NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
587972 |
2mpe   |
19042 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2mpe
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 144
_TA_constraint_stats_list.Viol_count 347
_TA_constraint_stats_list.Viol_total 4809.07
_TA_constraint_stats_list.Viol_max 3.81
_TA_constraint_stats_list.Viol_rms 0.46
_TA_constraint_stats_list.Viol_average_all_restraints 0.15
_TA_constraint_stats_list.Viol_average_violations_only 0.92
_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 8 ASP C 1 9 THR N 1 9 THR CA 1 9 THR C -81.75 -57.63 -63.75 -65.02 -66.24 . . 0 "[ . 1 .]"
2 . 1 9 THR C 1 10 ALA N 1 10 ALA CA 1 10 ALA C -69.48 -54.72 -63.34 -63.08 -63.33 . . 0 "[ . 1 .]"
3 . 1 10 ALA C 1 11 ARG N 1 11 ARG CA 1 11 ARG C -69.73 -56.73 -67.31 -70.74 -63.17 1.01 2 0 "[ . 1 .]"
4 . 1 11 ARG C 1 12 ARG N 1 12 ARG CA 1 12 ARG C -77.04 -57.80 -64.35 -68.64 -57.17 0.63 15 0 "[ . 1 .]"
5 . 1 12 ARG C 1 13 PHE N 1 13 PHE CA 1 13 PHE C -71.37 -62.51 -65.22 -65.91 -66.48 0.33 9 0 "[ . 1 .]"
6 . 1 13 PHE C 1 14 ASP N 1 14 ASP CA 1 14 ASP C -88.09 -47.67 -59.85 -65.51 -52.33 . . 0 "[ . 1 .]"
7 . 1 15 THR C 1 16 GLU N 1 16 GLU CA 1 16 GLU C -94.34 -43.02 -94.58 -94.53 -95.19 3.81 12 0 "[ . 1 .]"
8 . 1 16 GLU C 1 17 PHE N 1 17 PHE CA 1 17 PHE C -109.37 -66.03 -94.68 -107.24 -81.33 . . 0 "[ . 1 .]"
9 . 1 18 ALA C 1 19 PRO N 1 19 PRO CA 1 19 PRO C -64.42 -50.20 -60.92 -60.32 -61.49 0.71 10 0 "[ . 1 .]"
10 . 1 19 PRO C 1 20 ARG N 1 20 ARG CA 1 20 ARG C -75.33 -57.51 -71.79 -75.04 -67.84 . . 0 "[ . 1 .]"
11 . 1 20 ARG C 1 21 ILE N 1 21 ILE CA 1 21 ILE C -74.84 -46.28 -66.84 -67.93 -69.21 . . 0 "[ . 1 .]"
12 . 1 21 ILE C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -71.52 -53.94 -60.63 -63.73 -56.77 . . 0 "[ . 1 .]"
13 . 1 22 ALA C 1 23 ARG N 1 23 ARG CA 1 23 ARG C -70.65 -63.09 -69.82 -70.94 -71.13 0.69 5 0 "[ . 1 .]"
14 . 1 23 ARG C 1 24 ALA N 1 24 ALA CA 1 24 ALA C -70.26 -53.34 -64.42 -63.17 -63.90 . . 0 "[ . 1 .]"
15 . 1 24 ALA C 1 25 ILE N 1 25 ILE CA 1 25 ILE C -71.97 -57.05 -64.56 -65.00 -65.69 . . 0 "[ . 1 .]"
16 . 1 25 ILE C 1 26 ALA N 1 26 ALA CA 1 26 ALA C -65.76 -58.12 -59.68 -61.15 -58.45 . . 0 "[ . 1 .]"
17 . 1 26 ALA C 1 27 ASP N 1 27 ASP CA 1 27 ASP C -70.73 -57.93 -70.28 -71.28 -71.34 0.74 8 0 "[ . 1 .]"
18 . 1 27 ASP C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -74.20 -57.16 -68.05 -66.57 -67.11 . . 0 "[ . 1 .]"
19 . 1 28 LEU C 1 29 LEU N 1 29 LEU CA 1 29 LEU C -114.52 -64.78 -88.90 -78.97 -85.61 . . 0 "[ . 1 .]"
20 . 1 31 HIS C 1 32 ARG N 1 32 ARG CA 1 32 ARG C -125.05 -57.73 -80.87 -98.08 -67.25 . . 0 "[ . 1 .]"
21 . 1 32 ARG C 1 33 ALA N 1 33 ALA CA 1 33 ALA C -161.08 -104.02 -124.70 -148.41 -106.10 . . 0 "[ . 1 .]"
22 . 1 33 ALA C 1 34 HIS N 1 34 HIS CA 1 34 HIS C -133.52 -86.62 -103.26 -110.34 -89.56 . . 0 "[ . 1 .]"
23 . 1 34 HIS C 1 35 THR N 1 35 THR CA 1 35 THR C -158.17 -112.53 -111.38 -112.16 -110.89 1.64 12 0 "[ . 1 .]"
24 . 1 39 GLY C 1 40 TYR N 1 40 TYR CA 1 40 TYR C -86.22 -45.64 -74.85 -66.02 -68.48 1.05 3 0 "[ . 1 .]"
25 . 1 46 PRO C 1 47 THR N 1 47 THR CA 1 47 THR C -94.68 -60.76 -69.47 -67.06 -72.71 0.43 10 0 "[ . 1 .]"
26 . 1 48 GLN C 1 49 VAL N 1 49 VAL CA 1 49 VAL C -120.98 -91.30 -114.06 -118.91 -107.46 . . 0 "[ . 1 .]"
27 . 1 49 VAL C 1 50 ARG N 1 50 ARG CA 1 50 ARG C -147.13 -87.49 -100.83 -94.99 -96.99 . . 0 "[ . 1 .]"
28 . 1 50 ARG C 1 51 ILE N 1 51 ILE CA 1 51 ILE C -138.82 -109.84 -110.29 -112.56 -117.19 1.20 10 0 "[ . 1 .]"
29 . 1 51 ILE C 1 52 VAL N 1 52 VAL CA 1 52 VAL C -134.06 -113.20 -116.96 -115.65 -116.23 0.61 7 0 "[ . 1 .]"
30 . 1 61 GLY C 1 62 TYR N 1 62 TYR CA 1 62 TYR C -103.16 -67.56 -100.27 -103.51 -103.71 1.86 14 0 "[ . 1 .]"
31 . 1 65 PRO C 1 66 LEU N 1 66 LEU CA 1 66 LEU C -125.19 -53.85 -66.87 -85.96 -58.80 . . 0 "[ . 1 .]"
32 . 1 66 LEU C 1 67 ASN N 1 67 ASN CA 1 67 ASN C -168.25 -53.71 -141.89 -152.38 -134.42 . . 0 "[ . 1 .]"
33 . 1 67 ASN C 1 68 LEU N 1 68 LEU CA 1 68 LEU C -144.86 -84.80 -114.48 -146.54 -103.47 1.68 5 0 "[ . 1 .]"
34 . 1 68 LEU C 1 69 ALA N 1 69 ALA CA 1 69 ALA C -133.87 -116.63 -114.76 -115.76 -113.63 3.00 8 0 "[ . 1 .]"
35 . 1 69 ALA C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -142.69 -76.25 -96.57 -122.91 -89.18 . . 0 "[ . 1 .]"
36 . 1 70 LEU C 1 71 THR N 1 71 THR CA 1 71 THR C -169.18 -113.90 -125.30 -129.21 -131.40 . . 0 "[ . 1 .]"
37 . 1 71 THR C 1 72 TRP N 1 72 TRP CA 1 72 TRP C -164.01 -101.67 -125.72 -128.17 -130.87 . . 0 "[ . 1 .]"
38 . 1 72 TRP C 1 73 ASN N 1 73 ASN CA 1 73 ASN C -108.28 -57.34 -60.93 -63.74 -64.08 0.07 10 0 "[ . 1 .]"
39 . 1 73 ASN C 1 74 THR N 1 74 THR CA 1 74 THR C -60.37 -50.83 -59.32 -60.69 -60.75 0.62 6 0 "[ . 1 .]"
40 . 1 74 THR C 1 75 ASP N 1 75 ASP CA 1 75 ASP C -69.28 -48.14 -63.22 -69.78 -57.42 0.50 8 0 "[ . 1 .]"
41 . 1 75 ASP C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -78.40 -58.54 -59.49 -59.28 -60.43 2.18 10 0 "[ . 1 .]"
42 . 1 76 GLU C 1 77 ILE N 1 77 ILE CA 1 77 ILE C -72.83 -58.85 -58.42 -60.51 -55.87 2.98 5 0 "[ . 1 .]"
43 . 1 77 ILE C 1 78 GLU N 1 78 GLU CA 1 78 GLU C -73.07 -56.33 -62.09 -56.04 -57.94 0.29 2 0 "[ . 1 .]"
44 . 1 78 GLU C 1 79 ARG N 1 79 ARG CA 1 79 ARG C -71.66 -54.90 -63.78 -70.42 -54.75 0.15 9 0 "[ . 1 .]"
45 . 1 79 ARG C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -93.06 -49.64 -66.07 -72.28 -62.09 . . 0 "[ . 1 .]"
46 . 1 80 LEU C 1 81 MET N 1 81 MET CA 1 81 MET C -120.61 -65.47 -77.37 -87.32 -66.55 . . 0 "[ . 1 .]"
47 . 1 85 GLY C 1 86 ALA N 1 86 ALA CA 1 86 ALA C -77.61 -56.87 -56.74 -62.07 -55.39 1.48 4 0 "[ . 1 .]"
48 . 1 86 ALA C 1 87 ALA N 1 87 ALA CA 1 87 ALA C -70.54 -61.56 -62.65 -62.78 -64.34 0.92 6 0 "[ . 1 .]"
49 . 1 87 ALA C 1 88 ARG N 1 88 ARG CA 1 88 ARG C -71.83 -56.41 -69.55 -72.91 -65.91 1.08 12 0 "[ . 1 .]"
50 . 1 88 ARG C 1 89 PHE N 1 89 PHE CA 1 89 PHE C -70.08 -59.28 -63.88 -63.39 -65.14 0.25 5 0 "[ . 1 .]"
51 . 1 89 PHE C 1 90 GLU N 1 90 GLU CA 1 90 GLU C -67.59 -52.57 -63.61 -66.55 -59.04 . . 0 "[ . 1 .]"
52 . 1 91 ARG C 1 92 TYR N 1 92 TYR CA 1 92 TYR C -83.02 -52.10 -74.51 -78.26 -70.37 . . 0 "[ . 1 .]"
53 . 1 92 TYR C 1 93 LEU N 1 93 LEU CA 1 93 LEU C -71.88 -50.34 -63.32 -63.69 -63.81 . . 0 "[ . 1 .]"
54 . 1 93 LEU C 1 94 ALA N 1 94 ALA CA 1 94 ALA C -75.53 -52.69 -69.11 -75.68 -65.41 0.15 9 0 "[ . 1 .]"
55 . 1 95 ALA C 1 96 LEU N 1 96 LEU CA 1 96 LEU C -66.42 -46.30 -51.08 -52.20 -53.35 . . 0 "[ . 1 .]"
56 . 1 98 ARG C 1 99 LYS N 1 99 LYS CA 1 99 LYS C -71.57 -60.57 -71.14 -70.69 -72.99 3.07 9 0 "[ . 1 .]"
57 . 1 100 LEU C 1 101 ALA N 1 101 ALA CA 1 101 ALA C -67.71 -58.37 -62.37 -62.01 -63.43 0.40 11 0 "[ . 1 .]"
58 . 1 101 ALA C 1 102 ALA N 1 102 ALA CA 1 102 ALA C -79.73 -53.69 -66.19 -64.06 -64.64 . . 0 "[ . 1 .]"
59 . 1 103 TRP C 1 104 GLU N 1 104 GLU CA 1 104 GLU C -69.95 -56.69 -59.55 -63.27 -57.11 . . 0 "[ . 1 .]"
60 . 1 104 GLU C 1 105 ASN N 1 105 ASN CA 1 105 ASN C -79.42 -59.14 -68.17 -64.63 -66.30 . . 0 "[ . 1 .]"
61 . 1 105 ASN C 1 106 ALA N 1 106 ALA CA 1 106 ALA C -89.37 -57.01 -83.62 -79.76 -81.09 0.28 15 0 "[ . 1 .]"
62 . 1 106 ALA C 1 107 ARG N 1 107 ARG CA 1 107 ARG C -118.44 -93.98 -99.66 -117.88 -92.88 1.10 13 0 "[ . 1 .]"
63 . 1 107 ARG C 1 108 GLY N 1 108 GLY CA 1 108 GLY C 51.07 91.87 73.07 75.78 73.82 . . 0 "[ . 1 .]"
64 . 1 108 GLY C 1 109 VAL N 1 109 VAL CA 1 109 VAL C -140.34 -89.58 -122.13 -121.86 -122.44 . . 0 "[ . 1 .]"
65 . 1 114 ARG C 1 115 THR N 1 115 THR CA 1 115 THR C -151.29 -114.47 -134.09 -147.61 -120.80 . . 0 "[ . 1 .]"
66 . 1 118 ASP C 1 119 ALA N 1 119 ALA CA 1 119 ALA C -96.61 -72.91 -78.46 -75.65 -77.15 0.30 12 0 "[ . 1 .]"
67 . 1 119 ALA C 1 120 LEU N 1 120 LEU CA 1 120 LEU C -167.08 -112.06 -163.89 -170.40 -126.40 3.32 8 0 "[ . 1 .]"
68 . 1 121 VAL C 1 122 LEU N 1 122 LEU CA 1 122 LEU C -121.85 -78.05 -106.19 -110.06 -99.27 . . 0 "[ . 1 .]"
69 . 1 122 LEU C 1 123 LEU N 1 123 LEU CA 1 123 LEU C -146.46 -69.70 -103.00 -98.58 -125.14 . . 0 "[ . 1 .]"
70 . 1 123 LEU C 1 124 GLY N 1 124 GLY CA 1 124 GLY C -164.05 -79.65 -112.12 -118.30 -104.33 . . 0 "[ . 1 .]"
71 . 1 124 GLY C 1 125 GLY N 1 125 GLY CA 1 125 GLY C 55.99 112.45 73.17 67.14 79.50 . . 0 "[ . 1 .]"
72 . 1 128 PHE C 1 129 GLU N 1 129 GLU CA 1 129 GLU C -99.13 -52.47 -84.71 -99.85 -69.80 0.72 6 0 "[ . 1 .]"
73 . 1 9 THR N 1 9 THR CA 1 9 THR C 1 10 ALA N -51.02 -30.44 -46.65 -43.46 -44.84 0.05 4 0 "[ . 1 .]"
74 . 1 10 ALA N 1 10 ALA CA 1 10 ALA C 1 11 ARG N -50.78 -38.28 -40.05 -45.36 -37.69 0.59 14 0 "[ . 1 .]"
75 . 1 11 ARG N 1 11 ARG CA 1 11 ARG C 1 12 ARG N -46.01 -34.61 -40.42 -38.20 -39.85 2.43 15 0 "[ . 1 .]"
76 . 1 12 ARG N 1 12 ARG CA 1 12 ARG C 1 13 PHE N -48.81 -20.37 -41.16 -40.49 -41.51 0.79 15 0 "[ . 1 .]"
77 . 1 13 PHE N 1 13 PHE CA 1 13 PHE C 1 14 ASP N -48.94 -37.84 -43.36 -45.51 -47.10 . . 0 "[ . 1 .]"
78 . 1 14 ASP N 1 14 ASP CA 1 14 ASP C 1 15 THR N -59.09 -18.77 -38.21 -37.57 -38.49 . . 0 "[ . 1 .]"
79 . 1 15 THR N 1 15 THR CA 1 15 THR C 1 16 GLU N -58.27 13.73 -41.65 -38.06 -40.12 . . 0 "[ . 1 .]"
80 . 1 16 GLU N 1 16 GLU CA 1 16 GLU C 1 17 PHE N -43.40 18.94 -44.33 -39.91 -43.10 3.18 12 0 "[ . 1 .]"
81 . 1 19 PRO N 1 19 PRO CA 1 19 PRO C 1 20 ARG N -50.46 -12.80 -28.92 -34.60 -20.60 . . 0 "[ . 1 .]"
82 . 1 20 ARG N 1 20 ARG CA 1 20 ARG C 1 21 ILE N -48.23 -26.19 -39.14 -33.29 -37.96 . . 0 "[ . 1 .]"
83 . 1 21 ILE N 1 21 ILE CA 1 21 ILE C 1 22 ALA N -56.60 -35.02 -47.95 -48.09 -48.80 . . 0 "[ . 1 .]"
84 . 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 ARG N -51.63 -31.73 -41.46 -46.60 -47.11 . . 0 "[ . 1 .]"
85 . 1 23 ARG N 1 23 ARG CA 1 23 ARG C 1 24 ALA N -48.93 -32.37 -39.98 -36.03 -37.42 . . 0 "[ . 1 .]"
86 . 1 24 ALA N 1 24 ALA CA 1 24 ALA C 1 25 ILE N -46.39 -34.27 -44.72 -47.08 -41.54 0.69 9 0 "[ . 1 .]"
87 . 1 25 ILE N 1 25 ILE CA 1 25 ILE C 1 26 ALA N -51.37 -36.01 -44.83 -44.93 -45.60 . . 0 "[ . 1 .]"
88 . 1 26 ALA N 1 26 ALA CA 1 26 ALA C 1 27 ASP N -47.21 -33.59 -39.75 -40.05 -42.12 . . 0 "[ . 1 .]"
89 . 1 27 ASP N 1 27 ASP CA 1 27 ASP C 1 28 LEU N -47.32 -31.06 -37.10 -41.81 -31.59 . . 0 "[ . 1 .]"
90 . 1 28 LEU N 1 28 LEU CA 1 28 LEU C 1 29 LEU N -44.09 -12.63 -34.82 -39.29 -25.82 . . 0 "[ . 1 .]"
91 . 1 29 LEU N 1 29 LEU CA 1 29 LEU C 1 30 ASN N -18.49 16.55 8.99 10.61 10.04 1.53 15 0 "[ . 1 .]"
92 . 1 32 ARG N 1 32 ARG CA 1 32 ARG C 1 33 ALA N -63.85 27.31 -19.64 4.53 -5.69 . . 0 "[ . 1 .]"
93 . 1 33 ALA N 1 33 ALA CA 1 33 ALA C 1 34 HIS N 129.20 178.60 151.02 150.85 147.12 . . 0 "[ . 1 .]"
94 . 1 34 HIS N 1 34 HIS CA 1 34 HIS C 1 35 THR N 109.73 157.15 133.13 124.47 142.81 . . 0 "[ . 1 .]"
95 . 1 35 THR N 1 35 THR CA 1 35 THR C 1 36 ASP N 138.28 170.96 142.55 140.86 140.15 0.37 11 0 "[ . 1 .]"
96 . 1 40 TYR N 1 40 TYR CA 1 40 TYR C 1 41 GLY N 114.53 142.31 119.66 113.16 142.36 1.37 14 0 "[ . 1 .]"
97 . 1 47 THR N 1 47 THR CA 1 47 THR C 1 48 GLN N 122.76 144.30 133.43 122.61 144.38 0.15 7 0 "[ . 1 .]"
98 . 1 49 VAL N 1 49 VAL CA 1 49 VAL C 1 50 ARG N 120.49 133.87 121.69 118.49 125.26 2.00 6 0 "[ . 1 .]"
99 . 1 50 ARG N 1 50 ARG CA 1 50 ARG C 1 51 ILE N 108.54 176.36 137.51 131.31 142.51 . . 0 "[ . 1 .]"
100 . 1 51 ILE N 1 51 ILE CA 1 51 ILE C 1 52 VAL N 112.63 149.03 114.68 112.05 120.65 0.58 2 0 "[ . 1 .]"
101 . 1 52 VAL N 1 52 VAL CA 1 52 VAL C 1 53 ALA N 124.69 152.89 135.75 124.60 143.86 0.09 4 0 "[ . 1 .]"
102 . 1 62 TYR N 1 62 TYR CA 1 62 TYR C 1 63 ALA N 124.58 175.14 135.93 154.89 146.86 1.48 5 0 "[ . 1 .]"
103 . 1 66 LEU N 1 66 LEU CA 1 66 LEU C 1 67 ASN N 116.82 168.14 121.17 115.66 130.61 1.16 9 0 "[ . 1 .]"
104 . 1 67 ASN N 1 67 ASN CA 1 67 ASN C 1 68 LEU N 64.09 174.57 99.66 94.04 93.53 . . 0 "[ . 1 .]"
105 . 1 68 LEU N 1 68 LEU CA 1 68 LEU C 1 69 ALA N 119.28 157.86 132.23 132.45 131.42 . . 0 "[ . 1 .]"
106 . 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 LEU N 100.80 138.34 112.58 111.38 109.07 0.49 11 0 "[ . 1 .]"
107 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 THR N 101.37 164.43 118.85 111.69 125.75 . . 0 "[ . 1 .]"
108 . 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 TRP N 151.31 168.27 149.70 149.02 150.97 2.29 8 0 "[ . 1 .]"
109 . 1 72 TRP N 1 72 TRP CA 1 72 TRP C 1 73 ASN N 111.48 165.66 153.48 153.66 152.92 . . 0 "[ . 1 .]"
110 . 1 73 ASN N 1 73 ASN CA 1 73 ASN C 1 74 THR N 80.02 162.28 129.28 131.05 130.18 . . 0 "[ . 1 .]"
111 . 1 74 THR N 1 74 THR CA 1 74 THR C 1 75 ASP N -62.09 -28.37 -28.96 -32.81 -26.75 1.62 14 0 "[ . 1 .]"
112 . 1 75 ASP N 1 75 ASP CA 1 75 ASP C 1 76 GLU N -50.64 -34.98 -46.84 -46.48 -47.62 0.59 9 0 "[ . 1 .]"
113 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 ILE N -51.99 -27.63 -41.72 -47.95 -32.89 . . 0 "[ . 1 .]"
114 . 1 77 ILE N 1 77 ILE CA 1 77 ILE C 1 78 GLU N -48.73 -35.59 -44.00 -47.94 -39.75 . . 0 "[ . 1 .]"
115 . 1 78 GLU N 1 78 GLU CA 1 78 GLU C 1 79 ARG N -52.27 -30.43 -39.93 -48.53 -33.66 . . 0 "[ . 1 .]"
116 . 1 79 ARG N 1 79 ARG CA 1 79 ARG C 1 80 LEU N -49.18 -29.80 -28.72 -27.87 -28.17 2.81 13 0 "[ . 1 .]"
117 . 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 MET N -50.56 -5.26 -15.58 -15.59 -17.02 . . 0 "[ . 1 .]"
118 . 1 81 MET N 1 81 MET CA 1 81 MET C 1 82 GLU N -17.20 25.80 -9.99 -12.69 -14.34 1.07 3 0 "[ . 1 .]"
119 . 1 86 ALA N 1 86 ALA CA 1 86 ALA C 1 87 ALA N -59.24 -24.82 -37.79 -35.50 -36.46 . . 0 "[ . 1 .]"
120 . 1 87 ALA N 1 87 ALA CA 1 87 ALA C 1 88 ARG N -47.32 -32.86 -36.03 -39.88 -32.02 0.84 1 0 "[ . 1 .]"
121 . 1 88 ARG N 1 88 ARG CA 1 88 ARG C 1 89 PHE N -45.41 -30.83 -35.66 -38.53 -40.21 . . 0 "[ . 1 .]"
122 . 1 89 PHE N 1 89 PHE CA 1 89 PHE C 1 90 GLU N -48.79 -38.11 -41.24 -40.63 -41.02 0.34 11 0 "[ . 1 .]"
123 . 1 90 GLU N 1 90 GLU CA 1 90 GLU C 1 91 ARG N -51.57 -33.65 -40.56 -45.76 -34.77 . . 0 "[ . 1 .]"
124 . 1 92 TYR N 1 92 TYR CA 1 92 TYR C 1 93 LEU N -57.37 -25.95 -34.74 -37.21 -38.14 . . 0 "[ . 1 .]"
125 . 1 93 LEU N 1 93 LEU CA 1 93 LEU C 1 94 ALA N -54.40 -27.72 -40.11 -46.21 -33.60 . . 0 "[ . 1 .]"
126 . 1 94 ALA N 1 94 ALA CA 1 94 ALA C 1 95 ALA N -48.55 -18.91 -20.45 -18.85 -20.13 1.41 14 0 "[ . 1 .]"
127 . 1 96 LEU N 1 96 LEU CA 1 96 LEU C 1 97 PRO N -55.28 -27.26 -51.28 -49.33 -50.55 . . 0 "[ . 1 .]"
128 . 1 99 LYS N 1 99 LYS CA 1 99 LYS C 1 100 LEU N -49.85 -28.59 -38.80 -46.68 -31.59 . . 0 "[ . 1 .]"
129 . 1 101 ALA N 1 101 ALA CA 1 101 ALA C 1 102 ALA N -50.08 -31.32 -35.47 -43.00 -31.11 0.21 14 0 "[ . 1 .]"
130 . 1 102 ALA N 1 102 ALA CA 1 102 ALA C 1 103 TRP N -49.75 -32.51 -43.06 -48.27 -37.60 . . 0 "[ . 1 .]"
131 . 1 104 GLU N 1 104 GLU CA 1 104 GLU C 1 105 ASN N -50.18 -30.90 -51.15 -50.64 -51.13 2.01 9 0 "[ . 1 .]"
132 . 1 105 ASN N 1 105 ASN CA 1 105 ASN C 1 106 ALA N -54.68 -9.32 -37.26 -37.64 -38.92 . . 0 "[ . 1 .]"
133 . 1 106 ALA N 1 106 ALA CA 1 106 ALA C 1 107 ARG N -46.86 -15.18 -41.77 -48.29 -22.04 1.43 13 0 "[ . 1 .]"
134 . 1 107 ARG N 1 107 ARG CA 1 107 ARG C 1 108 GLY N -8.23 23.43 -1.10 -6.59 6.18 . . 0 "[ . 1 .]"
135 . 1 108 GLY N 1 108 GLY CA 1 108 GLY C 1 109 VAL N 5.01 51.63 48.77 45.08 43.19 1.11 6 0 "[ . 1 .]"
136 . 1 109 VAL N 1 109 VAL CA 1 109 VAL C 1 110 ASP N 109.26 168.44 141.43 141.43 141.36 . . 0 "[ . 1 .]"
137 . 1 115 THR N 1 115 THR CA 1 115 THR C 1 116 GLN N 150.05 -171.63 169.07 159.71 178.80 . . 0 "[ . 1 .]"
138 . 1 119 ALA N 1 119 ALA CA 1 119 ALA C 1 120 LEU N -68.43 -8.91 -37.44 -37.57 -41.63 . . 0 "[ . 1 .]"
139 . 1 120 LEU N 1 120 LEU CA 1 120 LEU C 1 121 VAL N 127.56 148.42 129.75 123.97 141.48 3.59 11 0 "[ . 1 .]"
140 . 1 122 LEU N 1 122 LEU CA 1 122 LEU C 1 123 LEU N 102.66 133.84 113.90 102.44 135.53 1.69 12 0 "[ . 1 .]"
141 . 1 123 LEU N 1 123 LEU CA 1 123 LEU C 1 124 GLY N 69.90 -177.42 111.14 108.00 105.54 . . 0 "[ . 1 .]"
142 . 1 124 GLY N 1 124 GLY CA 1 124 GLY C 1 125 GLY N 97.27 -167.87 165.00 162.30 160.89 . . 0 "[ . 1 .]"
143 . 1 125 GLY N 1 125 GLY CA 1 125 GLY C 1 126 LEU N -15.70 32.48 24.62 15.98 33.52 1.04 13 0 "[ . 1 .]"
144 . 1 129 GLU N 1 129 GLU CA 1 129 GLU C 1 130 ALA N 106.61 161.63 119.41 104.53 146.52 2.08 14 0 "[ . 1 .]"
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