NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
433773 |
2jvb   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2jvb
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 274
_TA_constraint_stats_list.Viol_count 209
_TA_constraint_stats_list.Viol_total 1816.34
_TA_constraint_stats_list.Viol_max 4.37
_TA_constraint_stats_list.Viol_rms 0.35
_TA_constraint_stats_list.Viol_average_all_restraints 0.07
_TA_constraint_stats_list.Viol_average_violations_only 0.87
_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 LYS C 1 3 SER N 1 3 SER CA 1 3 SER C -134.00 -74.00 -84.41 -92.00 -108.00 0.59 10 0 "[ . 1]"
2 . 1 3 SER N 1 3 SER CA 1 3 SER C 1 4 ILE N -33.00 27.00 -27.53 -30.47 -31.82 0.15 10 0 "[ . 1]"
3 . 1 3 SER C 1 4 ILE N 1 4 ILE CA 1 4 ILE C -127.00 -67.00 -111.82 -124.83 -95.04 . . 0 "[ . 1]"
4 . 1 4 ILE N 1 4 ILE CA 1 4 ILE C 1 5 PRO N 109.00 169.00 108.44 107.70 110.03 1.30 4 0 "[ . 1]"
5 . 1 4 ILE C 1 5 PRO N 1 5 PRO CA 1 5 PRO C -125.00 -59.00 -80.79 -82.38 -77.32 . . 0 "[ . 1]"
6 . 1 5 PRO N 1 5 PRO CA 1 5 PRO C 1 6 VAL N 112.00 172.00 137.41 141.52 140.86 . . 0 "[ . 1]"
7 . 1 5 PRO C 1 6 VAL N 1 6 VAL CA 1 6 VAL C -144.00 -84.00 -133.24 -128.76 -131.41 . . 0 "[ . 1]"
8 . 1 6 VAL N 1 6 VAL CA 1 6 VAL C 1 7 ARG N 98.00 158.00 141.09 141.85 141.66 . . 0 "[ . 1]"
9 . 1 6 VAL C 1 7 ARG N 1 7 ARG CA 1 7 ARG C -148.00 -88.00 -135.90 -123.74 -132.10 0.18 5 0 "[ . 1]"
10 . 1 7 ARG N 1 7 ARG CA 1 7 ARG C 1 8 GLY N 116.00 176.00 149.45 149.60 146.76 . . 0 "[ . 1]"
11 . 1 7 ARG C 1 8 GLY N 1 8 GLY CA 1 8 GLY C -160.00 -100.00 -130.65 -125.94 -128.86 . . 0 "[ . 1]"
12 . 1 8 GLY N 1 8 GLY CA 1 8 GLY C 1 9 ALA N 128.00 -172.00 163.57 146.77 -179.29 . . 0 "[ . 1]"
13 . 1 8 GLY C 1 9 ALA N 1 9 ALA CA 1 9 ALA C -155.00 -95.00 -112.22 -103.55 -108.47 . . 0 "[ . 1]"
14 . 1 9 ALA N 1 9 ALA CA 1 9 ALA C 1 10 ALA N 120.00 180.00 137.04 161.15 149.88 0.78 4 0 "[ . 1]"
15 . 1 9 ALA C 1 10 ALA N 1 10 ALA CA 1 10 ALA C -143.50 -83.50 -121.17 -141.86 -103.38 . . 0 "[ . 1]"
16 . 1 10 ALA N 1 10 ALA CA 1 10 ALA C 1 11 ILE N 86.90 146.90 114.80 95.13 129.99 . . 0 "[ . 1]"
17 . 1 10 ALA C 1 11 ILE N 1 11 ILE CA 1 11 ILE C -136.30 -76.30 -123.76 -135.75 -108.79 . . 0 "[ . 1]"
18 . 1 11 ILE N 1 11 ILE CA 1 11 ILE C 1 12 PHE N 91.80 151.80 134.35 122.84 142.81 . . 0 "[ . 1]"
19 . 1 11 ILE C 1 12 PHE N 1 12 PHE CA 1 12 PHE C -154.50 -94.50 -131.74 -151.72 -115.76 . . 0 "[ . 1]"
20 . 1 12 PHE N 1 12 PHE CA 1 12 PHE C 1 13 ASN N 107.20 167.20 157.74 158.92 156.28 . . 0 "[ . 1]"
21 . 1 13 ASN C 1 14 GLU N 1 14 GLU CA 1 14 GLU C -90.00 -30.00 -57.60 -63.90 -64.69 . . 0 "[ . 1]"
22 . 1 14 GLU N 1 14 GLU CA 1 14 GLU C 1 15 ASN N -56.00 4.00 -30.73 -25.95 -28.71 . . 0 "[ . 1]"
23 . 1 14 GLU C 1 15 ASN N 1 15 ASN CA 1 15 ASN C -127.00 -67.00 -93.57 -123.87 -80.55 . . 0 "[ . 1]"
24 . 1 15 ASN N 1 15 ASN CA 1 15 ASN C 1 16 LEU N -21.00 39.00 8.95 6.08 4.61 0.55 4 0 "[ . 1]"
25 . 1 15 ASN C 1 16 LEU N 1 16 LEU CA 1 16 LEU C 32.00 92.00 47.04 45.31 43.43 . . 0 "[ . 1]"
26 . 1 16 LEU N 1 16 LEU CA 1 16 LEU C 1 17 SER N 7.00 67.00 47.06 44.23 43.29 . . 0 "[ . 1]"
27 . 1 16 LEU C 1 17 SER N 1 17 SER CA 1 17 SER C -122.80 -62.80 -114.23 -125.01 -67.08 2.21 2 0 "[ . 1]"
28 . 1 17 SER N 1 17 SER CA 1 17 SER C 1 18 LYS N -62.30 -2.30 -15.56 -2.03 -5.23 0.27 2 0 "[ . 1]"
29 . 1 17 SER C 1 18 LYS N 1 18 LYS CA 1 18 LYS C -166.80 -106.80 -138.67 -134.29 -136.80 . . 0 "[ . 1]"
30 . 1 18 LYS N 1 18 LYS CA 1 18 LYS C 1 19 ILE N 119.30 179.30 162.32 146.42 178.77 . . 0 "[ . 1]"
31 . 1 18 LYS C 1 19 ILE N 1 19 ILE CA 1 19 ILE C -166.20 -106.20 -123.87 -140.74 -109.66 . . 0 "[ . 1]"
32 . 1 19 ILE N 1 19 ILE CA 1 19 ILE C 1 20 LEU N 106.00 166.00 132.47 123.14 144.00 . . 0 "[ . 1]"
33 . 1 19 ILE C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -136.10 -76.10 -90.13 -92.06 -101.18 0.37 10 0 "[ . 1]"
34 . 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 LEU N 98.00 158.00 115.99 103.58 127.71 . . 0 "[ . 1]"
35 . 1 20 LEU C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -145.40 -85.40 -120.36 -133.23 -104.44 . . 0 "[ . 1]"
36 . 1 21 LEU N 1 21 LEU CA 1 21 LEU C 1 22 VAL N 129.00 -171.00 160.00 152.20 174.17 . . 0 "[ . 1]"
37 . 1 21 LEU C 1 22 VAL N 1 22 VAL CA 1 22 VAL C -164.50 -104.50 -140.12 -137.35 -137.69 . . 0 "[ . 1]"
38 . 1 22 VAL N 1 22 VAL CA 1 22 VAL C 1 23 GLN N 114.00 174.00 167.55 169.99 163.36 0.35 2 0 "[ . 1]"
39 . 1 22 VAL C 1 23 GLN N 1 23 GLN CA 1 23 GLN C -149.20 -89.20 -97.76 -88.58 -92.17 0.62 2 0 "[ . 1]"
40 . 1 23 GLN N 1 23 GLN CA 1 23 GLN C 1 24 GLY N 94.50 154.50 129.73 127.76 127.45 . . 0 "[ . 1]"
41 . 1 23 GLN C 1 24 GLY N 1 24 GLY CA 1 24 GLY C -153.80 -93.80 -105.38 -94.58 -95.63 . . 0 "[ . 1]"
42 . 1 24 GLY N 1 24 GLY CA 1 24 GLY C 1 25 THR N 174.70 -125.30 -162.59 -176.04 -145.37 . . 0 "[ . 1]"
43 . 1 24 GLY C 1 25 THR N 1 25 THR CA 1 25 THR C -96.80 -36.80 -53.47 -54.05 -56.74 . . 0 "[ . 1]"
44 . 1 25 THR N 1 25 THR CA 1 25 THR C 1 26 GLU N -70.30 -10.30 -32.78 -43.26 -24.07 . . 0 "[ . 1]"
45 . 1 26 GLU N 1 27 SER CA 1 27 SER C 1 27 SER N -93.33 -33.33 -29.59 -30.34 -28.96 4.37 7 0 "[ . 1]"
46 . 1 27 SER C 1 27 SER N 1 27 SER CA 1 28 ASP C -78.17 -18.17 -21.32 -26.02 -17.26 0.91 1 0 "[ . 1]"
47 . 1 27 SER C 1 28 ASP N 1 28 ASP CA 1 28 ASP C -136.64 -76.64 -119.49 -137.21 -77.07 0.57 8 0 "[ . 1]"
48 . 1 28 ASP N 1 28 ASP CA 1 28 ASP C 1 29 SER N 69.45 129.45 70.92 75.82 73.40 0.53 10 0 "[ . 1]"
49 . 1 28 ASP C 1 29 SER N 1 29 SER CA 1 29 SER C -128.00 -68.00 -127.77 -128.14 -128.30 0.84 10 0 "[ . 1]"
50 . 1 29 SER N 1 29 SER CA 1 29 SER C 1 30 TRP N 111.00 171.00 146.06 139.09 156.13 . . 0 "[ . 1]"
51 . 1 29 SER C 1 30 TRP N 1 30 TRP CA 1 30 TRP C -177.00 -57.00 -118.86 -133.77 -151.37 . . 0 "[ . 1]"
52 . 1 30 TRP N 1 30 TRP CA 1 30 TRP C 1 31 SER N 111.00 171.00 115.66 111.88 110.81 0.55 6 0 "[ . 1]"
53 . 1 30 TRP C 1 31 SER N 1 31 SER CA 1 31 SER C -173.00 -53.00 -160.06 -157.20 -161.25 . . 0 "[ . 1]"
54 . 1 31 SER N 1 31 SER CA 1 31 SER C 1 32 PHE N 117.00 177.00 171.18 164.88 176.57 . . 0 "[ . 1]"
55 . 1 31 SER C 1 32 PHE N 1 32 PHE CA 1 32 PHE C -133.00 -73.00 -80.74 -97.83 -73.28 . . 0 "[ . 1]"
56 . 1 32 PHE N 1 32 PHE CA 1 32 PHE C 1 33 PRO N 95.00 155.00 152.70 151.42 153.90 . . 0 "[ . 1]"
57 . 1 32 PHE C 1 33 PRO N 1 33 PRO CA 1 33 PRO C -95.00 -35.00 -64.53 -43.68 -65.80 . . 0 "[ . 1]"
58 . 1 33 PRO N 1 33 PRO CA 1 33 PRO C 1 34 ARG N 115.00 175.00 147.29 137.92 155.71 . . 0 "[ . 1]"
59 . 1 33 PRO C 1 34 ARG N 1 34 ARG CA 1 34 ARG C 176.00 -84.00 -137.39 -131.60 -139.01 . . 0 "[ . 1]"
60 . 1 34 ARG N 1 34 ARG CA 1 34 ARG C 1 35 GLY N 130.00 -170.00 176.90 170.01 -170.30 . . 0 "[ . 1]"
61 . 1 34 ARG C 1 35 GLY N 1 35 GLY CA 1 35 GLY C 128.00 -172.00 168.05 168.11 160.51 . . 0 "[ . 1]"
62 . 1 35 GLY N 1 35 GLY CA 1 35 GLY C 1 36 LYS N 177.00 -123.00 -176.25 177.16 -151.77 . . 0 "[ . 1]"
63 . 1 35 GLY C 1 36 LYS N 1 36 LYS CA 1 36 LYS C -134.00 -74.00 -95.31 -133.48 -79.17 . . 0 "[ . 1]"
64 . 1 36 LYS N 1 36 LYS CA 1 36 LYS C 1 37 ILE N 108.00 168.00 144.11 145.84 143.47 . . 0 "[ . 1]"
65 . 1 36 LYS C 1 37 ILE N 1 37 ILE CA 1 37 ILE C -141.00 -81.00 -122.29 -133.53 -108.58 . . 0 "[ . 1]"
66 . 1 37 ILE N 1 37 ILE CA 1 37 ILE C 1 38 SER N 97.00 157.00 148.90 136.48 157.10 0.10 7 0 "[ . 1]"
67 . 1 37 ILE C 1 38 SER N 1 38 SER CA 1 38 SER C -125.00 -65.00 -71.22 -82.78 -64.59 0.41 7 0 "[ . 1]"
68 . 1 38 SER N 1 38 SER CA 1 38 SER C 1 39 LYS N 116.00 176.00 147.05 150.33 145.55 . . 0 "[ . 1]"
69 . 1 38 SER C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -119.00 -59.00 -90.13 -112.61 -74.41 . . 0 "[ . 1]"
70 . 1 39 LYS N 1 39 LYS CA 1 39 LYS C 1 40 ASP N 121.00 -179.00 168.69 151.08 -178.90 0.10 10 0 "[ . 1]"
71 . 1 39 LYS C 1 40 ASP N 1 40 ASP CA 1 40 ASP C 27.13 87.13 64.39 53.89 77.70 . . 0 "[ . 1]"
72 . 1 40 ASP N 1 40 ASP CA 1 40 ASP C 1 41 GLU N -0.87 59.13 34.43 41.59 38.15 . . 0 "[ . 1]"
73 . 1 40 ASP C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -150.00 -90.00 -137.67 -149.45 -114.36 . . 0 "[ . 1]"
74 . 1 41 GLU N 1 41 GLU CA 1 41 GLU C 1 42 ASN N 109.00 169.00 154.50 155.33 148.37 . . 0 "[ . 1]"
75 . 1 41 GLU C 1 42 ASN N 1 42 ASN CA 1 42 ASN C -119.00 -59.00 -65.02 -58.81 -60.11 0.91 2 0 "[ . 1]"
76 . 1 42 ASN N 1 42 ASN CA 1 42 ASN C 1 43 ASP N 125.00 -173.00 136.39 124.73 151.38 0.27 2 0 "[ . 1]"
77 . 1 42 ASN C 1 43 ASP N 1 43 ASP CA 1 43 ASP C -91.00 -31.00 -60.57 -77.95 -49.34 . . 0 "[ . 1]"
78 . 1 43 ASP N 1 43 ASP CA 1 43 ASP C 1 44 ILE N -63.00 -3.00 -37.03 -32.36 -36.67 . . 0 "[ . 1]"
79 . 1 43 ASP C 1 44 ILE N 1 44 ILE CA 1 44 ILE C -97.00 -37.00 -66.92 -67.03 -68.77 . . 0 "[ . 1]"
80 . 1 44 ILE N 1 44 ILE CA 1 44 ILE C 1 45 ASP N -70.00 -10.00 -44.90 -43.84 -45.73 . . 0 "[ . 1]"
81 . 1 44 ILE C 1 45 ASP N 1 45 ASP CA 1 45 ASP C -96.00 -36.00 -65.02 -72.32 -56.95 . . 0 "[ . 1]"
82 . 1 45 ASP N 1 45 ASP CA 1 45 ASP C 1 46 CYS N -65.00 -5.00 -38.02 -35.32 -37.40 . . 0 "[ . 1]"
83 . 1 45 ASP C 1 46 CYS N 1 46 CYS CA 1 46 CYS C -94.00 -34.00 -71.05 -82.48 -60.58 . . 0 "[ . 1]"
84 . 1 46 CYS N 1 46 CYS CA 1 46 CYS C 1 47 CYS N -74.00 -14.00 -39.02 -42.53 -32.05 . . 0 "[ . 1]"
85 . 1 46 CYS C 1 47 CYS N 1 47 CYS CA 1 47 CYS C -93.00 -33.00 -64.30 -70.72 -55.21 . . 0 "[ . 1]"
86 . 1 47 CYS N 1 47 CYS CA 1 47 CYS C 1 48 ILE N -72.00 -12.00 -52.66 -61.57 -46.04 . . 0 "[ . 1]"
87 . 1 47 CYS C 1 48 ILE N 1 48 ILE CA 1 48 ILE C -92.60 -32.60 -59.52 -64.52 -54.45 . . 0 "[ . 1]"
88 . 1 48 ILE N 1 48 ILE CA 1 48 ILE C 1 49 ARG N -69.00 -9.00 -39.93 -42.76 -48.47 . . 0 "[ . 1]"
89 . 1 48 ILE C 1 49 ARG N 1 49 ARG CA 1 49 ARG C -94.50 -34.50 -65.30 -77.14 -58.39 . . 0 "[ . 1]"
90 . 1 49 ARG N 1 49 ARG CA 1 49 ARG C 1 50 GLU N -70.70 -10.70 -41.64 -48.41 -38.98 . . 0 "[ . 1]"
91 . 1 49 ARG C 1 50 GLU N 1 50 GLU CA 1 50 GLU C -97.70 -37.70 -77.86 -79.25 -82.61 . . 0 "[ . 1]"
92 . 1 50 GLU N 1 50 GLU CA 1 50 GLU C 1 51 VAL N -69.10 -9.10 -30.93 -37.19 -20.64 . . 0 "[ . 1]"
93 . 1 50 GLU C 1 51 VAL N 1 51 VAL CA 1 51 VAL C -93.60 -33.60 -72.03 -79.12 -85.05 . . 0 "[ . 1]"
94 . 1 51 VAL N 1 51 VAL CA 1 51 VAL C 1 52 LYS N -72.50 -12.50 -52.39 -50.41 -50.99 . . 0 "[ . 1]"
95 . 1 51 VAL C 1 52 LYS N 1 52 LYS CA 1 52 LYS C -94.20 -34.20 -63.16 -70.13 -58.59 . . 0 "[ . 1]"
96 . 1 52 LYS N 1 52 LYS CA 1 52 LYS C 1 53 GLU N -71.20 -11.20 -34.57 -45.30 -23.59 . . 0 "[ . 1]"
97 . 1 52 LYS C 1 53 GLU N 1 53 GLU CA 1 53 GLU C -94.20 -34.20 -71.00 -71.75 -76.33 . . 0 "[ . 1]"
98 . 1 53 GLU N 1 53 GLU CA 1 53 GLU C 1 54 GLU N -66.50 -6.50 -38.04 -45.45 -28.63 . . 0 "[ . 1]"
99 . 1 53 GLU C 1 54 GLU N 1 54 GLU CA 1 54 GLU C -92.30 -32.30 -79.40 -77.71 -82.11 . . 0 "[ . 1]"
100 . 1 54 GLU N 1 54 GLU CA 1 54 GLU C 1 55 ILE N -62.00 -2.00 -59.12 -58.68 -59.73 0.60 5 0 "[ . 1]"
101 . 1 54 GLU C 1 55 ILE N 1 55 ILE CA 1 55 ILE C -132.00 -72.00 -75.14 -71.68 -72.35 1.00 6 0 "[ . 1]"
102 . 1 55 ILE N 1 55 ILE CA 1 55 ILE C 1 56 GLY N -33.00 27.00 -32.12 -32.38 -32.97 0.67 3 0 "[ . 1]"
103 . 1 55 ILE C 1 56 GLY N 1 56 GLY CA 1 56 GLY C 48.00 108.00 96.75 82.89 104.50 . . 0 "[ . 1]"
104 . 1 56 GLY N 1 56 GLY CA 1 56 GLY C 1 57 PHE N -14.00 46.00 -11.12 -8.43 -12.89 0.56 9 0 "[ . 1]"
105 . 1 56 GLY C 1 57 PHE N 1 57 PHE CA 1 57 PHE C -161.00 -101.00 -116.03 -104.17 -110.90 . . 0 "[ . 1]"
106 . 1 57 PHE N 1 57 PHE CA 1 57 PHE C 1 58 ASP N 118.00 178.00 135.96 125.99 150.84 . . 0 "[ . 1]"
107 . 1 57 PHE C 1 58 ASP N 1 58 ASP CA 1 58 ASP C -135.00 -75.00 -105.22 -96.81 -104.49 0.17 10 0 "[ . 1]"
108 . 1 58 ASP N 1 58 ASP CA 1 58 ASP C 1 59 LEU N 97.00 157.00 138.06 125.10 156.92 . . 0 "[ . 1]"
109 . 1 58 ASP C 1 59 LEU N 1 59 LEU CA 1 59 LEU C -111.80 -51.80 -105.29 -103.01 -106.27 0.33 6 0 "[ . 1]"
110 . 1 59 LEU N 1 59 LEU CA 1 59 LEU C 1 60 THR N 110.70 170.70 116.82 110.19 154.35 0.51 9 0 "[ . 1]"
111 . 1 59 LEU C 1 60 THR N 1 60 THR CA 1 60 THR C -90.00 -30.00 -88.67 -91.07 -72.76 1.07 3 0 "[ . 1]"
112 . 1 60 THR N 1 60 THR CA 1 60 THR C 1 61 ASP N -61.00 -1.00 -56.02 -62.02 -14.51 1.02 3 0 "[ . 1]"
113 . 1 60 THR C 1 61 ASP N 1 61 ASP CA 1 61 ASP C -107.00 -47.00 -99.50 -101.70 -103.30 0.45 1 0 "[ . 1]"
114 . 1 61 ASP N 1 61 ASP CA 1 61 ASP C 1 62 TYR N -47.00 13.00 -2.06 -39.15 13.89 0.89 8 0 "[ . 1]"
115 . 1 61 ASP C 1 62 TYR N 1 62 TYR CA 1 62 TYR C -141.00 -81.00 -99.16 -109.63 -80.27 0.73 8 0 "[ . 1]"
116 . 1 62 TYR N 1 62 TYR CA 1 62 TYR C 1 63 ILE N -39.00 21.00 15.20 16.46 15.89 0.11 5 0 "[ . 1]"
117 . 1 62 TYR C 1 63 ILE N 1 63 ILE CA 1 63 ILE C -145.00 -85.00 -113.27 -114.02 -117.38 . . 0 "[ . 1]"
118 . 1 63 ILE N 1 63 ILE CA 1 63 ILE C 1 64 ASP N 105.00 165.00 136.68 129.60 149.98 . . 0 "[ . 1]"
119 . 1 63 ILE C 1 64 ASP N 1 64 ASP CA 1 64 ASP C -129.00 -69.00 -80.64 -106.61 -69.04 . . 0 "[ . 1]"
120 . 1 64 ASP N 1 64 ASP CA 1 64 ASP C 1 65 ASP N 96.00 156.00 147.92 135.68 156.19 0.19 10 0 "[ . 1]"
121 . 1 64 ASP C 1 65 ASP N 1 65 ASP CA 1 65 ASP C -93.38 -33.38 -80.74 -70.56 -75.47 2.52 5 0 "[ . 1]"
122 . 1 65 ASP N 1 65 ASP CA 1 65 ASP C 1 66 ASN N -66.87 -6.87 -51.97 -67.81 -10.81 0.94 8 0 "[ . 1]"
123 . 1 65 ASP C 1 66 ASN N 1 66 ASN CA 1 66 ASN C -133.00 -73.00 -132.85 -134.43 -130.21 1.43 8 0 "[ . 1]"
124 . 1 66 ASN N 1 66 ASN CA 1 66 ASN C 1 67 GLN N 60.00 -120.00 63.51 66.60 60.75 3.30 5 0 "[ . 1]"
125 . 1 66 ASN C 1 67 GLN N 1 67 GLN CA 1 67 GLN C -151.10 -91.10 -136.51 -128.51 -129.61 . . 0 "[ . 1]"
126 . 1 67 GLN N 1 67 GLN CA 1 67 GLN C 1 68 PHE N 108.60 168.60 107.67 108.56 108.12 1.61 10 0 "[ . 1]"
127 . 1 67 GLN C 1 68 PHE N 1 68 PHE CA 1 68 PHE C -166.60 -106.60 -159.57 -152.89 -152.94 0.63 6 0 "[ . 1]"
128 . 1 68 PHE N 1 68 PHE CA 1 68 PHE C 1 69 ILE N 126.40 -173.60 160.79 154.04 166.50 . . 0 "[ . 1]"
129 . 1 68 PHE C 1 69 ILE N 1 69 ILE CA 1 69 ILE C -147.00 -87.00 -126.84 -125.96 -127.56 . . 0 "[ . 1]"
130 . 1 69 ILE N 1 69 ILE CA 1 69 ILE C 1 70 GLU N 96.30 156.30 140.71 129.16 155.58 . . 0 "[ . 1]"
131 . 1 69 ILE C 1 70 GLU N 1 70 GLU CA 1 70 GLU C -144.20 -84.20 -110.65 -102.73 -110.58 . . 0 "[ . 1]"
132 . 1 70 GLU N 1 70 GLU CA 1 70 GLU C 1 71 ARG N 98.00 158.00 130.62 96.43 138.76 1.57 10 0 "[ . 1]"
133 . 1 70 GLU C 1 71 ARG N 1 71 ARG CA 1 71 ARG C -158.90 -98.90 -153.06 -152.73 -159.25 1.33 4 0 "[ . 1]"
134 . 1 71 ARG N 1 71 ARG CA 1 71 ARG C 1 72 ASN N 112.30 172.30 134.30 112.18 159.11 0.12 3 0 "[ . 1]"
135 . 1 71 ARG C 1 72 ASN N 1 72 ASN CA 1 72 ASN C -131.30 -71.30 -108.27 -119.72 -100.29 . . 0 "[ . 1]"
136 . 1 72 ASN N 1 72 ASN CA 1 72 ASN C 1 73 ILE N 94.00 154.00 113.65 116.01 115.07 . . 0 "[ . 1]"
137 . 1 72 ASN C 1 73 ILE N 1 73 ILE CA 1 73 ILE C -146.90 -86.90 -110.87 -120.97 -97.27 . . 0 "[ . 1]"
138 . 1 73 ILE N 1 73 ILE CA 1 73 ILE C 1 74 GLN N 95.30 155.30 133.71 139.09 132.46 . . 0 "[ . 1]"
139 . 1 74 GLN C 1 75 GLY N 1 75 GLY CA 1 75 GLY C 50.00 110.00 70.07 63.45 80.88 . . 0 "[ . 1]"
140 . 1 75 GLY N 1 75 GLY CA 1 75 GLY C 1 76 LYS N -25.00 35.00 -11.10 -4.20 -5.00 0.25 4 0 "[ . 1]"
141 . 1 75 GLY C 1 76 LYS N 1 76 LYS CA 1 76 LYS C -137.70 -77.70 -86.84 -90.66 -83.97 . . 0 "[ . 1]"
142 . 1 76 LYS N 1 76 LYS CA 1 76 LYS C 1 77 ASN N 117.30 177.30 128.04 119.46 137.36 . . 0 "[ . 1]"
143 . 1 76 LYS C 1 77 ASN N 1 77 ASN CA 1 77 ASN C -158.10 -78.10 -75.20 -76.10 -74.30 3.80 10 0 "[ . 1]"
144 . 1 77 ASN N 1 77 ASN CA 1 77 ASN C 1 78 TYR N 90.30 170.30 125.52 128.70 123.88 . . 0 "[ . 1]"
145 . 1 77 ASN C 1 78 TYR N 1 78 TYR CA 1 78 TYR C -141.20 -81.20 -131.28 -140.12 -117.24 . . 0 "[ . 1]"
146 . 1 78 TYR N 1 78 TYR CA 1 78 TYR C 1 79 LYS N 103.00 163.00 118.06 115.48 110.08 . . 0 "[ . 1]"
147 . 1 78 TYR C 1 79 LYS N 1 79 LYS CA 1 79 LYS C -144.90 -84.90 -113.49 -102.78 -108.18 . . 0 "[ . 1]"
148 . 1 79 LYS N 1 79 LYS CA 1 79 LYS C 1 80 ILE N 95.30 155.30 132.88 94.86 144.19 0.44 5 0 "[ . 1]"
149 . 1 79 LYS C 1 80 ILE N 1 80 ILE CA 1 80 ILE C -137.70 -77.70 -129.81 -123.15 -129.76 0.74 10 0 "[ . 1]"
150 . 1 80 ILE N 1 80 ILE CA 1 80 ILE C 1 81 PHE N 85.40 145.40 130.78 120.23 145.67 0.27 5 0 "[ . 1]"
151 . 1 80 ILE C 1 81 PHE N 1 81 PHE CA 1 81 PHE C -135.00 -75.00 -97.46 -101.42 -93.08 . . 0 "[ . 1]"
152 . 1 81 PHE N 1 81 PHE CA 1 81 PHE C 1 82 LEU N 89.00 149.00 128.54 120.75 137.49 . . 0 "[ . 1]"
153 . 1 81 PHE C 1 82 LEU N 1 82 LEU CA 1 82 LEU C -122.30 -62.30 -82.18 -95.32 -69.85 . . 0 "[ . 1]"
154 . 1 82 LEU N 1 82 LEU CA 1 82 LEU C 1 83 ILE N 92.10 152.10 129.43 124.27 139.86 . . 0 "[ . 1]"
155 . 1 82 LEU C 1 83 ILE N 1 83 ILE CA 1 83 ILE C -146.00 -86.00 -137.91 -138.14 -140.95 . . 0 "[ . 1]"
156 . 1 83 ILE N 1 83 ILE CA 1 83 ILE C 1 84 SER N 101.80 161.80 106.94 103.15 101.81 0.90 9 0 "[ . 1]"
157 . 1 83 ILE C 1 84 SER N 1 84 SER CA 1 84 SER C -149.00 -89.00 -120.35 -114.28 -117.26 . . 0 "[ . 1]"
158 . 1 84 SER N 1 84 SER CA 1 84 SER C 1 85 GLY N 134.00 -166.00 155.07 147.94 162.00 . . 0 "[ . 1]"
159 . 1 84 SER C 1 85 GLY N 1 85 GLY CA 1 85 GLY C 45.00 125.00 106.75 92.68 120.45 . . 0 "[ . 1]"
160 . 1 85 GLY N 1 85 GLY CA 1 85 GLY C 1 86 VAL N -20.00 60.00 4.52 -12.49 16.43 . . 0 "[ . 1]"
161 . 1 85 GLY C 1 86 VAL N 1 86 VAL CA 1 86 VAL C -108.00 -48.00 -67.29 -61.73 -67.97 . . 0 "[ . 1]"
162 . 1 86 VAL N 1 86 VAL CA 1 86 VAL C 1 87 SER N 113.00 173.00 143.68 115.73 161.05 . . 0 "[ . 1]"
163 . 1 86 VAL C 1 87 SER N 1 87 SER CA 1 87 SER C -122.00 -62.00 -78.92 -81.67 -98.46 0.04 8 0 "[ . 1]"
164 . 1 87 SER N 1 87 SER CA 1 87 SER C 1 88 GLU N 101.00 161.00 131.37 101.52 158.46 . . 0 "[ . 1]"
165 . 1 87 SER C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -99.00 -39.00 -85.40 -73.59 -83.06 0.41 3 0 "[ . 1]"
166 . 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 VAL N -54.00 6.00 -10.06 -23.85 6.29 0.29 3 0 "[ . 1]"
167 . 1 88 GLU C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -130.00 -70.00 -71.18 -74.79 -69.57 0.43 4 0 "[ . 1]"
168 . 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 PHE N -28.00 32.00 -22.51 -20.64 -27.73 0.33 10 0 "[ . 1]"
169 . 1 89 VAL C 1 90 PHE N 1 90 PHE CA 1 90 PHE C -120.00 -60.00 -91.61 -96.33 -98.23 . . 0 "[ . 1]"
170 . 1 90 PHE N 1 90 PHE CA 1 90 PHE C 1 91 ASN N 104.00 164.00 136.88 122.23 151.86 . . 0 "[ . 1]"
171 . 1 90 PHE C 1 91 ASN N 1 91 ASN CA 1 91 ASN C -136.00 -76.00 -94.27 -92.56 -97.99 . . 0 "[ . 1]"
172 . 1 91 ASN N 1 91 ASN CA 1 91 ASN C 1 92 PHE N 82.00 142.00 130.23 131.42 127.32 . . 0 "[ . 1]"
173 . 1 91 ASN C 1 92 PHE N 1 92 PHE CA 1 92 PHE C -130.00 -70.00 -108.00 -127.67 -95.72 . . 0 "[ . 1]"
174 . 1 92 PHE N 1 92 PHE CA 1 92 PHE C 1 93 LYS N 99.00 159.00 138.43 134.59 128.14 0.27 3 0 "[ . 1]"
175 . 1 92 PHE C 1 93 LYS N 1 93 LYS CA 1 93 LYS C -143.00 -83.00 -123.95 -143.30 -93.53 0.30 10 0 "[ . 1]"
176 . 1 93 LYS N 1 93 LYS CA 1 93 LYS C 1 94 PRO N 111.00 171.00 142.68 109.27 161.49 1.73 2 0 "[ . 1]"
177 . 1 93 LYS C 1 94 PRO N 1 94 PRO CA 1 94 PRO C -94.00 -34.00 -70.79 -83.03 -38.34 . . 0 "[ . 1]"
178 . 1 94 PRO N 1 94 PRO CA 1 94 PRO C 1 95 GLN N 115.00 175.00 137.09 156.68 149.46 . . 0 "[ . 1]"
179 . 1 94 PRO C 1 95 GLN N 1 95 GLN CA 1 95 GLN C -156.00 -96.00 -135.29 -126.50 -131.02 . . 0 "[ . 1]"
180 . 1 95 GLN N 1 95 GLN CA 1 95 GLN C 1 96 VAL N 70.00 130.00 85.70 99.78 83.57 0.35 4 0 "[ . 1]"
181 . 1 95 GLN C 1 96 VAL N 1 96 VAL CA 1 96 VAL C 173.00 -127.00 -134.43 -147.42 -126.84 0.16 9 0 "[ . 1]"
182 . 1 96 VAL N 1 96 VAL CA 1 96 VAL C 1 97 ARG N 171.00 -129.00 -170.66 173.61 -138.98 . . 0 "[ . 1]"
183 . 1 96 VAL C 1 97 ARG N 1 97 ARG CA 1 97 ARG C -91.00 -31.00 -46.87 -43.69 -45.58 . . 0 "[ . 1]"
184 . 1 97 ARG N 1 97 ARG CA 1 97 ARG C 1 98 ASN N 130.00 -170.00 148.77 145.77 154.05 . . 0 "[ . 1]"
185 . 1 97 ARG C 1 98 ASN N 1 98 ASN CA 1 98 ASN C -88.00 -28.00 -61.22 -74.38 -46.21 . . 0 "[ . 1]"
186 . 1 98 ASN N 1 98 ASN CA 1 98 ASN C 1 99 GLU N 103.00 163.00 108.99 114.19 109.39 0.99 7 0 "[ . 1]"
187 . 1 98 ASN C 1 99 GLU N 1 99 GLU CA 1 99 GLU C 158.00 -142.00 -161.24 -172.65 -147.30 . . 0 "[ . 1]"
188 . 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 ILE N -112.00 -52.00 -113.18 -112.85 -113.14 1.70 3 0 "[ . 1]"
189 . 1 99 GLU C 1 100 ILE N 1 100 ILE CA 1 100 ILE C -139.00 -79.00 -121.93 -109.05 -113.90 . . 0 "[ . 1]"
190 . 1 100 ILE N 1 100 ILE CA 1 100 ILE C 1 101 ASP N 94.00 154.00 121.94 102.95 136.70 . . 0 "[ . 1]"
191 . 1 100 ILE C 1 101 ASP N 1 101 ASP CA 1 101 ASP C -131.00 -71.00 -114.38 -123.18 -127.08 0.27 4 0 "[ . 1]"
192 . 1 101 ASP N 1 101 ASP CA 1 101 ASP C 1 102 LYS N 101.00 -169.00 110.69 101.07 101.05 0.51 8 0 "[ . 1]"
193 . 1 101 ASP C 1 102 LYS N 1 102 LYS CA 1 102 LYS C -173.00 -113.00 -143.14 -137.04 -137.69 . . 0 "[ . 1]"
194 . 1 102 LYS N 1 102 LYS CA 1 102 LYS C 1 103 ILE N 123.00 -177.00 133.22 123.18 141.33 . . 0 "[ . 1]"
195 . 1 102 LYS C 1 103 ILE N 1 103 ILE CA 1 103 ILE C -156.00 -96.00 -112.59 -104.13 -107.35 . . 0 "[ . 1]"
196 . 1 103 ILE N 1 103 ILE CA 1 103 ILE C 1 104 GLU N 104.00 164.00 142.14 128.50 154.24 . . 0 "[ . 1]"
197 . 1 103 ILE C 1 104 GLU N 1 104 GLU CA 1 104 GLU C -173.00 -113.00 -155.43 -167.71 -144.55 . . 0 "[ . 1]"
198 . 1 104 GLU N 1 104 GLU CA 1 104 GLU C 1 105 TRP N 117.00 177.00 135.38 117.75 156.59 . . 0 "[ . 1]"
199 . 1 104 GLU C 1 105 TRP N 1 105 TRP CA 1 105 TRP C -141.00 -81.00 -101.99 -89.63 -95.09 . . 0 "[ . 1]"
200 . 1 105 TRP N 1 105 TRP CA 1 105 TRP C 1 106 PHE N 100.00 160.00 106.30 103.20 101.50 . . 0 "[ . 1]"
201 . 1 105 TRP C 1 106 PHE N 1 106 PHE CA 1 106 PHE C -144.00 -84.00 -98.35 -95.88 -97.52 0.19 4 0 "[ . 1]"
202 . 1 106 PHE N 1 106 PHE CA 1 106 PHE C 1 107 ASP N 102.00 162.00 141.18 125.81 152.72 . . 0 "[ . 1]"
203 . 1 106 PHE C 1 107 ASP N 1 107 ASP CA 1 107 ASP C -108.70 -48.70 -70.52 -69.03 -70.67 . . 0 "[ . 1]"
204 . 1 107 ASP N 1 107 ASP CA 1 107 ASP C 1 108 PHE N 103.00 163.00 133.22 124.40 139.94 . . 0 "[ . 1]"
205 . 1 107 ASP C 1 108 PHE N 1 108 PHE CA 1 108 PHE C -89.00 -29.00 -52.62 -62.02 -46.04 . . 0 "[ . 1]"
206 . 1 108 PHE N 1 108 PHE CA 1 108 PHE C 1 109 LYS N -67.80 -7.80 -38.76 -55.51 -31.21 . . 0 "[ . 1]"
207 . 1 108 PHE C 1 109 LYS N 1 109 LYS CA 1 109 LYS C -94.70 -34.70 -59.69 -71.48 -50.76 . . 0 "[ . 1]"
208 . 1 109 LYS N 1 109 LYS CA 1 109 LYS C 1 110 LYS N -68.50 -8.50 -41.85 -45.37 -52.65 . . 0 "[ . 1]"
209 . 1 109 LYS C 1 110 LYS N 1 110 LYS CA 1 110 LYS C -94.90 -34.90 -57.99 -65.13 -48.31 . . 0 "[ . 1]"
210 . 1 110 LYS N 1 110 LYS CA 1 110 LYS C 1 111 ILE N -71.80 -11.80 -43.58 -38.81 -42.89 . . 0 "[ . 1]"
211 . 1 110 LYS C 1 111 ILE N 1 111 ILE CA 1 111 ILE C -96.20 -36.20 -66.63 -79.17 -55.11 . . 0 "[ . 1]"
212 . 1 111 ILE N 1 111 ILE CA 1 111 ILE C 1 112 SER N -72.20 -12.20 -29.95 -30.06 -33.05 . . 0 "[ . 1]"
213 . 1 111 ILE C 1 112 SER N 1 112 SER CA 1 112 SER C -94.00 -34.00 -76.87 -66.88 -68.35 . . 0 "[ . 1]"
214 . 1 112 SER N 1 112 SER CA 1 112 SER C 1 113 LYS N -67.00 -7.00 -27.67 -59.19 -10.66 . . 0 "[ . 1]"
215 . 1 112 SER C 1 113 LYS N 1 113 LYS CA 1 113 LYS C -129.00 -49.00 -88.38 -111.37 -56.72 . . 0 "[ . 1]"
216 . 1 113 LYS N 1 113 LYS CA 1 113 LYS C 1 114 THR N -48.00 32.00 1.38 -48.30 28.41 0.30 9 0 "[ . 1]"
217 . 1 114 THR C 1 115 MET N 1 115 MET CA 1 115 MET C -98.00 -18.00 -60.59 -95.51 -47.44 . . 0 "[ . 1]"
218 . 1 115 MET N 1 115 MET CA 1 115 MET C 1 116 TYR N -75.00 5.00 -37.70 -28.27 -29.84 . . 0 "[ . 1]"
219 . 1 115 MET C 1 116 TYR N 1 116 TYR CA 1 116 TYR C -136.00 -56.00 -71.51 -69.40 -72.17 0.13 7 0 "[ . 1]"
220 . 1 116 TYR N 1 116 TYR CA 1 116 TYR C 1 117 LYS N -49.00 31.00 -17.65 -46.58 22.71 . . 0 "[ . 1]"
221 . 1 116 TYR C 1 117 LYS N 1 117 LYS CA 1 117 LYS C -119.00 -59.00 -85.77 -59.70 -64.55 0.39 4 0 "[ . 1]"
222 . 1 117 LYS N 1 117 LYS CA 1 117 LYS C 1 118 SER N 101.00 161.00 121.24 106.74 138.26 . . 0 "[ . 1]"
223 . 1 117 LYS C 1 118 SER N 1 118 SER CA 1 118 SER C -132.00 -72.00 -107.10 -132.29 -92.06 0.29 2 0 "[ . 1]"
224 . 1 118 SER N 1 118 SER CA 1 118 SER C 1 119 ASN N -48.00 12.00 -23.33 -45.53 9.86 . . 0 "[ . 1]"
225 . 1 119 ASN C 1 120 ILE N 1 120 ILE CA 1 120 ILE C -137.70 -77.70 -127.75 -137.92 -113.67 0.22 3 0 "[ . 1]"
226 . 1 120 ILE N 1 120 ILE CA 1 120 ILE C 1 121 LYS N 98.00 158.00 131.90 154.99 144.51 . . 0 "[ . 1]"
227 . 1 120 ILE C 1 121 LYS N 1 121 LYS CA 1 121 LYS C -139.00 -79.00 -135.31 -130.43 -132.78 0.44 7 0 "[ . 1]"
228 . 1 121 LYS N 1 121 LYS CA 1 121 LYS C 1 122 TYR N 104.00 164.00 149.01 135.35 162.02 . . 0 "[ . 1]"
229 . 1 121 LYS C 1 122 TYR N 1 122 TYR CA 1 122 TYR C -126.00 -66.00 -97.07 -67.06 -85.82 . . 0 "[ . 1]"
230 . 1 122 TYR N 1 122 TYR CA 1 122 TYR C 1 123 TYR N 78.00 154.00 107.81 117.84 105.23 0.15 4 0 "[ . 1]"
231 . 1 122 TYR C 1 123 TYR N 1 123 TYR CA 1 123 TYR C -102.00 -42.00 -78.13 -101.49 -49.89 . . 0 "[ . 1]"
232 . 1 123 TYR N 1 123 TYR CA 1 123 TYR C 1 124 LEU N -77.00 -1.00 -35.70 -6.07 -10.05 . . 0 "[ . 1]"
233 . 1 123 TYR C 1 124 LEU N 1 124 LEU CA 1 124 LEU C -95.00 -35.00 -59.89 -74.10 -50.68 . . 0 "[ . 1]"
234 . 1 124 LEU N 1 124 LEU CA 1 124 LEU C 1 125 ILE N -61.00 -1.00 -48.80 -45.45 -48.64 . . 0 "[ . 1]"
235 . 1 124 LEU C 1 125 ILE N 1 125 ILE CA 1 125 ILE C -111.00 -51.00 -79.60 -109.70 -56.48 . . 0 "[ . 1]"
236 . 1 125 ILE N 1 125 ILE CA 1 125 ILE C 1 126 ASN N -63.00 -3.00 -33.70 -47.45 -27.43 . . 0 "[ . 1]"
237 . 1 125 ILE C 1 126 ASN N 1 126 ASN CA 1 126 ASN C -90.00 -30.00 -53.12 -48.30 -50.73 . . 0 "[ . 1]"
238 . 1 126 ASN N 1 126 ASN CA 1 126 ASN C 1 127 SER N -60.00 0.00 -45.66 -57.90 -34.80 . . 0 "[ . 1]"
239 . 1 126 ASN C 1 127 SER N 1 127 SER CA 1 127 SER C -93.70 -33.70 -70.84 -65.68 -67.52 . . 0 "[ . 1]"
240 . 1 127 SER N 1 127 SER CA 1 127 SER C 1 128 MET N -63.10 -3.10 -35.82 -42.23 -27.81 . . 0 "[ . 1]"
241 . 1 127 SER C 1 128 MET N 1 128 MET CA 1 128 MET C -98.00 -38.00 -86.77 -78.48 -83.44 . . 0 "[ . 1]"
242 . 1 128 MET N 1 128 MET CA 1 128 MET C 1 129 MET N -58.00 2.00 -5.75 -29.36 3.11 1.11 3 0 "[ . 1]"
243 . 1 128 MET C 1 129 MET N 1 129 MET CA 1 129 MET C -101.30 -41.30 -55.71 -58.65 -60.56 . . 0 "[ . 1]"
244 . 1 129 MET N 1 129 MET CA 1 129 MET C 1 130 ARG N -63.50 -3.50 -40.50 -59.92 -31.69 . . 0 "[ . 1]"
245 . 1 129 MET C 1 130 ARG N 1 130 ARG CA 1 130 ARG C -92.10 -32.10 -63.08 -77.50 -54.31 . . 0 "[ . 1]"
246 . 1 130 ARG N 1 130 ARG CA 1 130 ARG C 1 131 PRO N -68.00 -8.00 -63.50 -65.84 -51.22 . . 0 "[ . 1]"
247 . 1 130 ARG C 1 131 PRO N 1 131 PRO CA 1 131 PRO C -100.90 -40.90 -59.35 -64.97 -49.39 . . 0 "[ . 1]"
248 . 1 131 PRO N 1 131 PRO CA 1 131 PRO C 1 132 LEU N -61.20 -1.20 -46.82 -48.31 -51.11 . . 0 "[ . 1]"
249 . 1 131 PRO C 1 132 LEU N 1 132 LEU CA 1 132 LEU C -96.70 -36.70 -56.72 -68.67 -48.99 . . 0 "[ . 1]"
250 . 1 132 LEU N 1 132 LEU CA 1 132 LEU C 1 133 SER N -72.70 -12.70 -42.14 -41.79 -46.86 . . 0 "[ . 1]"
251 . 1 132 LEU C 1 133 SER N 1 133 SER CA 1 133 SER C -95.70 -35.70 -67.82 -63.49 -64.19 . . 0 "[ . 1]"
252 . 1 133 SER N 1 133 SER CA 1 133 SER C 1 134 MET N -68.50 -8.50 -40.58 -49.05 -59.20 . . 0 "[ . 1]"
253 . 1 133 SER C 1 134 MET N 1 134 MET CA 1 134 MET C -93.90 -33.90 -65.94 -73.57 -50.99 . . 0 "[ . 1]"
254 . 1 134 MET N 1 134 MET CA 1 134 MET C 1 135 TRP N -70.90 -10.90 -53.30 -52.12 -52.89 . . 0 "[ . 1]"
255 . 1 134 MET C 1 135 TRP N 1 135 TRP CA 1 135 TRP C -92.10 -32.10 -57.23 -57.46 -61.21 . . 0 "[ . 1]"
256 . 1 135 TRP N 1 135 TRP CA 1 135 TRP C 1 136 LEU N -74.00 -14.00 -54.84 -66.83 -42.92 . . 0 "[ . 1]"
257 . 1 135 TRP C 1 136 LEU N 1 136 LEU CA 1 136 LEU C -92.80 -32.80 -56.78 -54.86 -56.56 . . 0 "[ . 1]"
258 . 1 136 LEU N 1 136 LEU CA 1 136 LEU C 1 137 ARG N -72.20 -12.20 -29.47 -37.87 -22.16 . . 0 "[ . 1]"
259 . 1 136 LEU C 1 137 ARG N 1 137 ARG CA 1 137 ARG C -96.30 -36.30 -64.26 -75.42 -57.65 . . 0 "[ . 1]"
260 . 1 137 ARG N 1 137 ARG CA 1 137 ARG C 1 138 HIS N -72.10 -12.10 -37.35 -29.39 -33.56 . . 0 "[ . 1]"
261 . 1 137 ARG C 1 138 HIS N 1 138 HIS CA 1 138 HIS C -94.00 -34.00 -66.53 -75.66 -57.02 . . 0 "[ . 1]"
262 . 1 138 HIS N 1 138 HIS CA 1 138 HIS C 1 139 GLN N -67.30 -7.30 -45.06 -55.64 -37.06 . . 0 "[ . 1]"
263 . 1 138 HIS C 1 139 GLN N 1 139 GLN CA 1 139 GLN C -89.30 -29.30 -58.26 -53.78 -56.42 . . 0 "[ . 1]"
264 . 1 139 GLN N 1 139 GLN CA 1 139 GLN C 1 140 ARG N -73.20 -13.20 -35.87 -41.14 -29.58 . . 0 "[ . 1]"
265 . 1 139 GLN C 1 140 ARG N 1 140 ARG CA 1 140 ARG C -91.80 -31.80 -64.22 -47.24 -57.12 . . 0 "[ . 1]"
266 . 1 140 ARG N 1 140 ARG CA 1 140 ARG C 1 141 GLN N -70.30 -10.30 -28.42 -15.89 -24.46 . . 0 "[ . 1]"
267 . 1 140 ARG C 1 141 GLN N 1 141 GLN CA 1 141 GLN C -92.20 -32.20 -69.76 -82.69 -58.32 . . 0 "[ . 1]"
268 . 1 141 GLN N 1 141 GLN CA 1 141 GLN C 1 142 ILE N -70.30 -10.30 -47.45 -59.21 -38.66 . . 0 "[ . 1]"
269 . 1 141 GLN C 1 142 ILE N 1 142 ILE CA 1 142 ILE C -97.00 -37.00 -66.59 -64.53 -65.24 . . 0 "[ . 1]"
270 . 1 142 ILE N 1 142 ILE CA 1 142 ILE C 1 143 LYS N -65.00 -5.00 -25.99 -17.79 -25.26 . . 0 "[ . 1]"
271 . 1 142 ILE C 1 143 LYS N 1 143 LYS CA 1 143 LYS C -104.00 -44.00 -52.93 -58.80 -46.34 . . 0 "[ . 1]"
272 . 1 143 LYS N 1 143 LYS CA 1 143 LYS C 1 144 ASN N -58.00 2.00 -39.08 -54.13 -26.12 . . 0 "[ . 1]"
273 . 1 143 LYS C 1 144 ASN N 1 144 ASN CA 1 144 ASN C -89.90 -29.90 -72.31 -90.40 -43.50 0.50 7 0 "[ . 1]"
274 . 1 144 ASN N 1 144 ASN CA 1 144 ASN C 1 144 ASN OD1 -70.10 -10.10 -67.28 -70.30 -70.44 0.47 1 0 "[ . 1]"
stop_
save_
save_distance_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 20
_TA_constraint_stats_list.Viol_count 9
_TA_constraint_stats_list.Viol_total 47.85
_TA_constraint_stats_list.Viol_max 1.00
_TA_constraint_stats_list.Viol_rms 0.13
_TA_constraint_stats_list.Viol_average_all_restraints 0.02
_TA_constraint_stats_list.Viol_average_violations_only 0.53
_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 12 PHE N 1 12 PHE CA 1 12 PHE CB 1 12 PHE CG -80.00 80.00 -15.40 -15.59 -31.54 . . 0 "[ . 1]"
2 . 1 13 ASN N 1 13 ASN CA 1 13 ASN CB 1 13 ASN CG -80.00 80.00 -7.54 60.65 47.87 . . 0 "[ . 1]"
3 . 1 16 LEU N 1 16 LEU CA 1 16 LEU CB 1 16 LEU CG -80.00 80.00 -65.69 -78.22 -56.27 . . 0 "[ . 1]"
4 . 1 20 LEU N 1 20 LEU CA 1 20 LEU CB 1 20 LEU CG 160.00 -160.00 -176.45 -179.32 178.76 . . 0 "[ . 1]"
5 . 1 14 GLU N 1 14 GLU CA 1 14 GLU CB 1 14 GLU CG -80.00 80.00 -20.89 -72.77 66.90 . . 0 "[ . 1]"
6 . 1 32 PHE N 1 32 PHE CA 1 32 PHE CB 1 32 PHE CG -80.00 80.00 -79.53 -79.98 -80.66 1.00 10 0 "[ . 1]"
7 . 1 49 ARG N 1 49 ARG CA 1 49 ARG CB 1 49 ARG CG 160.00 -160.00 -174.65 176.26 -164.64 . . 0 "[ . 1]"
8 . 1 52 LYS N 1 52 LYS CA 1 52 LYS CB 1 52 LYS CG -80.00 80.00 65.48 74.14 68.80 . . 0 "[ . 1]"
9 . 1 57 PHE N 1 57 PHE CA 1 57 PHE CB 1 57 PHE CG 160.00 -160.00 -173.22 -168.62 -172.91 . . 0 "[ . 1]"
10 . 1 58 ASP N 1 58 ASP CA 1 58 ASP CB 1 58 ASP CG -80.00 80.00 40.82 -57.89 62.76 . . 0 "[ . 1]"
11 . 1 65 ASP N 1 65 ASP CA 1 65 ASP CB 1 65 ASP CG -80.00 80.00 -6.36 -69.48 61.46 . . 0 "[ . 1]"
12 . 1 67 GLN N 1 67 GLN CA 1 67 GLN CB 1 67 GLN CG 160.00 -160.00 -162.39 -161.40 -164.11 0.90 5 0 "[ . 1]"
13 . 1 68 PHE N 1 68 PHE CA 1 68 PHE CB 1 68 PHE CG -80.00 80.00 67.10 75.30 72.42 . . 0 "[ . 1]"
14 . 1 74 GLN N 1 74 GLN CA 1 74 GLN CB 1 74 GLN CG -80.00 80.00 -61.66 -53.16 -60.07 . . 0 "[ . 1]"
15 . 1 82 LEU N 1 82 LEU CA 1 82 LEU CB 1 82 LEU CG -80.00 80.00 -45.85 -53.51 -40.52 . . 0 "[ . 1]"
16 . 1 95 GLN N 1 95 GLN CA 1 95 GLN CB 1 95 GLN CG -80.00 80.00 -60.27 -6.69 -53.55 . . 0 "[ . 1]"
17 . 1 101 ASP N 1 101 ASP CA 1 101 ASP CB 1 101 ASP CG -80.00 80.00 16.84 39.22 31.33 . . 0 "[ . 1]"
18 . 1 104 GLU N 1 104 GLU CA 1 104 GLU CB 1 104 GLU CG -80.00 80.00 -27.69 -70.42 -80.14 0.14 1 0 "[ . 1]"
19 . 1 108 PHE N 1 108 PHE CA 1 108 PHE CB 1 108 PHE CG 160.00 -160.00 -173.37 -169.75 -171.21 . . 0 "[ . 1]"
20 . 1 139 GLN N 1 139 GLN CA 1 139 GLN CB 1 139 GLN CG -80.00 80.00 -65.64 -80.15 -58.58 0.15 10 0 "[ . 1]"
stop_
save_
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