Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
458968 | 2kue RC | 16733 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2kue
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 186
_TA_constraint_stats_list.Viol_count 1841
_TA_constraint_stats_list.Viol_total 47361.85
_TA_constraint_stats_list.Viol_max 4.81
_TA_constraint_stats_list.Viol_rms 0.59
_TA_constraint_stats_list.Viol_average_all_restraints 0.28
_TA_constraint_stats_list.Viol_average_violations_only 0.86
_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 4 GLY C 1 5 PRO N 1 5 PRO CA 1 5 PRO C -78.00 -60.00 -69.19 -71.12 -72.00 0.49 10 0 "[ . 1 . 2 . 3]"
2 . 1 6 GLU C 1 7 GLN N 1 7 GLN CA 1 7 GLN C -140.00 -84.00 -98.32 -90.84 -94.48 1.33 22 0 "[ . 1 . 2 . 3]"
3 . 1 7 GLN C 1 8 ARG N 1 8 ARG CA 1 8 ARG C -150.40 -121.20 -126.67 -120.26 -120.51 1.02 2 0 "[ . 1 . 2 . 3]"
4 . 1 8 ARG C 1 9 GLU N 1 9 GLU CA 1 9 GLU C -119.90 -83.50 -86.06 -95.14 -82.23 1.27 5 0 "[ . 1 . 2 . 3]"
5 . 1 9 GLU C 1 10 ILE N 1 10 ILE CA 1 10 ILE C -110.00 -80.00 -82.43 -87.85 -89.98 2.47 30 0 "[ . 1 . 2 . 3]"
6 . 1 10 ILE C 1 11 PRO N 1 11 PRO CA 1 11 PRO C -72.00 -54.00 -65.33 -55.34 -57.45 1.38 17 0 "[ . 1 . 2 . 3]"
7 . 1 14 SER C 1 15 THR N 1 15 THR CA 1 15 THR C -71.00 -57.00 -60.54 -62.07 -62.11 0.57 26 0 "[ . 1 . 2 . 3]"
8 . 1 15 THR C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -90.00 -58.00 -83.10 -83.37 -83.59 0.77 18 0 "[ . 1 . 2 . 3]"
9 . 1 17 THR C 1 18 TYR N 1 18 TYR CA 1 18 TYR C -72.00 -51.00 -53.14 -59.29 -50.37 0.63 14 0 "[ . 1 . 2 . 3]"
10 . 1 18 TYR C 1 19 ALA N 1 19 ALA CA 1 19 ALA C -65.00 -55.60 -56.64 -56.19 -56.52 0.50 29 0 "[ . 1 . 2 . 3]"
11 . 1 19 ALA C 1 20 GLU N 1 20 GLU CA 1 20 GLU C -70.40 -61.80 -64.54 -70.98 -61.04 0.76 22 0 "[ . 1 . 2 . 3]"
12 . 1 20 GLU C 1 21 ALA N 1 21 ALA CA 1 21 ALA C -71.30 -60.70 -61.99 -72.22 -59.54 1.16 27 0 "[ . 1 . 2 . 3]"
13 . 1 21 ALA C 1 22 VAL N 1 22 VAL CA 1 22 VAL C -66.60 -59.00 -62.00 -63.75 -64.56 0.45 15 0 "[ . 1 . 2 . 3]"
14 . 1 22 VAL C 1 23 LYS N 1 23 LYS CA 1 23 LYS C -66.40 -61.00 -63.07 -63.86 -64.78 0.77 12 0 "[ . 1 . 2 . 3]"
15 . 1 23 LYS C 1 24 LYS N 1 24 LYS CA 1 24 LYS C -66.10 -62.30 -67.15 -67.38 -67.65 2.40 8 0 "[ . 1 . 2 . 3]"
16 . 1 24 LYS C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -68.40 -63.40 -68.39 -68.58 -68.65 1.30 20 0 "[ . 1 . 2 . 3]"
17 . 1 25 LEU C 1 26 THR N 1 26 THR CA 1 26 THR C -69.30 -59.50 -61.84 -65.66 -59.28 0.22 16 0 "[ . 1 . 2 . 3]"
18 . 1 26 THR C 1 27 ALA N 1 27 ALA CA 1 27 ALA C -70.60 -61.00 -70.46 -71.45 -66.87 0.85 10 0 "[ . 1 . 2 . 3]"
19 . 1 27 ALA C 1 28 ALA N 1 28 ALA CA 1 28 ALA C -90.00 -80.00 -81.54 -86.65 -79.33 0.67 27 0 "[ . 1 . 2 . 3]"
20 . 1 31 GLY C 1 32 ARG N 1 32 ARG CA 1 32 ARG C -132.50 -103.10 -116.10 -104.37 -109.45 0.60 5 0 "[ . 1 . 2 . 3]"
21 . 1 32 ARG C 1 33 PHE N 1 33 PHE CA 1 33 PHE C -146.40 -114.20 -136.67 -130.40 -130.82 2.33 16 0 "[ . 1 . 2 . 3]"
22 . 1 33 PHE C 1 34 LYS N 1 34 LYS CA 1 34 LYS C -162.80 -131.80 -135.66 -132.14 -133.55 1.59 15 0 "[ . 1 . 2 . 3]"
23 . 1 34 LYS C 1 35 GLN N 1 35 GLN CA 1 35 GLN C -121.60 -81.20 -96.93 -105.32 -108.26 . . 0 "[ . 1 . 2 . 3]"
24 . 1 35 GLN C 1 36 ALA N 1 36 ALA CA 1 36 ALA C -155.30 -117.30 -128.12 -139.93 -140.30 0.25 20 0 "[ . 1 . 2 . 3]"
25 . 1 36 ALA C 1 37 ASN N 1 37 ASN CA 1 37 ASN C -137.80 -114.40 -126.12 -127.92 -130.21 0.79 12 0 "[ . 1 . 2 . 3]"
26 . 1 37 ASN C 1 38 SER N 1 38 SER CA 1 38 SER C -152.50 -117.30 -133.53 -144.52 -116.44 0.86 29 0 "[ . 1 . 2 . 3]"
27 . 1 38 SER C 1 39 PRO N 1 39 PRO CA 1 39 PRO C -124.00 -66.00 -65.75 -70.63 -64.41 1.59 1 0 "[ . 1 . 2 . 3]"
28 . 1 39 PRO C 1 40 SER N 1 40 SER CA 1 40 SER C -152.00 -118.00 -142.35 -142.06 -142.78 0.27 17 0 "[ . 1 . 2 . 3]"
29 . 1 41 THR C 1 42 PRO N 1 42 PRO CA 1 42 PRO C -68.00 -52.00 -51.18 -52.57 -56.33 3.20 9 0 "[ . 1 . 2 . 3]"
30 . 1 42 PRO C 1 43 GLU N 1 43 GLU CA 1 43 GLU C -75.00 -59.00 -69.46 -63.97 -64.98 2.58 10 0 "[ . 1 . 2 . 3]"
31 . 1 43 GLU C 1 44 LEU N 1 44 LEU CA 1 44 LEU C -114.30 -83.10 -101.44 -107.29 -108.49 . . 0 "[ . 1 . 2 . 3]"
32 . 1 44 LEU C 1 45 VAL N 1 45 VAL CA 1 45 VAL C -60.00 -52.00 -60.12 -61.51 -52.86 1.51 9 0 "[ . 1 . 2 . 3]"
33 . 1 45 VAL C 1 46 GLY N 1 46 GLY CA 1 46 GLY C 74.00 100.00 92.18 77.48 101.05 1.05 10 0 "[ . 1 . 2 . 3]"
34 . 1 46 GLY C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -140.00 -92.00 -106.96 -100.55 -101.67 0.21 30 0 "[ . 1 . 2 . 3]"
35 . 1 47 LYS C 1 48 VAL N 1 48 VAL CA 1 48 VAL C -81.10 -67.30 -82.17 -82.96 -81.39 1.86 30 0 "[ . 1 . 2 . 3]"
36 . 1 48 VAL C 1 49 ILE N 1 49 ILE CA 1 49 ILE C -117.00 -99.00 -98.88 -99.51 -101.04 2.04 15 0 "[ . 1 . 2 . 3]"
37 . 1 50 GLY C 1 51 THR N 1 51 THR CA 1 51 THR C -143.00 -117.00 -121.22 -117.64 -118.70 0.53 22 0 "[ . 1 . 2 . 3]"
38 . 1 53 PRO C 1 54 PRO N 1 54 PRO CA 1 54 PRO C -75.00 -63.00 -66.68 -72.69 -75.11 1.73 8 0 "[ . 1 . 2 . 3]"
39 . 1 55 ALA C 1 56 ASN N 1 56 ASN CA 1 56 ASN C -101.00 -63.00 -90.99 -92.92 -94.56 2.37 5 0 "[ . 1 . 2 . 3]"
40 . 1 58 THR C 1 59 SER N 1 59 SER CA 1 59 SER C -143.00 -101.00 -114.48 -122.20 -124.30 0.56 18 0 "[ . 1 . 2 . 3]"
41 . 1 60 ALA C 1 61 ILE N 1 61 ILE CA 1 61 ILE C -92.00 -58.00 -61.51 -62.10 -65.10 0.98 21 0 "[ . 1 . 2 . 3]"
42 . 1 62 THR C 1 63 ASN N 1 63 ASN CA 1 63 ASN C -120.00 -74.00 -82.89 -98.60 -73.44 0.56 27 0 "[ . 1 . 2 . 3]"
43 . 1 63 ASN C 1 64 VAL N 1 64 VAL CA 1 64 VAL C -108.00 -80.00 -87.03 -80.55 -82.03 0.66 22 0 "[ . 1 . 2 . 3]"
44 . 1 64 VAL C 1 65 VAL N 1 65 VAL CA 1 65 VAL C -128.00 -88.00 -90.31 -97.44 -86.63 1.37 10 0 "[ . 1 . 2 . 3]"
45 . 1 65 VAL C 1 66 ILE N 1 66 ILE CA 1 66 ILE C -119.00 -93.00 -95.10 -93.87 -94.44 2.16 10 0 "[ . 1 . 2 . 3]"
46 . 1 66 ILE C 1 67 ILE N 1 67 ILE CA 1 67 ILE C -120.00 -90.00 -107.04 -117.06 -100.46 . . 0 "[ . 1 . 2 . 3]"
47 . 1 67 ILE C 1 68 ILE N 1 68 ILE CA 1 68 ILE C -114.00 -92.00 -102.71 -105.46 -106.48 . . 0 "[ . 1 . 2 . 3]"
48 . 1 68 ILE C 1 69 VAL N 1 69 VAL CA 1 69 VAL C -139.00 -97.00 -97.05 -96.21 -96.21 1.28 4 0 "[ . 1 . 2 . 3]"
49 . 1 70 GLY C 1 71 SER N 1 71 SER CA 1 71 SER C -142.00 -96.00 -117.11 -140.91 -95.80 0.20 12 0 "[ . 1 . 2 . 3]"
50 . 1 72 GLY C 1 73 PRO N 1 73 PRO CA 1 73 PRO C -104.00 -54.00 -67.56 -71.28 -71.80 . . 0 "[ . 1 . 2 . 3]"
51 . 1 74 ALA C 1 75 THR N 1 75 THR CA 1 75 THR C -174.00 -118.00 -131.88 -140.41 -119.89 . . 0 "[ . 1 . 2 . 3]"
52 . 1 75 THR C 1 76 LYS N 1 76 LYS CA 1 76 LYS C -150.00 -126.00 -143.90 -135.65 -138.64 0.60 30 0 "[ . 1 . 2 . 3]"
53 . 1 76 LYS C 1 77 ASP N 1 77 ASP CA 1 77 ASP C -100.00 -80.80 -88.57 -100.41 -80.36 0.44 4 0 "[ . 1 . 2 . 3]"
54 . 1 77 ASP C 1 78 ILE N 1 78 ILE CA 1 78 ILE C -128.00 -76.00 -84.91 -98.61 -75.40 0.60 4 0 "[ . 1 . 2 . 3]"
55 . 1 84 GLN C 1 85 THR N 1 85 THR CA 1 85 THR C -91.00 -73.00 -84.34 -91.40 -75.85 0.40 20 0 "[ . 1 . 2 . 3]"
56 . 1 85 THR C 1 86 VAL N 1 86 VAL CA 1 86 VAL C -71.90 -47.30 -55.62 -64.53 -48.11 . . 0 "[ . 1 . 2 . 3]"
57 . 1 86 VAL C 1 87 ASP N 1 87 ASP CA 1 87 ASP C -67.30 -57.90 -67.49 -66.08 -66.64 2.55 28 0 "[ . 1 . 2 . 3]"
58 . 1 87 ASP C 1 88 VAL N 1 88 VAL CA 1 88 VAL C -76.30 -60.10 -75.30 -77.29 -65.32 0.99 16 0 "[ . 1 . 2 . 3]"
59 . 1 88 VAL C 1 89 ALA N 1 89 ALA CA 1 89 ALA C -63.20 -58.00 -62.64 -58.02 -59.47 1.26 27 0 "[ . 1 . 2 . 3]"
60 . 1 89 ALA C 1 90 GLN N 1 90 GLN CA 1 90 GLN C -64.80 -60.40 -64.09 -65.75 -60.66 0.95 8 0 "[ . 1 . 2 . 3]"
61 . 1 90 GLN C 1 91 LYS N 1 91 LYS CA 1 91 LYS C -65.20 -56.80 -63.01 -65.94 -57.36 0.74 17 0 "[ . 1 . 2 . 3]"
62 . 1 91 LYS C 1 92 ASN N 1 92 ASN CA 1 92 ASN C -68.60 -63.00 -64.87 -64.07 -64.77 1.11 18 0 "[ . 1 . 2 . 3]"
63 . 1 92 ASN C 1 93 LEU N 1 93 LEU CA 1 93 LEU C -68.60 -60.40 -64.85 -69.71 -59.85 1.11 24 0 "[ . 1 . 2 . 3]"
64 . 1 93 LEU C 1 94 ASN N 1 94 ASN CA 1 94 ASN C -67.60 -59.60 -59.54 -63.38 -57.28 2.32 8 0 "[ . 1 . 2 . 3]"
65 . 1 94 ASN C 1 95 VAL N 1 95 VAL CA 1 95 VAL C -74.00 -58.00 -67.67 -74.88 -59.02 0.88 14 0 "[ . 1 . 2 . 3]"
66 . 1 99 THR C 1 100 LYS N 1 100 LYS CA 1 100 LYS C -139.00 -109.00 -110.30 -131.04 -107.29 1.71 21 0 "[ . 1 . 2 . 3]"
67 . 1 100 LYS C 1 101 PHE N 1 101 PHE CA 1 101 PHE C -129.50 -109.10 -125.20 -129.77 -108.74 0.36 28 0 "[ . 1 . 2 . 3]"
68 . 1 101 PHE C 1 102 SER N 1 102 SER CA 1 102 SER C -140.80 -116.00 -133.48 -138.09 -139.99 1.06 23 0 "[ . 1 . 2 . 3]"
69 . 1 102 SER C 1 103 GLN N 1 103 GLN CA 1 103 GLN C -139.60 -122.40 -121.83 -127.20 -119.39 3.01 8 0 "[ . 1 . 2 . 3]"
70 . 1 103 GLN C 1 104 ALA N 1 104 ALA CA 1 104 ALA C -148.00 -115.20 -121.25 -136.12 -113.73 1.47 11 0 "[ . 1 . 2 . 3]"
71 . 1 104 ALA C 1 105 SER N 1 105 SER CA 1 105 SER C -121.00 -89.00 -91.25 -104.36 -87.83 1.17 30 0 "[ . 1 . 2 . 3]"
72 . 1 105 SER C 1 106 VAL N 1 106 VAL CA 1 106 VAL C -149.00 -123.00 -121.85 -121.17 -121.30 3.03 10 0 "[ . 1 . 2 . 3]"
73 . 1 106 VAL C 1 107 ASP N 1 107 ASP CA 1 107 ASP C -106.00 -80.00 -79.22 -87.95 -76.64 3.36 9 0 "[ . 1 . 2 . 3]"
74 . 1 110 ARG C 1 111 PRO N 1 111 PRO CA 1 111 PRO C -75.00 -57.00 -66.58 -63.60 -65.24 2.36 19 0 "[ . 1 . 2 . 3]"
75 . 1 113 GLY C 1 114 GLU N 1 114 GLU CA 1 114 GLU C -86.30 -69.50 -84.99 -87.14 -87.15 2.29 21 0 "[ . 1 . 2 . 3]"
76 . 1 114 GLU C 1 115 VAL N 1 115 VAL CA 1 115 VAL C -112.20 -76.00 -75.45 -81.46 -73.15 2.85 27 0 "[ . 1 . 2 . 3]"
77 . 1 117 GLY C 1 118 THR N 1 118 THR CA 1 118 THR C -144.00 -118.00 -124.20 -140.70 -116.19 1.81 4 0 "[ . 1 . 2 . 3]"
78 . 1 120 PRO C 1 121 PRO N 1 121 PRO CA 1 121 PRO C -73.00 -57.00 -69.56 -73.80 -60.46 0.80 23 0 "[ . 1 . 2 . 3]"
79 . 1 121 PRO C 1 122 ALA N 1 122 ALA CA 1 122 ALA C -67.50 -49.90 -59.28 -64.50 -50.94 . . 0 "[ . 1 . 2 . 3]"
80 . 1 122 ALA C 1 123 GLY N 1 123 GLY CA 1 123 GLY C 89.40 107.40 104.23 94.02 108.32 0.92 21 0 "[ . 1 . 2 . 3]"
81 . 1 123 GLY C 1 124 THR N 1 124 THR CA 1 124 THR C -87.90 -65.90 -76.37 -89.20 -65.56 1.30 26 0 "[ . 1 . 2 . 3]"
82 . 1 124 THR C 1 125 THR N 1 125 THR CA 1 125 THR C -101.00 -75.00 -95.24 -101.99 -83.61 0.99 9 0 "[ . 1 . 2 . 3]"
83 . 1 125 THR C 1 126 VAL N 1 126 VAL CA 1 126 VAL C -148.00 -124.00 -129.70 -132.91 -134.03 0.78 28 0 "[ . 1 . 2 . 3]"
84 . 1 126 VAL C 1 127 PRO N 1 127 PRO CA 1 127 PRO C -77.00 -59.00 -61.88 -71.92 -58.46 0.54 21 0 "[ . 1 . 2 . 3]"
85 . 1 127 PRO C 1 128 VAL N 1 128 VAL CA 1 128 VAL C -66.70 -56.70 -67.14 -68.80 -65.03 2.10 7 0 "[ . 1 . 2 . 3]"
86 . 1 128 VAL C 1 129 ASP N 1 129 ASP CA 1 129 ASP C -107.00 -75.20 -84.91 -94.14 -74.32 0.88 30 0 "[ . 1 . 2 . 3]"
87 . 1 130 SER C 1 131 VAL N 1 131 VAL CA 1 131 VAL C -118.50 -88.90 -95.16 -113.58 -88.31 0.59 18 0 "[ . 1 . 2 . 3]"
88 . 1 131 VAL C 1 132 ILE N 1 132 ILE CA 1 132 ILE C -120.50 -84.70 -97.86 -96.20 -97.25 . . 0 "[ . 1 . 2 . 3]"
89 . 1 132 ILE C 1 133 GLU N 1 133 GLU CA 1 133 GLU C -146.60 -104.00 -102.88 -103.40 -103.53 2.41 26 0 "[ . 1 . 2 . 3]"
90 . 1 133 GLU C 1 134 LEU N 1 134 LEU CA 1 134 LEU C -110.90 -87.30 -99.67 -99.78 -100.30 0.28 27 0 "[ . 1 . 2 . 3]"
91 . 1 134 LEU C 1 135 GLN N 1 135 GLN CA 1 135 GLN C -134.40 -88.00 -95.70 -92.67 -94.46 . . 0 "[ . 1 . 2 . 3]"
92 . 1 135 GLN C 1 136 VAL N 1 136 VAL CA 1 136 VAL C -132.10 -90.50 -106.29 -110.62 -112.81 0.47 9 0 "[ . 1 . 2 . 3]"
93 . 1 136 VAL C 1 137 SER N 1 137 SER CA 1 137 SER C -86.00 -58.00 -65.88 -83.39 -55.78 2.22 17 0 "[ . 1 . 2 . 3]"
94 . 1 5 PRO N 1 5 PRO CA 1 5 PRO C 1 6 GLU N 133.00 167.00 143.89 131.81 168.46 1.46 1 0 "[ . 1 . 2 . 3]"
95 . 1 7 GLN N 1 7 GLN CA 1 7 GLN C 1 8 ARG N 117.00 159.00 135.12 119.14 156.33 . . 0 "[ . 1 . 2 . 3]"
96 . 1 8 ARG N 1 8 ARG CA 1 8 ARG C 1 9 GLU N 129.90 164.30 156.66 156.76 156.21 2.08 6 0 "[ . 1 . 2 . 3]"
97 . 1 9 GLU N 1 9 GLU CA 1 9 GLU C 1 10 ILE N 105.60 140.00 141.46 141.10 140.94 3.16 30 0 "[ . 1 . 2 . 3]"
98 . 1 10 ILE N 1 10 ILE CA 1 10 ILE C 1 11 PRO N 110.00 130.00 127.36 125.11 122.76 1.46 12 0 "[ . 1 . 2 . 3]"
99 . 1 11 PRO N 1 11 PRO CA 1 11 PRO C 1 12 ASP N 142.00 160.00 144.74 142.93 142.49 2.07 26 0 "[ . 1 . 2 . 3]"
100 . 1 15 THR N 1 15 THR CA 1 15 THR C 1 16 LEU N -51.00 -29.00 -27.04 -28.40 -25.59 3.41 7 0 "[ . 1 . 2 . 3]"
101 . 1 16 LEU N 1 16 LEU CA 1 16 LEU C 1 17 THR N -43.00 -7.00 -46.05 -47.81 -44.25 4.81 14 0 "[ . 1 . 2 . 3]"
102 . 1 18 TYR N 1 18 TYR CA 1 18 TYR C 1 19 ALA N -54.40 -38.60 -47.27 -54.89 -41.38 0.49 6 0 "[ . 1 . 2 . 3]"
103 . 1 19 ALA N 1 19 ALA CA 1 19 ALA C 1 20 GLU N -46.90 -36.10 -41.03 -46.88 -35.27 0.83 5 0 "[ . 1 . 2 . 3]"
104 . 1 20 GLU N 1 20 GLU CA 1 20 GLU C 1 21 ALA N -45.60 -36.40 -42.80 -41.60 -42.29 0.96 14 0 "[ . 1 . 2 . 3]"
105 . 1 21 ALA N 1 21 ALA CA 1 21 ALA C 1 22 VAL N -50.70 -39.10 -49.15 -51.39 -51.58 1.67 8 0 "[ . 1 . 2 . 3]"
106 . 1 22 VAL N 1 22 VAL CA 1 22 VAL C 1 23 LYS N -50.20 -38.40 -47.46 -46.82 -47.41 0.44 8 0 "[ . 1 . 2 . 3]"
107 . 1 23 LYS N 1 23 LYS CA 1 23 LYS C 1 24 LYS N -46.70 -34.90 -45.39 -45.43 -45.88 2.14 7 0 "[ . 1 . 2 . 3]"
108 . 1 24 LYS N 1 24 LYS CA 1 24 LYS C 1 25 LEU N -47.30 -39.30 -41.10 -39.52 -40.33 1.40 3 0 "[ . 1 . 2 . 3]"
109 . 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 THR N -43.30 -33.10 -37.16 -43.21 -32.66 0.44 14 0 "[ . 1 . 2 . 3]"
110 . 1 26 THR N 1 26 THR CA 1 26 THR C 1 27 ALA N -47.80 -38.60 -43.46 -40.74 -41.16 0.43 19 0 "[ . 1 . 2 . 3]"
111 . 1 27 ALA N 1 27 ALA CA 1 27 ALA C 1 28 ALA N -33.80 -16.20 -17.75 -21.44 -15.42 0.78 17 0 "[ . 1 . 2 . 3]"
112 . 1 28 ALA N 1 28 ALA CA 1 28 ALA C 1 29 GLY N -13.00 5.00 -13.43 -14.83 -10.16 1.83 5 0 "[ . 1 . 2 . 3]"
113 . 1 32 ARG N 1 32 ARG CA 1 32 ARG C 1 33 PHE N 116.70 156.70 116.50 116.29 116.03 3.51 16 0 "[ . 1 . 2 . 3]"
114 . 1 33 PHE N 1 33 PHE CA 1 33 PHE C 1 34 LYS N 131.60 165.00 151.82 141.74 165.18 0.18 24 0 "[ . 1 . 2 . 3]"
115 . 1 34 LYS N 1 34 LYS CA 1 34 LYS C 1 35 GLN N 123.50 148.10 126.16 121.84 121.82 1.68 1 0 "[ . 1 . 2 . 3]"
116 . 1 35 GLN N 1 35 GLN CA 1 35 GLN C 1 36 ALA N 116.50 134.70 128.93 115.78 136.40 1.70 12 0 "[ . 1 . 2 . 3]"
117 . 1 36 ALA N 1 36 ALA CA 1 36 ALA C 1 37 ASN N 135.40 165.00 149.13 138.96 162.47 . . 0 "[ . 1 . 2 . 3]"
118 . 1 37 ASN N 1 37 ASN CA 1 37 ASN C 1 38 SER N 130.20 150.20 144.39 146.49 144.56 1.09 24 0 "[ . 1 . 2 . 3]"
119 . 1 38 SER N 1 38 SER CA 1 38 SER C 1 39 PRO N 131.70 149.70 140.61 142.55 140.85 0.55 3 0 "[ . 1 . 2 . 3]"
120 . 1 39 PRO N 1 39 PRO CA 1 39 PRO C 1 40 SER N 123.00 153.00 125.43 120.89 140.55 2.11 5 0 "[ . 1 . 2 . 3]"
121 . 1 40 SER N 1 40 SER CA 1 40 SER C 1 41 THR N 161.00 179.00 179.25 -179.18 -179.51 1.87 2 0 "[ . 1 . 2 . 3]"
122 . 1 42 PRO N 1 42 PRO CA 1 42 PRO C 1 43 GLU N -48.00 -30.00 -29.73 -29.66 -29.75 3.49 5 0 "[ . 1 . 2 . 3]"
123 . 1 43 GLU N 1 43 GLU CA 1 43 GLU C 1 44 LEU N -37.00 -7.00 -20.27 -35.70 -6.91 0.09 1 0 "[ . 1 . 2 . 3]"
124 . 1 44 LEU N 1 44 LEU CA 1 44 LEU C 1 45 VAL N -21.90 12.90 4.86 -11.82 14.37 1.47 30 0 "[ . 1 . 2 . 3]"
125 . 1 45 VAL N 1 45 VAL CA 1 45 VAL C 1 46 GLY N 129.00 137.00 128.77 127.02 135.91 1.98 11 0 "[ . 1 . 2 . 3]"
126 . 1 46 GLY N 1 46 GLY CA 1 46 GLY C 1 47 LYS N -22.00 12.00 -4.73 -18.04 12.73 0.73 13 0 "[ . 1 . 2 . 3]"
127 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 VAL N 140.00 166.00 150.01 138.49 166.22 1.51 30 0 "[ . 1 . 2 . 3]"
128 . 1 48 VAL N 1 48 VAL CA 1 48 VAL C 1 49 ILE N 125.70 146.90 131.39 124.79 144.60 0.91 17 0 "[ . 1 . 2 . 3]"
129 . 1 49 ILE N 1 49 ILE CA 1 49 ILE C 1 50 GLY N -35.00 1.00 -14.12 -29.35 -0.87 . . 0 "[ . 1 . 2 . 3]"
130 . 1 51 THR N 1 51 THR CA 1 51 THR C 1 52 ASN N 138.00 168.00 149.72 152.17 150.31 . . 0 "[ . 1 . 2 . 3]"
131 . 1 54 PRO N 1 54 PRO CA 1 54 PRO C 1 55 ALA N 128.00 158.00 143.72 129.89 158.79 0.79 19 0 "[ . 1 . 2 . 3]"
132 . 1 56 ASN N 1 56 ASN CA 1 56 ASN C 1 57 GLN N -46.00 12.00 -24.10 -40.80 11.55 . . 0 "[ . 1 . 2 . 3]"
133 . 1 59 SER N 1 59 SER CA 1 59 SER C 1 60 ALA N 124.00 150.00 145.52 144.19 142.82 1.31 23 0 "[ . 1 . 2 . 3]"
134 . 1 61 ILE N 1 61 ILE CA 1 61 ILE C 1 62 THR N -33.00 -3.00 -24.37 -32.98 -9.16 . . 0 "[ . 1 . 2 . 3]"
135 . 1 63 ASN N 1 63 ASN CA 1 63 ASN C 1 64 VAL N 128.00 158.00 146.41 131.10 158.42 0.42 12 0 "[ . 1 . 2 . 3]"
136 . 1 64 VAL N 1 64 VAL CA 1 64 VAL C 1 65 VAL N 112.00 126.00 118.38 125.77 124.68 0.92 8 0 "[ . 1 . 2 . 3]"
137 . 1 65 VAL N 1 65 VAL CA 1 65 VAL C 1 66 ILE N 121.00 141.00 118.79 118.61 118.51 3.77 4 0 "[ . 1 . 2 . 3]"
138 . 1 66 ILE N 1 66 ILE CA 1 66 ILE C 1 67 ILE N 112.00 126.00 115.70 116.59 115.70 0.45 8 0 "[ . 1 . 2 . 3]"
139 . 1 67 ILE N 1 67 ILE CA 1 67 ILE C 1 68 ILE N 106.00 128.00 124.21 125.34 124.97 1.97 8 0 "[ . 1 . 2 . 3]"
140 . 1 68 ILE N 1 68 ILE CA 1 68 ILE C 1 69 VAL N 110.00 126.00 118.03 108.46 124.53 1.54 20 0 "[ . 1 . 2 . 3]"
141 . 1 69 VAL N 1 69 VAL CA 1 69 VAL C 1 70 GLY N 109.00 151.00 140.15 142.72 141.49 . . 0 "[ . 1 . 2 . 3]"
142 . 1 71 SER N 1 71 SER CA 1 71 SER C 1 72 GLY N 130.00 160.00 140.21 131.72 130.20 1.34 25 0 "[ . 1 . 2 . 3]"
143 . 1 73 PRO N 1 73 PRO CA 1 73 PRO C 1 74 ALA N 102.00 166.00 122.60 105.76 156.87 . . 0 "[ . 1 . 2 . 3]"
144 . 1 75 THR N 1 75 THR CA 1 75 THR C 1 76 LYS N 144.00 166.00 157.86 152.26 151.26 0.36 13 0 "[ . 1 . 2 . 3]"
145 . 1 76 LYS N 1 76 LYS CA 1 76 LYS C 1 77 ASP N 132.00 164.00 146.82 132.00 164.59 0.59 5 0 "[ . 1 . 2 . 3]"
146 . 1 77 ASP N 1 77 ASP CA 1 77 ASP C 1 78 ILE N 109.70 138.10 131.54 113.11 139.14 1.04 6 0 "[ . 1 . 2 . 3]"
147 . 1 78 ILE N 1 78 ILE CA 1 78 ILE C 1 79 PRO N 107.00 137.00 130.63 127.91 126.11 1.44 6 0 "[ . 1 . 2 . 3]"
148 . 1 85 THR N 1 85 THR CA 1 85 THR C 1 86 VAL N 158.00 170.00 156.41 156.75 156.56 2.99 7 0 "[ . 1 . 2 . 3]"
149 . 1 86 VAL N 1 86 VAL CA 1 86 VAL C 1 87 ASP N -53.20 -42.20 -43.89 -43.47 -43.70 1.43 23 0 "[ . 1 . 2 . 3]"
150 . 1 87 ASP N 1 87 ASP CA 1 87 ASP C 1 88 VAL N -41.40 -29.60 -42.30 -43.98 -39.44 2.58 30 0 "[ . 1 . 2 . 3]"
151 . 1 88 VAL N 1 88 VAL CA 1 88 VAL C 1 89 ALA N -49.80 -35.20 -36.33 -34.86 -34.94 1.16 9 0 "[ . 1 . 2 . 3]"
152 . 1 89 ALA N 1 89 ALA CA 1 89 ALA C 1 90 GLN N -48.90 -39.30 -47.25 -49.90 -39.78 1.00 29 0 "[ . 1 . 2 . 3]"
153 . 1 90 GLN N 1 90 GLN CA 1 90 GLN C 1 91 LYS N -45.50 -36.10 -37.44 -45.95 -34.66 1.44 9 0 "[ . 1 . 2 . 3]"
154 . 1 91 LYS N 1 91 LYS CA 1 91 LYS C 1 92 ASN N -53.40 -42.80 -50.56 -51.73 -51.88 0.63 24 0 "[ . 1 . 2 . 3]"
155 . 1 92 ASN N 1 92 ASN CA 1 92 ASN C 1 93 LEU N -48.00 -38.20 -42.08 -40.93 -41.45 0.61 17 0 "[ . 1 . 2 . 3]"
156 . 1 93 LEU N 1 93 LEU CA 1 93 LEU C 1 94 ASN N -47.30 -37.30 -40.87 -47.77 -35.94 1.36 8 0 "[ . 1 . 2 . 3]"
157 . 1 94 ASN N 1 94 ASN CA 1 94 ASN C 1 95 VAL N -48.00 -38.20 -40.80 -40.08 -41.19 0.98 10 0 "[ . 1 . 2 . 3]"
158 . 1 95 VAL N 1 95 VAL CA 1 95 VAL C 1 96 TYR N -45.00 -19.00 -33.17 -32.09 -34.09 0.35 4 0 "[ . 1 . 2 . 3]"
159 . 1 100 LYS N 1 100 LYS CA 1 100 LYS C 1 101 PHE N 116.00 142.00 120.23 119.27 116.39 0.98 17 0 "[ . 1 . 2 . 3]"
160 . 1 101 PHE N 1 101 PHE CA 1 101 PHE C 1 102 SER N 126.90 156.10 150.25 135.28 156.99 0.89 14 0 "[ . 1 . 2 . 3]"
161 . 1 102 SER N 1 102 SER CA 1 102 SER C 1 103 GLN N 126.90 158.30 152.04 141.99 159.57 1.27 15 0 "[ . 1 . 2 . 3]"
162 . 1 103 GLN N 1 103 GLN CA 1 103 GLN C 1 104 ALA N 122.90 151.30 133.36 122.25 152.11 0.81 16 0 "[ . 1 . 2 . 3]"
163 . 1 104 ALA N 1 104 ALA CA 1 104 ALA C 1 105 SER N 117.90 143.50 131.91 117.15 145.08 1.58 30 0 "[ . 1 . 2 . 3]"
164 . 1 105 SER N 1 105 SER CA 1 105 SER C 1 106 VAL N 113.00 143.00 126.53 126.69 125.91 0.07 20 0 "[ . 1 . 2 . 3]"
165 . 1 106 VAL N 1 106 VAL CA 1 106 VAL C 1 107 ASP N 150.00 162.00 157.57 149.24 163.84 1.84 29 0 "[ . 1 . 2 . 3]"
166 . 1 107 ASP N 1 107 ASP CA 1 107 ASP C 1 108 SER N 112.00 142.00 129.43 111.45 142.48 0.55 14 0 "[ . 1 . 2 . 3]"
167 . 1 111 PRO N 1 111 PRO CA 1 111 PRO C 1 112 ALA N 135.00 153.00 142.97 146.52 144.62 1.98 13 0 "[ . 1 . 2 . 3]"
168 . 1 114 GLU N 1 114 GLU CA 1 114 GLU C 1 115 VAL N 126.30 146.70 148.53 141.10 150.89 4.19 25 0 "[ . 1 . 2 . 3]"
169 . 1 115 VAL N 1 115 VAL CA 1 115 VAL C 1 116 THR N 115.90 152.70 122.53 115.47 128.87 0.43 23 0 "[ . 1 . 2 . 3]"
170 . 1 118 THR N 1 118 THR CA 1 118 THR C 1 119 ASN N 142.00 160.00 159.84 160.54 160.41 1.76 13 0 "[ . 1 . 2 . 3]"
171 . 1 121 PRO N 1 121 PRO CA 1 121 PRO C 1 122 ALA N 141.00 163.00 153.70 147.46 140.06 1.00 21 0 "[ . 1 . 2 . 3]"
172 . 1 122 ALA N 1 122 ALA CA 1 122 ALA C 1 123 GLY N 129.80 144.40 135.11 135.02 133.81 0.67 21 0 "[ . 1 . 2 . 3]"
173 . 1 123 GLY N 1 123 GLY CA 1 123 GLY C 1 124 THR N -28.80 -6.00 -15.35 -29.05 -5.36 0.64 26 0 "[ . 1 . 2 . 3]"
174 . 1 124 THR N 1 124 THR CA 1 124 THR C 1 125 THR N 121.30 137.10 129.83 131.26 129.33 1.45 21 0 "[ . 1 . 2 . 3]"
175 . 1 125 THR N 1 125 THR CA 1 125 THR C 1 126 VAL N 124.00 142.00 123.68 122.23 127.87 1.77 8 0 "[ . 1 . 2 . 3]"
176 . 1 126 VAL N 1 126 VAL CA 1 126 VAL C 1 127 PRO N 155.00 171.00 158.83 152.21 165.25 2.79 28 0 "[ . 1 . 2 . 3]"
177 . 1 127 PRO N 1 127 PRO CA 1 127 PRO C 1 128 VAL N 135.00 161.00 139.99 136.21 135.08 1.85 23 0 "[ . 1 . 2 . 3]"
178 . 1 128 VAL N 1 128 VAL CA 1 128 VAL C 1 129 ASP N -37.30 -21.10 -20.54 -19.42 -19.69 2.55 14 0 "[ . 1 . 2 . 3]"
179 . 1 129 ASP N 1 129 ASP CA 1 129 ASP C 1 130 SER N -17.50 3.30 -3.91 -0.23 -1.81 1.11 18 0 "[ . 1 . 2 . 3]"
180 . 1 131 VAL N 1 131 VAL CA 1 131 VAL C 1 132 ILE N 112.90 136.10 128.94 112.90 137.67 1.57 28 0 "[ . 1 . 2 . 3]"
181 . 1 132 ILE N 1 132 ILE CA 1 132 ILE C 1 133 GLU N 114.50 145.70 137.50 123.72 146.00 0.30 10 0 "[ . 1 . 2 . 3]"
182 . 1 133 GLU N 1 133 GLU CA 1 133 GLU C 1 134 LEU N 116.70 132.50 123.57 116.54 131.07 0.16 22 0 "[ . 1 . 2 . 3]"
183 . 1 134 LEU N 1 134 LEU CA 1 134 LEU C 1 135 GLN N 107.40 133.60 129.93 133.70 133.58 2.43 23 0 "[ . 1 . 2 . 3]"
184 . 1 135 GLN N 1 135 GLN CA 1 135 GLN C 1 136 VAL N 103.20 138.40 109.09 109.41 109.23 0.67 22 0 "[ . 1 . 2 . 3]"
185 . 1 136 VAL N 1 136 VAL CA 1 136 VAL C 1 137 SER N 116.60 137.40 136.34 122.33 141.21 3.81 17 0 "[ . 1 . 2 . 3]"
186 . 1 137 SER N 1 137 SER CA 1 137 SER C 1 138 LYS N 115.00 141.00 120.11 114.39 128.66 0.61 10 0 "[ . 1 . 2 . 3]"
stop_
save_