -23.39 -31.69 -34.10 -29.97 . . 0 "[ . 1]"
142 . 1 32 ARG N 1 32 ARG CA 1 32 ARG C 1 33 ASN N -60.14 -20.14 -21.80 -25.10 -20.00 0.14 1 0 "[ . 1]"
143 . 1 33 ASN N 1 33 ASN CA 1 33 ASN C 1 34 GLN N -56.92 -16.92 -28.72 -27.10 -28.75 . . 0 "[ . 1]"
144 . 1 34 GLN N 1 34 GLN CA 1 34 GLN C 1 35 CYS N -59.73 -19.73 -33.81 -33.92 -35.21 . . 0 "[ . 1]"
145 . 1 35 CYS N 1 35 CYS CA 1 35 CYS C 1 36 THR N -58.23 -18.23 -40.81 -40.34 -40.66 . . 0 "[ . 1]"
146 . 1 36 THR N 1 36 THR CA 1 36 THR C 1 37 ASP N -57.82 -17.82 -19.43 -19.64 -20.36 0.08 3 0 "[ . 1]"
147 . 1 37 ASP N 1 37 ASP CA 1 37 ASP C 1 38 HIS N -44.71 -4.71 -23.31 -17.00 -20.37 . . 0 "[ . 1]"
148 . 1 38 HIS N 1 38 HIS CA 1 38 HIS C 1 39 GLY N -12.60 27.40 10.49 16.52 12.76 . . 0 "[ . 1]"
149 . 1 39 GLY N 1 39 GLY CA 1 39 GLY C 1 40 ALA N 10.46 50.46 23.60 21.33 19.55 . . 0 "[ . 1]"
150 . 1 40 ALA N 1 40 ALA CA 1 40 ALA C 1 41 ASP N 139.41 179.41 -179.38 179.83 -178.62 1.97 4 0 "[ . 1]"
151 . 1 41 ASP N 1 41 ASP CA 1 41 ASP C 1 42 MET N 118.13 168.05 170.26 168.82 170.79 2.74 4 0 "[ . 1]"
152 . 1 42 MET N 1 42 MET CA 1 42 MET C 1 43 ILE N 105.47 149.25 148.35 142.08 150.39 1.14 1 0 "[ . 1]"
153 . 1 45 ILE N 1 45 ILE CA 1 45 ILE C 1 46 HIS N 107.20 175.20 122.77 118.88 127.50 . . 0 "[ . 1]"
154 . 1 46 HIS N 1 46 HIS CA 1 46 HIS C 1 47 ASN N -39.33 23.13 4.59 -0.76 10.22 . . 0 "[ . 1]"
155 . 1 47 ASN N 1 47 ASN CA 1 47 ASN C 1 48 GLU N 145.28 -174.72 163.96 164.52 162.55 . . 0 "[ . 1]"
156 . 1 48 GLU N 1 48 GLU CA 1 48 GLU C 1 49 GLU N -55.85 -15.85 -23.27 -27.31 -17.83 . . 0 "[ . 1]"
157 . 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 GLU N -63.24 -23.24 -46.61 -50.25 -41.37 . . 0 "[ . 1]"
158 . 1 50 GLU N 1 50 GLU CA 1 50 GLU C 1 51 ASN N -60.48 -20.48 -53.61 -52.01 -53.57 . . 0 "[ . 1]"
159 . 1 51 ASN N 1 51 ASN CA 1 51 ASN C 1 52 ALA N -64.32 -24.32 -53.05 -52.65 -53.63 . . 0 "[ . 1]"
160 . 1 52 ALA N 1 52 ALA CA 1 52 ALA C 1 53 PHE N -58.99 -18.99 -23.59 -27.77 -18.54 0.45 1 0 "[ . 1]"
161 . 1 53 PHE N 1 53 PHE CA 1 53 PHE C 1 54 ILE N -63.46 -23.46 -53.51 -58.41 -49.96 . . 0 "[ . 1]"
162 . 1 54 ILE N 1 54 ILE CA 1 54 ILE C 1 55 LEU N -63.84 -23.84 -42.21 -45.27 -40.44 . . 0 "[ . 1]"
163 . 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 ASP N -62.20 -22.20 -49.19 -48.98 -49.13 . . 0 "[ . 1]"
164 . 1 56 ASP N 1 56 ASP CA 1 56 ASP C 1 57 THR N -60.97 -20.97 -34.18 -37.27 -29.93 . . 0 "[ . 1]"
165 . 1 57 THR N 1 57 THR CA 1 57 THR C 1 58 LEU N -62.55 -22.55 -30.65 -31.87 -32.20 . . 0 "[ . 1]"
166 . 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 LYS N -61.90 -21.90 -59.62 -59.61 -60.06 . . 0 "[ . 1]"
167 . 1 59 LYS N 1 59 LYS CA 1 59 LYS C 1 60 LYS N -54.40 -14.40 -27.74 -43.09 -14.17 0.23 10 0 "[ . 1]"
168 . 1 60 LYS N 1 60 LYS CA 1 60 LYS C 1 61 GLN N -50.77 -10.77 -48.07 -42.31 -42.73 1.92 5 0 "[ . 1]"
169 . 1 61 GLN N 1 61 GLN CA 1 61 GLN C 1 62 TRP N -42.71 -2.71 -43.29 -43.56 -43.76 1.31 8 0 "[ . 1]"
170 . 1 65 PRO N 1 65 PRO CA 1 65 PRO C 1 66 ASP N 119.04 179.04 -178.62 -179.42 -177.94 3.02 1 0 "[ . 1]"
171 . 1 66 ASP N 1 66 ASP CA 1 66 ASP C 1 67 ASP N -50.79 -10.79 -38.86 -44.99 -30.40 . . 0 "[ . 1]"
172 . 1 67 ASP N 1 67 ASP CA 1 67 ASP C 1 68 ILE N 130.03 171.65 141.72 144.96 138.17 . . 0 "[ . 1]"
173 . 1 68 ILE N 1 68 ILE CA 1 68 ILE C 1 69 LEU N 110.42 150.56 151.61 151.63 151.63 2.83 6 0 "[ . 1]"
174 . 1 69 LEU N 1 69 LEU CA 1 69 LEU C 1 70 LEU N 110.43 150.43 136.81 134.83 139.25 . . 0 "[ . 1]"
175 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 GLY N 92.55 -179.61 158.92 159.64 158.96 . . 0 "[ . 1]"
176 . 1 72 MET N 1 72 MET CA 1 72 MET C 1 73 PHE N 130.51 170.71 135.95 130.21 150.45 0.30 2 0 "[ . 1]"
177 . 1 73 PHE N 1 73 PHE CA 1 73 PHE C 1 74 TYR N 110.78 167.42 152.76 141.76 161.05 . . 0 "[ . 1]"
178 . 1 74 TYR N 1 74 TYR CA 1 74 TYR C 1 75 ASP N 96.86 149.36 101.82 98.51 108.84 . . 0 "[ . 1]"
179 . 1 75 ASP N 1 75 ASP CA 1 75 ASP C 1 76 THR N 87.18 127.18 115.15 109.90 121.03 . . 0 "[ . 1]"
180 . 1 76 THR N 1 76 THR CA 1 76 THR C 1 77 ASP N -46.77 -6.77 -16.89 -21.92 -7.19 . . 0 "[ . 1]"
181 . 1 77 ASP N 1 77 ASP CA 1 77 ASP C 1 78 ASP N -60.04 -20.04 -47.51 -46.72 -47.71 . . 0 "[ . 1]"
182 . 1 78 ASP N 1 78 ASP CA 1 78 ASP C 1 79 ALA N -24.06 15.94 -22.15 -24.81 -15.02 0.75 4 0 "[ . 1]"
183 . 1 79 ALA N 1 79 ALA CA 1 79 ALA C 1 80 SER N 14.96 74.96 54.37 43.96 68.18 . . 0 "[ . 1]"
184 . 1 80 SER N 1 80 SER CA 1 80 SER C 1 81 PHE N 134.21 174.21 157.85 168.26 158.25 . . 0 "[ . 1]"
185 . 1 81 PHE N 1 81 PHE CA 1 81 PHE C 1 82 LYS N 116.38 156.38 133.72 141.30 131.04 . . 0 "[ . 1]"
186 . 1 82 LYS N 1 82 LYS CA 1 82 LYS C 1 83 TRP N 137.40 177.40 145.87 152.82 147.54 . . 0 "[ . 1]"
187 . 1 83 TRP N 1 83 TRP CA 1 83 TRP C 1 84 PHE N 124.18 179.34 140.03 135.81 146.82 . . 0 "[ . 1]"
188 . 1 84 PHE N 1 84 PHE CA 1 84 PHE C 1 85 ASP N -51.64 -11.64 -14.33 -19.61 -10.46 1.18 3 0 "[ . 1]"
189 . 1 85 ASP N 1 85 ASP CA 1 85 ASP C 1 86 ASN N -13.45 26.55 -12.40 -14.71 -8.36 1.26 7 0 "[ . 1]"
190 . 1 87 SER N 1 87 SER CA 1 87 SER C 1 88 ASN N 103.20 -176.00 159.64 167.27 163.89 . . 0 "[ . 1]"
191 . 1 88 ASN N 1 88 ASN CA 1 88 ASN C 1 89 MET N 102.35 156.03 146.12 144.29 144.20 . . 0 "[ . 1]"
192 . 1 89 MET N 1 89 MET CA 1 89 MET C 1 90 THR N 91.81 149.93 91.11 91.29 91.06 1.23 6 0 "[ . 1]"
193 . 1 91 PHE N 1 91 PHE CA 1 91 PHE C 1 92 ASP N 120.62 160.62 153.87 153.53 151.76 . . 0 "[ . 1]"
194 . 1 92 ASP N 1 92 ASP CA 1 92 ASP C 1 93 LYS N 128.56 -179.92 146.75 144.68 143.27 . . 0 "[ . 1]"
195 . 1 93 LYS N 1 93 LYS CA 1 93 LYS C 1 94 TRP N 71.16 -172.46 69.04 68.90 68.68 2.80 1 0 "[ . 1]"
196 . 1 94 TRP N 1 94 TRP CA 1 94 TRP C 1 95 THR N 117.41 160.05 145.05 154.08 143.70 0.07 10 0 "[ . 1]"
197 . 1 95 THR N 1 95 THR CA 1 95 THR C 1 96 ASP N 77.88 -147.96 167.86 162.87 176.91 . . 0 "[ . 1]"
198 . 1 96 ASP N 1 96 ASP CA 1 96 ASP C 1 97 GLN N 115.75 160.97 116.34 114.39 120.18 1.36 10 0 "[ . 1]"
199 . 1 97 GLN N 1 97 GLN CA 1 97 GLN C 1 98 ASP N 110.72 178.86 169.01 161.86 179.21 0.35 3 0 "[ . 1]"
200 . 1 98 ASP N 1 98 ASP CA 1 98 ASP C 1 99 ASP N 121.97 167.29 153.25 145.49 142.16 2.14 4 0 "[ . 1]"
201 . 1 102 ASP N 1 102 ASP CA 1 102 ASP C 1 103 LEU N 89.94 174.44 121.03 96.58 141.42 . . 0 "[ . 1]"
202 . 1 105 ASP N 1 105 ASP CA 1 105 ASP C 1 106 THR N -27.67 32.33 -16.59 -18.31 -21.84 . . 0 "[ . 1]"
203 . 1 106 THR N 1 106 THR CA 1 106 THR C 1 107 CYS N 87.71 -175.41 176.27 175.74 174.65 . . 0 "[ . 1]"
204 . 1 108 ALA N 1 108 ALA CA 1 108 ALA C 1 109 PHE N 124.48 166.04 119.94 119.70 120.32 4.78 2 0 "[ . 1]"
205 . 1 109 PHE N 1 109 PHE CA 1 109 PHE C 1 110 LEU N 111.70 151.70 134.04 131.45 136.15 . . 0 "[ . 1]"
206 . 1 110 LEU N 1 110 LEU CA 1 110 LEU C 1 111 HIS N 102.55 142.55 126.44 126.93 126.16 . . 0 "[ . 1]"
207 . 1 111 HIS N 1 111 HIS CA 1 111 HIS C 1 112 ILE N 87.44 127.44 119.81 117.36 123.04 . . 0 "[ . 1]"
208 . 1 112 ILE N 1 112 ILE CA 1 112 ILE C 1 113 LYS N -55.44 -15.44 -28.02 -29.83 -24.10 . . 0 "[ . 1]"
209 . 1 113 LYS N 1 113 LYS CA 1 113 LYS C 1 114 THR N -55.83 -15.83 -49.43 -47.32 -49.08 0.21 4 0 "[ . 1]"
210 . 1 114 THR N 1 114 THR CA 1 114 THR C 1 115 GLY N -35.97 4.03 -28.75 -24.25 -27.77 0.17 7 0 "[ . 1]"
211 . 1 115 GLY N 1 115 GLY CA 1 115 GLY C 1 116 GLU N -13.87 43.21 44.14 44.35 44.19 1.22 4 0 "[ . 1]"
212 . 1 116 GLU N 1 116 GLU CA 1 116 GLU C 1 117 TRP N 125.41 165.41 144.79 138.89 151.65 . . 0 "[ . 1]"
213 . 1 117 TRP N 1 117 TRP CA 1 117 TRP C 1 118 LYS N 114.82 162.12 153.90 151.93 156.27 . . 0 "[ . 1]"
214 . 1 118 LYS N 1 118 LYS CA 1 118 LYS C 1 119 LYS N 118.65 172.45 147.54 150.18 149.00 . . 0 "[ . 1]"
215 . 1 119 LYS N 1 119 LYS CA 1 119 LYS C 1 120 GLY N 115.53 157.91 137.12 124.98 144.10 . . 0 "[ . 1]"
216 . 1 120 GLY N 1 120 GLY CA 1 120 GLY C 1 121 ASN N 151.12 -164.42 -168.30 -164.60 -165.13 . . 0 "[ . 1]"
217 . 1 125 SER N 1 125 SER CA 1 125 SER C 1 126 SER N -46.44 -6.44 -5.27 -5.86 -4.27 2.17 4 0 "[ . 1]"
218 . 1 126 SER N 1 126 SER CA 1 126 SER C 1 127 VAL N -23.66 21.66 22.36 21.88 22.85 1.19 5 0 "[ . 1]"
219 . 1 127 VAL N 1 127 VAL CA 1 127 VAL C 1 128 GLU N 108.51 150.51 123.53 120.38 125.54 . . 0 "[ . 1]"
220 . 1 128 GLU N 1 128 GLU CA 1 128 GLU C 1 129 GLY N -59.36 10.26 10.07 6.74 11.38 1.12 1 0 "[ . 1]"
221 . 1 129 GLY N 1 129 GLY CA 1 129 GLY C 1 130 THR N 135.87 -168.81 136.01 135.69 135.43 0.62 3 0 "[ . 1]"
222 . 1 130 THR N 1 130 THR CA 1 130 THR C 1 131 LEU N 111.42 151.42 151.85 151.75 151.64 0.85 5 0 "[ . 1]"
223 . 1 131 LEU N 1 131 LEU CA 1 131 LEU C 1 132 CYS N 107.79 147.79 136.84 137.31 136.54 . . 0 "[ . 1]"
224 . 1 132 CYS N 1 132 CYS CA 1 132 CYS C 1 133 LYS N 108.01 148.01 143.41 143.38 143.03 . . 0 "[ . 1]"
225 . 1 133 LYS N 1 133 LYS CA 1 133 LYS C 1 134 THR N 125.75 165.75 136.64 133.48 130.31 . . 0 "[ . 1]"
226 . 1 134 THR N 1 134 THR CA 1 134 THR C 1 135 ALA N 106.77 174.79 135.39 122.57 147.09 . . 0 "[ . 1]"
227 . 1 135 ALA N 1 135 ALA CA 1 135 ALA C 1 136 ILE N 105.98 155.32 138.64 131.06 155.63 0.30 1 0 "[ . 1]"
228 . 1 136 ILE N 1 136 ILE CA 1 136 ILE C 1 137 PRO N 113.20 163.66 113.64 112.86 112.69 1.70 9 0 "[ . 1]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 228
_TA_constraint_stats_list.Viol_count 413
_TA_constraint_stats_list.Viol_total 5144.70
_TA_constraint_stats_list.Viol_max 4.78
_TA_constraint_stats_list.Viol_rms 0.67
_TA_constraint_stats_list.Viol_average_all_restraints 0.23
_TA_constraint_stats_list.Viol_average_violations_only 1.25
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
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 ASP C 1 3 CYS N 1 3 CYS CA 1 3 CYS C -98.10 -40.48 -95.30 -98.98 -80.69 0.88 4 0 "[ . 1]"
2 . 1 3 CYS C 1 4 PRO N 1 4 PRO CA 1 4 PRO C -81.70 -41.70 -53.27 -54.24 -55.68 . . 0 "[ . 1]"
3 . 1 4 PRO C 1 5 SER N 1 5 SER CA 1 5 SER C -176.33 -126.79 -141.32 -155.45 -132.53 . . 0 "[ . 1]"
4 . 1 5 SER C 1 6 SER N 1 6 SER CA 1 6 SER C -100.32 -40.32 -75.33 -79.40 -62.25 . . 0 "[ . 1]"
5 . 1 6 SER C 1 7 THR N 1 7 THR CA 1 7 THR C -115.69 -67.09 -74.24 -80.14 -80.46 0.34 6 0 "[ . 1]"
6 . 1 7 THR C 1 8 TRP N 1 8 TRP CA 1 8 TRP C -140.73 -35.09 -90.09 -91.81 -94.40 . . 0 "[ . 1]"
7 . 1 8 TRP C 1 9 ILE N 1 9 ILE CA 1 9 ILE C -143.37 -96.71 -108.16 -115.04 -97.29 . . 0 "[ . 1]"
8 . 1 9 ILE C 1 10 GLN N 1 10 GLN CA 1 10 GLN C -129.01 -79.67 -88.28 -82.91 -86.22 . . 0 "[ . 1]"
9 . 1 10 GLN C 1 11 PHE N 1 11 PHE CA 1 11 PHE C 177.63 -97.87 -137.40 -140.40 -141.12 . . 0 "[ . 1]"
10 . 1 13 ASP C 1 14 SER N 1 14 SER CA 1 14 SER C -162.94 -106.26 -136.76 -134.85 -138.46 . . 0 "[ . 1]"
11 . 1 14 SER C 1 15 CYS N 1 15 CYS CA 1 15 CYS C -168.10 -118.90 -126.26 -132.40 -121.92 . . 0 "[ . 1]"
12 . 1 15 CYS C 1 16 TYR N 1 16 TYR CA 1 16 TYR C -144.83 -104.83 -122.13 -125.91 -120.36 . . 0 "[ . 1]"
13 . 1 16 TYR C 1 17 ILE N 1 17 ILE CA 1 17 ILE C -149.26 -106.44 -150.51 -150.91 -150.07 1.65 5 0 "[ . 1]"
14 . 1 17 ILE C 1 18 PHE N 1 18 PHE CA 1 18 PHE C -126.56 -86.56 -105.97 -107.74 -104.32 . . 0 "[ . 1]"
15 . 1 18 PHE C 1 19 LEU N 1 19 LEU CA 1 19 LEU C -121.99 -81.99 -123.07 -123.61 -122.69 1.62 7 0 "[ . 1]"
16 . 1 19 LEU C 1 20 GLN N 1 20 GLN CA 1 20 GLN C -108.57 -51.33 -68.31 -69.96 -67.07 . . 0 "[ . 1]"
17 . 1 20 GLN C 1 21 GLU N 1 21 GLU CA 1 21 GLU C -113.08 -44.14 -114.29 -115.14 -113.51 2.06 4 0 "[ . 1]"
18 . 1 21 GLU C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -92.49 -52.49 -84.63 -85.95 -87.18 . . 0 "[ . 1]"
19 . 1 22 ALA C 1 23 ILE N 1 23 ILE CA 1 23 ILE C -146.52 -97.34 -144.13 -144.62 -146.04 . . 0 "[ . 1]"
20 . 1 23 ILE C 1 24 LYS N 1 24 LYS CA 1 24 LYS C -96.89 -56.89 -68.18 -69.68 -67.01 . . 0 "[ . 1]"
21 . 1 24 LYS C 1 25 VAL N 1 25 VAL CA 1 25 VAL C -151.84 -96.74 -99.58 -97.85 -99.19 0.21 5 0 "[ . 1]"
22 . 1 25 VAL C 1 26 GLU N 1 26 GLU CA 1 26 GLU C -154.40 -61.48 -92.37 -102.29 -83.62 . . 0 "[ . 1]"
23 . 1 26 GLU C 1 27 SER N 1 27 SER CA 1 27 SER C -179.16 -104.04 -143.67 -146.98 -139.84 . . 0 "[ . 1]"
24 . 1 27 SER C 1 28 ILE N 1 28 ILE CA 1 28 ILE C -84.73 -44.73 -64.76 -63.70 -64.06 . . 0 "[ . 1]"
25 . 1 28 ILE C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -82.79 -42.79 -57.73 -58.61 -59.22 . . 0 "[ . 1]"
26 . 1 29 GLU C 1 30 ASP N 1 30 ASP CA 1 30 ASP C -85.25 -45.25 -71.80 -69.72 -71.53 . . 0 "[ . 1]"
27 . 1 30 ASP C 1 31 VAL N 1 31 VAL CA 1 31 VAL C -86.89 -46.89 -86.70 -88.44 -84.58 1.55 9 0 "[ . 1]"
28 . 1 31 VAL C 1 32 ARG N 1 32 ARG CA 1 32 ARG C -83.39 -43.39 -69.72 -68.71 -70.05 . . 0 "[ . 1]"
29 . 1 32 ARG C 1 33 ASN N 1 33 ASN CA 1 33 ASN C -86.38 -46.38 -61.84 -60.95 -61.87 . . 0 "[ . 1]"
30 . 1 33 ASN C 1 34 GLN N 1 34 GLN CA 1 34 GLN C -87.09 -47.09 -62.80 -65.87 -59.40 . . 0 "[ . 1]"
31 . 1 34 GLN C 1 35 CYS N 1 35 CYS CA 1 35 CYS C -86.24 -46.24 -84.03 -86.51 -81.20 0.27 5 0 "[ . 1]"
32 . 1 35 CYS C 1 36 THR N 1 36 THR CA 1 36 THR C -84.23 -44.23 -66.41 -65.73 -65.94 . . 0 "[ . 1]"
33 . 1 36 THR C 1 37 ASP N 1 37 ASP CA 1 37 ASP C -85.74 -45.74 -64.57 -70.84 -61.05 . . 0 "[ . 1]"
34 . 1 37 ASP C 1 38 HIS N 1 38 HIS CA 1 38 HIS C -117.37 -77.37 -108.37 -117.66 -101.74 0.29 2 0 "[ . 1]"
35 . 1 38 HIS C 1 39 GLY N 1 39 GLY CA 1 39 GLY C 51.38 91.38 74.74 70.80 79.10 . . 0 "[ . 1]"
36 . 1 39 GLY C 1 40 ALA N 1 40 ALA CA 1 40 ALA C -154.55 -98.65 -120.39 -131.39 -110.99 . . 0 "[ . 1]"
37 . 1 40 ALA C 1 41 ASP N 1 41 ASP CA 1 41 ASP C -157.88 -77.74 -138.71 -142.42 -132.94 . . 0 "[ . 1]"
38 . 1 41 ASP C 1 42 MET N 1 42 MET CA 1 42 MET C -133.48 -44.56 -63.77 -61.62 -61.76 . . 0 "[ . 1]"
39 . 1 44 SER C 1 45 ILE N 1 45 ILE CA 1 45 ILE C -146.42 -100.80 -101.00 -99.58 -99.87 2.73 10 0 "[ . 1]"
40 . 1 45 ILE C 1 46 HIS N 1 46 HIS CA 1 46 HIS C -142.79 -68.39 -117.62 -112.77 -116.40 . . 0 "[ . 1]"
41 . 1 46 HIS C 1 47 ASN N 1 47 ASN CA 1 47 ASN C -178.81 -138.81 -164.62 -162.35 -162.90 . . 0 "[ . 1]"
42 . 1 47 ASN C 1 48 GLU N 1 48 GLU CA 1 48 GLU C -87.23 -47.23 -68.74 -63.75 -67.28 . . 0 "[ . 1]"
43 . 1 48 GLU C 1 49 GLU N 1 49 GLU CA 1 49 GLU C -82.68 -42.68 -59.40 -69.41 -55.48 . . 0 "[ . 1]"
44 . 1 49 GLU C 1 50 GLU N 1 50 GLU CA 1 50 GLU C -86.19 -46.19 -65.63 -66.11 -67.29 . . 0 "[ . 1]"
45 . 1 50 GLU C 1 51 ASN N 1 51 ASN CA 1 51 ASN C -83.23 -43.23 -53.35 -58.07 -51.77 . . 0 "[ . 1]"
46 . 1 51 ASN C 1 52 ALA N 1 52 ALA CA 1 52 ALA C -84.53 -44.53 -74.04 -75.68 -77.04 . . 0 "[ . 1]"
47 . 1 52 ALA C 1 53 PHE N 1 53 PHE CA 1 53 PHE C -86.03 -46.03 -63.42 -60.84 -62.63 . . 0 "[ . 1]"
48 . 1 53 PHE C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -82.59 -42.59 -60.01 -61.69 -58.58 . . 0 "[ . 1]"
49 . 1 54 ILE C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -84.17 -44.17 -55.50 -53.97 -54.81 . . 0 "[ . 1]"
50 . 1 55 LEU C 1 56 ASP N 1 56 ASP CA 1 56 ASP C -85.39 -45.39 -85.40 -86.62 -83.09 1.23 2 0 "[ . 1]"
51 . 1 56 ASP C 1 57 THR N 1 57 THR CA 1 57 THR C -84.01 -44.01 -71.52 -73.40 -68.44 . . 0 "[ . 1]"
52 . 1 57 THR C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -85.14 -45.14 -57.05 -58.13 -55.92 . . 0 "[ . 1]"
53 . 1 58 LEU C 1 59 LYS N 1 59 LYS CA 1 59 LYS C -84.34 -44.34 -72.23 -72.07 -72.12 . . 0 "[ . 1]"
54 . 1 59 LYS C 1 60 LYS N 1 60 LYS CA 1 60 LYS C -92.26 -52.26 -69.98 -83.31 -54.25 . . 0 "[ . 1]"
55 . 1 60 LYS C 1 61 GLN N 1 61 GLN CA 1 61 GLN C -99.33 -59.33 -98.05 -101.74 -94.43 2.41 8 0 "[ . 1]"
56 . 1 64 GLY C 1 65 PRO N 1 65 PRO CA 1 65 PRO C -87.29 -47.29 -88.51 -89.21 -87.67 1.92 9 0 "[ . 1]"
57 . 1 65 PRO C 1 66 ASP N 1 66 ASP CA 1 66 ASP C -99.40 -59.40 -68.33 -68.57 -75.69 . . 0 "[ . 1]"
58 . 1 66 ASP C 1 67 ASP N 1 67 ASP CA 1 67 ASP C -168.25 -109.53 -145.95 -142.74 -147.80 . . 0 "[ . 1]"
59 . 1 67 ASP C 1 68 ILE N 1 68 ILE CA 1 68 ILE C -145.13 -105.13 -105.24 -107.59 -103.87 1.26 4 0 "[ . 1]"
60 . 1 68 ILE C 1 69 LEU N 1 69 LEU CA 1 69 LEU C -122.45 -52.55 -73.95 -74.84 -72.55 . . 0 "[ . 1]"
61 . 1 69 LEU C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -157.15 -86.29 -84.85 -85.17 -84.32 1.97 5 0 "[ . 1]"
62 . 1 71 GLY C 1 72 MET N 1 72 MET CA 1 72 MET C -163.03 -113.19 -126.90 -124.91 -125.77 . . 0 "[ . 1]"
63 . 1 72 MET C 1 73 PHE N 1 73 PHE CA 1 73 PHE C -162.08 -92.86 -123.27 -121.09 -122.54 . . 0 "[ . 1]"
64 . 1 73 PHE C 1 74 TYR N 1 74 TYR CA 1 74 TYR C -129.69 -60.29 -101.95 -100.30 -103.94 . . 0 "[ . 1]"
65 . 1 74 TYR C 1 75 ASP N 1 75 ASP CA 1 75 ASP C -119.35 -79.35 -79.37 -78.79 -78.93 0.64 10 0 "[ . 1]"
66 . 1 75 ASP C 1 76 THR N 1 76 THR CA 1 76 THR C -87.08 -47.08 -81.11 -79.10 -80.63 1.05 6 0 "[ . 1]"
67 . 1 76 THR C 1 77 ASP N 1 77 ASP CA 1 77 ASP C -88.65 -48.65 -71.74 -75.46 -76.26 . . 0 "[ . 1]"
68 . 1 77 ASP C 1 78 ASP N 1 78 ASP CA 1 78 ASP C -124.15 -76.15 -88.86 -98.58 -82.48 . . 0 "[ . 1]"
69 . 1 78 ASP C 1 79 ALA N 1 79 ALA CA 1 79 ALA C 22.94 82.94 63.29 64.38 61.63 . . 0 "[ . 1]"
70 . 1 79 ALA C 1 80 SER N 1 80 SER CA 1 80 SER C -172.25 -113.79 -140.91 -151.82 -131.75 . . 0 "[ . 1]"
71 . 1 80 SER C 1 81 PHE N 1 81 PHE CA 1 81 PHE C -104.67 -50.67 -92.55 -97.73 -87.48 . . 0 "[ . 1]"
72 . 1 81 PHE C 1 82 LYS N 1 82 LYS CA 1 82 LYS C -161.74 -110.70 -133.73 -147.04 -123.42 . . 0 "[ . 1]"
73 . 1 82 LYS C 1 83 TRP N 1 83 TRP CA 1 83 TRP C -109.31 -62.31 -84.95 -92.90 -78.34 . . 0 "[ . 1]"
74 . 1 83 TRP C 1 84 PHE N 1 84 PHE CA 1 84 PHE C -77.21 -37.21 -66.63 -66.74 -67.67 . . 0 "[ . 1]"
75 . 1 84 PHE C 1 85 ASP N 1 85 ASP CA 1 85 ASP C -106.75 -66.75 -68.59 -66.09 -66.58 0.66 2 0 "[ . 1]"
76 . 1 86 ASN C 1 87 SER N 1 87 SER CA 1 87 SER C -118.71 -48.01 -103.98 -111.96 -118.72 0.13 5 0 "[ . 1]"
77 . 1 87 SER C 1 88 ASN N 1 88 ASN CA 1 88 ASN C -98.90 -55.22 -62.01 -72.60 -55.20 0.02 1 0 "[ . 1]"
78 . 1 88 ASN C 1 89 MET N 1 89 MET CA 1 89 MET C -123.28 -70.96 -78.92 -78.34 -78.78 . . 0 "[ . 1]"
79 . 1 90 THR C 1 91 PHE N 1 91 PHE CA 1 91 PHE C -156.72 -93.40 -132.93 -118.25 -127.20 . . 0 "[ . 1]"
80 . 1 91 PHE C 1 92 ASP N 1 92 ASP CA 1 92 ASP C -169.66 -118.04 -157.26 -155.78 -156.00 . . 0 "[ . 1]"
81 . 1 92 ASP C 1 93 LYS N 1 93 LYS CA 1 93 LYS C -167.78 -41.94 -126.57 -129.16 -119.15 . . 0 "[ . 1]"
82 . 1 93 LYS C 1 94 TRP N 1 94 TRP CA 1 94 TRP C -93.66 -48.28 -85.68 -83.80 -84.44 . . 0 "[ . 1]"
83 . 1 94 TRP C 1 95 THR N 1 95 THR CA 1 95 THR C 174.93 -13.71 -113.95 -129.47 -97.30 . . 0 "[ . 1]"
84 . 1 95 THR C 1 96 ASP N 1 96 ASP CA 1 96 ASP C -88.03 -48.03 -83.88 -82.05 -84.32 0.42 3 0 "[ . 1]"
85 . 1 96 ASP C 1 97 GLN N 1 97 GLN CA 1 97 GLN C -125.92 -26.56 -123.05 -119.60 -123.23 0.43 10 0 "[ . 1]"
86 . 1 97 GLN C 1 98 ASP N 1 98 ASP CA 1 98 ASP C -86.11 -46.11 -72.57 -71.14 -79.84 1.77 10 0 "[ . 1]"
87 . 1 101 GLU C 1 102 ASP N 1 102 ASP CA 1 102 ASP C -106.50 -36.40 -104.45 -108.22 -94.33 1.72 8 0 "[ . 1]"
88 . 1 104 VAL C 1 105 ASP N 1 105 ASP CA 1 105 ASP C -135.32 -59.92 -78.31 -85.92 -67.30 . . 0 "[ . 1]"
89 . 1 105 ASP C 1 106 THR N 1 106 THR CA 1 106 THR C -127.79 -38.71 -125.07 -127.89 -120.98 0.10 9 0 "[ . 1]"
90 . 1 107 CYS C 1 108 ALA N 1 108 ALA CA 1 108 ALA C -155.66 -115.66 -112.57 -113.51 -111.93 3.73 1 0 "[ . 1]"
91 . 1 108 ALA C 1 109 PHE N 1 109 PHE CA 1 109 PHE C -140.85 -100.31 -131.66 -130.24 -131.02 . . 0 "[ . 1]"
92 . 1 109 PHE C 1 110 LEU N 1 110 LEU CA 1 110 LEU C -135.42 -78.04 -76.97 -77.42 -76.62 1.42 6 0 "[ . 1]"
93 . 1 110 LEU C 1 111 HIS N 1 111 HIS CA 1 111 HIS C -114.86 -74.86 -75.31 -74.81 -74.86 0.21 6 0 "[ . 1]"
94 . 1 111 HIS C 1 112 ILE N 1 112 ILE CA 1 112 ILE C -83.75 -43.75 -61.46 -61.02 -61.65 . . 0 "[ . 1]"
95 . 1 112 ILE C 1 113 LYS N 1 113 LYS CA 1 113 LYS C -91.57 -51.57 -82.59 -86.89 -78.86 . . 0 "[ . 1]"
96 . 1 113 LYS C 1 114 THR N 1 114 THR CA 1 114 THR C -137.10 -97.10 -108.94 -113.63 -100.43 . . 0 "[ . 1]"
97 . 1 114 THR C 1 115 GLY N 1 115 GLY CA 1 115 GLY C 57.56 97.56 86.74 76.47 93.52 . . 0 "[ . 1]"
98 . 1 115 GLY C 1 116 GLU N 1 116 GLU CA 1 116 GLU C -159.54 -50.50 -117.49 -117.62 -118.98 . . 0 "[ . 1]"
99 . 1 116 GLU C 1 117 TRP N 1 117 TRP CA 1 117 TRP C -131.30 -91.30 -104.32 -107.32 -110.67 . . 0 "[ . 1]"
100 . 1 117 TRP C 1 118 LYS N 1 118 LYS CA 1 118 LYS C -154.11 -114.11 -112.64 -113.76 -111.93 2.18 5 0 "[ . 1]"
101 . 1 118 LYS C 1 119 LYS N 1 119 LYS CA 1 119 LYS C -126.50 -65.88 -91.08 -97.09 -86.43 . . 0 "[ . 1]"
102 . 1 119 LYS C 1 120 GLY N 1 120 GLY CA 1 120 GLY C 143.77 -91.29 152.60 153.13 147.81 0.10 4 0 "[ . 1]"
103 . 1 124 VAL C 1 125 SER N 1 125 SER CA 1 125 SER C -88.68 -48.68 -84.10 -88.42 -78.98 . . 0 "[ . 1]"
104 . 1 125 SER C 1 126 SER N 1 126 SER CA 1 126 SER C -116.36 -76.36 -76.42 -78.11 -74.89 1.47 4 0 "[ . 1]"
105 . 1 126 SER C 1 127 VAL N 1 127 VAL CA 1 127 VAL C -133.35 -80.87 -103.65 -104.71 -105.93 . . 0 "[ . 1]"
106 . 1 127 VAL C 1 128 GLU N 1 128 GLU CA 1 128 GLU C -118.12 -58.12 -121.22 -121.19 -121.30 3.96 4 0 "[ . 1]"
107 . 1 128 GLU C 1 129 GLY N 1 129 GLY CA 1 129 GLY C 146.80 -125.32 -177.88 179.46 -175.43 . . 0 "[ . 1]"
108 . 1 129 GLY C 1 130 THR N 1 130 THR CA 1 130 THR C -149.19 -109.19 -134.81 -135.76 -136.69 . . 0 "[ . 1]"
109 . 1 130 THR C 1 131 LEU N 1 131 LEU CA 1 131 LEU C -132.46 -89.22 -93.90 -95.60 -92.25 . . 0 "[ . 1]"
110 . 1 131 LEU C 1 132 CYS N 1 132 CYS CA 1 132 CYS C -127.08 -87.08 -110.64 -112.52 -107.52 . . 0 "[ . 1]"
111 . 1 132 CYS C 1 133 LYS N 1 133 LYS CA 1 133 LYS C -153.62 -113.62 -129.89 -128.34 -129.60 . . 0 "[ . 1]"
112 . 1 133 LYS C 1 134 THR N 1 134 THR CA 1 134 THR C -167.35 -103.45 -138.98 -145.60 -132.95 . . 0 "[ . 1]"
113 . 1 134 THR C 1 135 ALA N 1 135 ALA CA 1 135 ALA C -109.13 -63.49 -79.94 -82.71 -92.87 . . 0 "[ . 1]"
114 . 1 135 ALA C 1 136 ILE N 1 136 ILE CA 1 136 ILE C -106.22 -47.98 -99.38 -95.48 -98.18 . . 0 "[ . 1]"
115 . 1 3 CYS N 1 3 CYS CA 1 3 CYS C 1 4 PRO N 102.84 177.12 147.61 135.81 156.33 . . 0 "[ . 1]"
116 . 1 4 PRO N 1 4 PRO CA 1 4 PRO C 1 5 SER N -51.23 -11.23 -47.89 -51.90 -51.98 0.75 1 0 "[ . 1]"
117 . 1 5 SER N 1 5 SER CA 1 5 SER C 1 6 SER N 140.81 -169.39 174.73 175.35 174.95 . . 0 "[ . 1]"
118 . 1 6 SER N 1 6 SER CA 1 6 SER C 1 7 THR N -46.13 13.87 -11.92 -0.20 -7.72 . . 0 "[ . 1]"
119 . 1 7 THR N 1 7 THR CA 1 7 THR C 1 8 TRP N -39.70 16.24 -13.37 -20.23 -5.44 . . 0 "[ . 1]"
120 . 1 8 TRP N 1 8 TRP CA 1 8 TRP C 1 9 ILE N 113.44 159.02 131.76 128.65 122.99 . . 0 "[ . 1]"
121 . 1 9 ILE N 1 9 ILE CA 1 9 ILE C 1 10 GLN N 110.25 150.25 117.32 112.05 122.05 . . 0 "[ . 1]"
122 . 1 10 GLN N 1 10 GLN CA 1 10 GLN C 1 11 PHE N 102.67 142.67 125.76 131.74 128.97 . . 0 "[ . 1]"
123 . 1 11 PHE N 1 11 PHE CA 1 11 PHE C 1 12 GLN N 105.37 145.37 121.13 118.31 118.05 . . 0 "[ . 1]"
124 . 1 14 SER N 1 14 SER CA 1 14 SER C 1 15 CYS N 129.11 169.11 166.73 163.07 169.63 0.52 1 0 "[ . 1]"
125 . 1 15 CYS N 1 15 CYS CA 1 15 CYS C 1 16 TYR N 132.09 172.09 140.43 139.24 135.94 0.84 7 0 "[ . 1]"
126 . 1 16 TYR N 1 16 TYR CA 1 16 TYR C 1 17 ILE N 117.29 160.65 141.70 141.58 141.34 . . 0 "[ . 1]"
127 . 1 17 ILE N 1 17 ILE CA 1 17 ILE C 1 18 PHE N 114.96 154.96 136.88 137.03 136.64 . . 0 "[ . 1]"
128 . 1 18 PHE N 1 18 PHE CA 1 18 PHE C 1 19 LEU N 104.63 144.63 124.65 124.69 124.14 . . 0 "[ . 1]"
129 . 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 GLN N 95.77 135.77 98.80 97.54 100.14 . . 0 "[ . 1]"
130 . 1 20 GLN N 1 20 GLN CA 1 20 GLN C 1 21 GLU N 98.51 176.65 94.69 94.80 94.70 4.37 10 0 "[ . 1]"
131 . 1 21 GLU N 1 21 GLU CA 1 21 GLU C 1 22 ALA N 112.90 166.76 117.00 112.63 121.51 0.27 8 0 "[ . 1]"
132 . 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 ILE N 117.71 166.17 116.53 115.61 117.11 2.10 9 0 "[ . 1]"
133 . 1 23 ILE N 1 23 ILE CA 1 23 ILE C 1 24 LYS N 111.34 153.18 156.26 156.24 156.13 3.49 10 0 "[ . 1]"
134 . 1 24 LYS N 1 24 LYS CA 1 24 LYS C 1 25 VAL N 108.73 148.73 108.26 107.55 108.65 1.18 3 0 "[ . 1]"
135 . 1 25 VAL N 1 25 VAL CA 1 25 VAL C 1 26 GLU N 111.95 173.61 114.46 116.46 114.82 0.51 5 0 "[ . 1]"
136 . 1 26 GLU N 1 26 GLU CA 1 26 GLU C 1 27 SER N -50.70 26.30 -37.54 -39.91 -41.04 . . 0 "[ . 1]"
137 . 1 27 SER N 1 27 SER CA 1 27 SER C 1 28 ILE N 138.48 -179.76 164.75 162.70 166.03 . . 0 "[ . 1]"
138 . 1 28 ILE N 1 28 ILE CA 1 28 ILE C 1 29 GLU N -51.60 -11.60 -23.34 -24.29 -22.27 . . 0 "[ . 1]"
139 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 ASP N -61.26 -21.26 -32.81 -37.58 -27.82 . . 0 "[ . 1]"
140 . 1 30 ASP N 1 30 ASP CA 1 30 ASP C 1 31 VAL N -61.51 -21.51 -34.65 -34.71 -35.16 . . 0 "[ . 1]"
141 . 1 31 VAL N 1 31 VAL CA 1 31 VAL C 1 32 ARG N -63.39 -23.39 -31.69 -34.10 -29.97 . . 0 "[ . 1]"
142 . 1 32 ARG N 1 32 ARG CA 1 32 ARG C 1 33 ASN N -60.14 -20.14 -21.80 -25.10 -20.00 0.14 1 0 "[ . 1]"
143 . 1 33 ASN N 1 33 ASN CA 1 33 ASN C 1 34 GLN N -56.92 -16.92 -28.72 -27.10 -28.75 . . 0 "[ . 1]"
144 . 1 34 GLN N 1 34 GLN CA 1 34 GLN C 1 35 CYS N -59.73 -19.73 -33.81 -33.92 -35.21 . . 0 "[ . 1]"
145 . 1 35 CYS N 1 35 CYS CA 1 35 CYS C 1 36 THR N -58.23 -18.23 -40.81 -40.34 -40.66 . . 0 "[ . 1]"
146 . 1 36 THR N 1 36 THR CA 1 36 THR C 1 37 ASP N -57.82 -17.82 -19.43 -19.64 -20.36 0.08 3 0 "[ . 1]"
147 . 1 37 ASP N 1 37 ASP CA 1 37 ASP C 1 38 HIS N -44.71 -4.71 -23.31 -17.00 -20.37 . . 0 "[ . 1]"
148 . 1 38 HIS N 1 38 HIS CA 1 38 HIS C 1 39 GLY N -12.60 27.40 10.49 16.52 12.76 . . 0 "[ . 1]"
149 . 1 39 GLY N 1 39 GLY CA 1 39 GLY C 1 40 ALA N 10.46 50.46 23.60 21.33 19.55 . . 0 "[ . 1]"
150 . 1 40 ALA N 1 40 ALA CA 1 40 ALA C 1 41 ASP N 139.41 179.41 -179.38 179.83 -178.62 1.97 4 0 "[ . 1]"
151 . 1 41 ASP N 1 41 ASP CA 1 41 ASP C 1 42 MET N 118.13 168.05 170.26 168.82 170.79 2.74 4 0 "[ . 1]"
152 . 1 42 MET N 1 42 MET CA 1 42 MET C 1 43 ILE N 105.47 149.25 148.35 142.08 150.39 1.14 1 0 "[ . 1]"
153 . 1 45 ILE N 1 45 ILE CA 1 45 ILE C 1 46 HIS N 107.20 175.20 122.77 118.88 127.50 . . 0 "[ . 1]"
154 . 1 46 HIS N 1 46 HIS CA 1 46 HIS C 1 47 ASN N -39.33 23.13 4.59 -0.76 10.22 . . 0 "[ . 1]"
155 . 1 47 ASN N 1 47 ASN CA 1 47 ASN C 1 48 GLU N 145.28 -174.72 163.96 164.52 162.55 . . 0 "[ . 1]"
156 . 1 48 GLU N 1 48 GLU CA 1 48 GLU C 1 49 GLU N -55.85 -15.85 -23.27 -27.31 -17.83 . . 0 "[ . 1]"
157 . 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 GLU N -63.24 -23.24 -46.61 -50.25 -41.37 . . 0 "[ . 1]"
158 . 1 50 GLU N 1 50 GLU CA 1 50 GLU C 1 51 ASN N -60.48 -20.48 -53.61 -52.01 -53.57 . . 0 "[ . 1]"
159 . 1 51 ASN N 1 51 ASN CA 1 51 ASN C 1 52 ALA N -64.32 -24.32 -53.05 -52.65 -53.63 . . 0 "[ . 1]"
160 . 1 52 ALA N 1 52 ALA CA 1 52 ALA C 1 53 PHE N -58.99 -18.99 -23.59 -27.77 -18.54 0.45 1 0 "[ . 1]"
161 . 1 53 PHE N 1 53 PHE CA 1 53 PHE C 1 54 ILE N -63.46 -23.46 -53.51 -58.41 -49.96 . . 0 "[ . 1]"
162 . 1 54 ILE N 1 54 ILE CA 1 54 ILE C 1 55 LEU N -63.84 -23.84 -42.21 -45.27 -40.44 . . 0 "[ . 1]"
163 . 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 ASP N -62.20 -22.20 -49.19 -48.98 -49.13 . . 0 "[ . 1]"
164 . 1 56 ASP N 1 56 ASP CA 1 56 ASP C 1 57 THR N -60.97 -20.97 -34.18 -37.27 -29.93 . . 0 "[ . 1]"
165 . 1 57 THR N 1 57 THR CA 1 57 THR C 1 58 LEU N -62.55 -22.55 -30.65 -31.87 -32.20 . . 0 "[ . 1]"
166 . 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 LYS N -61.90 -21.90 -59.62 -59.61 -60.06 . . 0 "[ . 1]"
167 . 1 59 LYS N 1 59 LYS CA 1 59 LYS C 1 60 LYS N -54.40 -14.40 -27.74 -43.09 -14.17 0.23 10 0 "[ . 1]"
168 . 1 60 LYS N 1 60 LYS CA 1 60 LYS C 1 61 GLN N -50.77 -10.77 -48.07 -42.31 -42.73 1.92 5 0 "[ . 1]"
169 . 1 61 GLN N 1 61 GLN CA 1 61 GLN C 1 62 TRP N -42.71 -2.71 -43.29 -43.56 -43.76 1.31 8 0 "[ . 1]"
170 . 1 65 PRO N 1 65 PRO CA 1 65 PRO C 1 66 ASP N 119.04 179.04 -178.62 -179.42 -177.94 3.02 1 0 "[ . 1]"
171 . 1 66 ASP N 1 66 ASP CA 1 66 ASP C 1 67 ASP N -50.79 -10.79 -38.86 -44.99 -30.40 . . 0 "[ . 1]"
172 . 1 67 ASP N 1 67 ASP CA 1 67 ASP C 1 68 ILE N 130.03 171.65 141.72 144.96 138.17 . . 0 "[ . 1]"
173 . 1 68 ILE N 1 68 ILE CA 1 68 ILE C 1 69 LEU N 110.42 150.56 151.61 151.63 151.63 2.83 6 0 "[ . 1]"
174 . 1 69 LEU N 1 69 LEU CA 1 69 LEU C 1 70 LEU N 110.43 150.43 136.81 134.83 139.25 . . 0 "[ . 1]"
175 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 GLY N 92.55 -179.61 158.92 159.64 158.96 . . 0 "[ . 1]"
176 . 1 72 MET N 1 72 MET CA 1 72 MET C 1 73 PHE N 130.51 170.71 135.95 130.21 150.45 0.30 2 0 "[ . 1]"
177 . 1 73 PHE N 1 73 PHE CA 1 73 PHE C 1 74 TYR N 110.78 167.42 152.76 141.76 161.05 . . 0 "[ . 1]"
178 . 1 74 TYR N 1 74 TYR CA 1 74 TYR C 1 75 ASP N 96.86 149.36 101.82 98.51 108.84 . . 0 "[ . 1]"
179 . 1 75 ASP N 1 75 ASP CA 1 75 ASP C 1 76 THR N 87.18 127.18 115.15 109.90 121.03 . . 0 "[ . 1]"
180 . 1 76 THR N 1 76 THR CA 1 76 THR C 1 77 ASP N -46.77 -6.77 -16.89 -21.92 -7.19 . . 0 "[ . 1]"
181 . 1 77 ASP N 1 77 ASP CA 1 77 ASP C 1 78 ASP N -60.04 -20.04 -47.51 -46.72 -47.71 . . 0 "[ . 1]"
182 . 1 78 ASP N 1 78 ASP CA 1 78 ASP C 1 79 ALA N -24.06 15.94 -22.15 -24.81 -15.02 0.75 4 0 "[ . 1]"
183 . 1 79 ALA N 1 79 ALA CA 1 79 ALA C 1 80 SER N 14.96 74.96 54.37 43.96 68.18 . . 0 "[ . 1]"
184 . 1 80 SER N 1 80 SER CA 1 80 SER C 1 81 PHE N 134.21 174.21 157.85 168.26 158.25 . . 0 "[ . 1]"
185 . 1 81 PHE N 1 81 PHE CA 1 81 PHE C 1 82 LYS N 116.38 156.38 133.72 141.30 131.04 . . 0 "[ . 1]"
186 . 1 82 LYS N 1 82 LYS CA 1 82 LYS C 1 83 TRP N 137.40 177.40 145.87 152.82 147.54 . . 0 "[ . 1]"
187 . 1 83 TRP N 1 83 TRP CA 1 83 TRP C 1 84 PHE N 124.18 179.34 140.03 135.81 146.82 . . 0 "[ . 1]"
188 . 1 84 PHE N 1 84 PHE CA 1 84 PHE C 1 85 ASP N -51.64 -11.64 -14.33 -19.61 -10.46 1.18 3 0 "[ . 1]"
189 . 1 85 ASP N 1 85 ASP CA 1 85 ASP C 1 86 ASN N -13.45 26.55 -12.40 -14.71 -8.36 1.26 7 0 "[ . 1]"
190 . 1 87 SER N 1 87 SER CA 1 87 SER C 1 88 ASN N 103.20 -176.00 159.64 167.27 163.89 . . 0 "[ . 1]"
191 . 1 88 ASN N 1 88 ASN CA 1 88 ASN C 1 89 MET N 102.35 156.03 146.12 144.29 144.20 . . 0 "[ . 1]"
192 . 1 89 MET N 1 89 MET CA 1 89 MET C 1 90 THR N 91.81 149.93 91.11 91.29 91.06 1.23 6 0 "[ . 1]"
193 . 1 91 PHE N 1 91 PHE CA 1 91 PHE C 1 92 ASP N 120.62 160.62 153.87 153.53 151.76 . . 0 "[ . 1]"
194 . 1 92 ASP N 1 92 ASP CA 1 92 ASP C 1 93 LYS N 128.56 -179.92 146.75 144.68 143.27 . . 0 "[ . 1]"
195 . 1 93 LYS N 1 93 LYS CA 1 93 LYS C 1 94 TRP N 71.16 -172.46 69.04 68.90 68.68 2.80 1 0 "[ . 1]"
196 . 1 94 TRP N 1 94 TRP CA 1 94 TRP C 1 95 THR N 117.41 160.05 145.05 154.08 143.70 0.07 10 0 "[ . 1]"
197 . 1 95 THR N 1 95 THR CA 1 95 THR C 1 96 ASP N 77.88 -147.96 167.86 162.87 176.91 . . 0 "[ . 1]"
198 . 1 96 ASP N 1 96 ASP CA 1 96 ASP C 1 97 GLN N 115.75 160.97 116.34 114.39 120.18 1.36 10 0 "[ . 1]"
199 . 1 97 GLN N 1 97 GLN CA 1 97 GLN C 1 98 ASP N 110.72 178.86 169.01 161.86 179.21 0.35 3 0 "[ . 1]"
200 . 1 98 ASP N 1 98 ASP CA 1 98 ASP C 1 99 ASP N 121.97 167.29 153.25 145.49 142.16 2.14 4 0 "[ . 1]"
201 . 1 102 ASP N 1 102 ASP CA 1 102 ASP C 1 103 LEU N 89.94 174.44 121.03 96.58 141.42 . . 0 "[ . 1]"
202 . 1 105 ASP N 1 105 ASP CA 1 105 ASP C 1 106 THR N -27.67 32.33 -16.59 -18.31 -21.84 . . 0 "[ . 1]"
203 . 1 106 THR N 1 106 THR CA 1 106 THR C 1 107 CYS N 87.71 -175.41 176.27 175.74 174.65 . . 0 "[ . 1]"
204 . 1 108 ALA N 1 108 ALA CA 1 108 ALA C 1 109 PHE N 124.48 166.04 119.94 119.70 120.32 4.78 2 0 "[ . 1]"
205 . 1 109 PHE N 1 109 PHE CA 1 109 PHE C 1 110 LEU N 111.70 151.70 134.04 131.45 136.15 . . 0 "[ . 1]"
206 . 1 110 LEU N 1 110 LEU CA 1 110 LEU C 1 111 HIS N 102.55 142.55 126.44 126.93 126.16 . . 0 "[ . 1]"
207 . 1 111 HIS N 1 111 HIS CA 1 111 HIS C 1 112 ILE N 87.44 127.44 119.81 117.36 123.04 . . 0 "[ . 1]"
208 . 1 112 ILE N 1 112 ILE CA 1 112 ILE C 1 113 LYS N -55.44 -15.44 -28.02 -29.83 -24.10 . . 0 "[ . 1]"
209 . 1 113 LYS N 1 113 LYS CA 1 113 LYS C 1 114 THR N -55.83 -15.83 -49.43 -47.32 -49.08 0.21 4 0 "[ . 1]"
210 . 1 114 THR N 1 114 THR CA 1 114 THR C 1 115 GLY N -35.97 4.03 -28.75 -24.25 -27.77 0.17 7 0 "[ . 1]"
211 . 1 115 GLY N 1 115 GLY CA 1 115 GLY C 1 116 GLU N -13.87 43.21 44.14 44.35 44.19 1.22 4 0 "[ . 1]"
212 . 1 116 GLU N 1 116 GLU CA 1 116 GLU C 1 117 TRP N 125.41 165.41 144.79 138.89 151.65 . . 0 "[ . 1]"
213 . 1 117 TRP N 1 117 TRP CA 1 117 TRP C 1 118 LYS N 114.82 162.12 153.90 151.93 156.27 . . 0 "[ . 1]"
214 . 1 118 LYS N 1 118 LYS CA 1 118 LYS C 1 119 LYS N 118.65 172.45 147.54 150.18 149.00 . . 0 "[ . 1]"
215 . 1 119 LYS N 1 119 LYS CA 1 119 LYS C 1 120 GLY N 115.53 157.91 137.12 124.98 144.10 . . 0 "[ . 1]"
216 . 1 120 GLY N 1 120 GLY CA 1 120 GLY C 1 121 ASN N 151.12 -164.42 -168.30 -164.60 -165.13 . . 0 "[ . 1]"
217 . 1 125 SER N 1 125 SER CA 1 125 SER C 1 126 SER N -46.44 -6.44 -5.27 -5.86 -4.27 2.17 4 0 "[ . 1]"
218 . 1 126 SER N 1 126 SER CA 1 126 SER C 1 127 VAL N -23.66 21.66 22.36 21.88 22.85 1.19 5 0 "[ . 1]"
219 . 1 127 VAL N 1 127 VAL CA 1 127 VAL C 1 128 GLU N 108.51 150.51 123.53 120.38 125.54 . . 0 "[ . 1]"
220 . 1 128 GLU N 1 128 GLU CA 1 128 GLU C 1 129 GLY N -59.36 10.26 10.07 6.74 11.38 1.12 1 0 "[ . 1]"
221 . 1 129 GLY N 1 129 GLY CA 1 129 GLY C 1 130 THR N 135.87 -168.81 136.01 135.69 135.43 0.62 3 0 "[ . 1]"
222 . 1 130 THR N 1 130 THR CA 1 130 THR C 1 131 LEU N 111.42 151.42 151.85 151.75 151.64 0.85 5 0 "[ . 1]"
223 . 1 131 LEU N 1 131 LEU CA 1 131 LEU C 1 132 CYS N 107.79 147.79 136.84 137.31 136.54 . . 0 "[ . 1]"
224 . 1 132 CYS N 1 132 CYS CA 1 132 CYS C 1 133 LYS N 108.01 148.01 143.41 143.38 143.03 . . 0 "[ . 1]"
225 . 1 133 LYS N 1 133 LYS CA 1 133 LYS C 1 134 THR N 125.75 165.75 136.64 133.48 130.31 . . 0 "[ . 1]"
226 . 1 134 THR N 1 134 THR CA 1 134 THR C 1 135 ALA N 106.77 174.79 135.39 122.57 147.09 . . 0 "[ . 1]"
227 . 1 135 ALA N 1 135 ALA CA 1 135 ALA C 1 136 ILE N 105.98 155.32 138.64 131.06 155.63 0.30 1 0 "[ . 1]"
228 . 1 136 ILE N 1 136 ILE CA 1 136 ILE C 1 137 PRO N 113.20 163.66 113.64 112.86 112.69 1.70 9 0 "[ . 1]"
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