NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
597754 |
2n3d   |
25642 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2n3d
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 172
_TA_constraint_stats_list.Viol_count 1038
_TA_constraint_stats_list.Viol_total 50111.01
_TA_constraint_stats_list.Viol_max 14.50
_TA_constraint_stats_list.Viol_rms 1.79
_TA_constraint_stats_list.Viol_average_all_restraints 0.73
_TA_constraint_stats_list.Viol_average_violations_only 2.41
_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 39 ALA C 1 40 SER N 1 40 SER CA 1 40 SER C -171.40 -46.80 -112.10 -163.88 -55.99 . . 0 "[ . 1 . 2]"
2 . 1 40 SER N 1 40 SER CA 1 40 SER C 1 41 LEU N 122.20 162.20 149.17 162.31 161.07 0.56 6 0 "[ . 1 . 2]"
3 . 1 40 SER C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -141.90 -99.10 -126.79 -140.68 -141.86 0.61 8 0 "[ . 1 . 2]"
4 . 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 LEU N 109.20 149.20 116.98 108.67 143.14 0.53 18 0 "[ . 1 . 2]"
5 . 1 41 LEU C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -121.00 -77.80 -104.71 -119.82 -93.47 . . 0 "[ . 1 . 2]"
6 . 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 SER N 96.80 136.80 123.68 119.73 118.13 0.15 19 0 "[ . 1 . 2]"
7 . 1 42 LEU C 1 43 SER N 1 43 SER CA 1 43 SER C -120.90 -30.90 -58.88 -73.97 -48.75 . . 0 "[ . 1 . 2]"
8 . 1 43 SER N 1 43 SER CA 1 43 SER C 1 44 ALA N 126.50 -164.70 -174.08 -172.96 -175.99 1.01 17 0 "[ . 1 . 2]"
9 . 1 43 SER C 1 44 ALA N 1 44 ALA CA 1 44 ALA C -89.50 -49.50 -86.94 -89.84 -79.33 0.34 2 0 "[ . 1 . 2]"
10 . 1 44 ALA N 1 44 ALA CA 1 44 ALA C 1 45 ASP N -43.60 -3.60 -29.21 -26.84 -27.82 . . 0 "[ . 1 . 2]"
11 . 1 44 ALA C 1 45 ASP N 1 45 ASP CA 1 45 ASP C -118.50 -68.90 -72.55 -72.47 -72.79 0.38 11 0 "[ . 1 . 2]"
12 . 1 45 ASP N 1 45 ASP CA 1 45 ASP C 1 46 LEU N -19.60 29.20 24.39 28.33 27.48 1.69 20 0 "[ . 1 . 2]"
13 . 1 45 ASP C 1 46 LEU N 1 46 LEU CA 1 46 LEU C -134.10 -88.90 -116.32 -131.18 -95.14 . . 0 "[ . 1 . 2]"
14 . 1 46 LEU N 1 46 LEU CA 1 46 LEU C 1 47 THR N 111.70 151.70 134.84 118.08 145.57 . . 0 "[ . 1 . 2]"
15 . 1 46 LEU C 1 47 THR N 1 47 THR CA 1 47 THR C -138.30 -96.50 -132.19 -128.38 -130.26 0.59 15 0 "[ . 1 . 2]"
16 . 1 47 THR N 1 47 THR CA 1 47 THR C 1 48 ILE N 109.50 149.50 121.80 108.19 135.83 1.31 17 0 "[ . 1 . 2]"
17 . 1 47 THR C 1 48 ILE N 1 48 ILE CA 1 48 ILE C -127.20 -87.20 -87.88 -86.89 -87.07 1.05 2 0 "[ . 1 . 2]"
18 . 1 48 ILE N 1 48 ILE CA 1 48 ILE C 1 49 GLU N 106.70 146.70 140.19 133.03 147.29 0.59 15 0 "[ . 1 . 2]"
19 . 1 48 ILE C 1 49 GLU N 1 49 GLU CA 1 49 GLU C -134.60 -81.80 -131.55 -136.26 -99.95 1.66 12 0 "[ . 1 . 2]"
20 . 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 GLY N 90.70 139.90 133.32 139.35 138.85 0.71 3 0 "[ . 1 . 2]"
21 . 1 51 GLY C 1 52 VAL N 1 52 VAL CA 1 52 VAL C -145.00 -91.80 -113.25 -109.60 -124.30 1.14 8 0 "[ . 1 . 2]"
22 . 1 52 VAL N 1 52 VAL CA 1 52 VAL C 1 53 THR N 111.00 151.00 144.91 147.87 145.78 0.43 19 0 "[ . 1 . 2]"
23 . 1 52 VAL C 1 53 THR N 1 53 THR CA 1 53 THR C -150.60 -103.20 -119.39 -145.17 -102.38 0.82 9 0 "[ . 1 . 2]"
24 . 1 53 THR N 1 53 THR CA 1 53 THR C 1 54 GLY N 107.30 171.10 143.21 108.04 170.97 . . 0 "[ . 1 . 2]"
25 . 1 56 GLY C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -128.70 -66.70 -87.89 -106.11 -73.88 . . 0 "[ . 1 . 2]"
26 . 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 LEU N 113.50 158.90 122.06 139.83 135.39 0.56 18 0 "[ . 1 . 2]"
27 . 1 57 GLU C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -143.70 -103.70 -120.45 -142.12 -105.19 . . 0 "[ . 1 . 2]"
28 . 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 GLN N 108.20 148.20 110.06 110.47 108.61 1.43 3 0 "[ . 1 . 2]"
29 . 1 58 LEU C 1 59 GLN N 1 59 GLN CA 1 59 GLN C -128.30 -74.90 -98.98 -113.03 -88.65 . . 0 "[ . 1 . 2]"
30 . 1 59 GLN N 1 59 GLN CA 1 59 GLN C 1 60 ILE N 102.30 142.30 109.15 101.53 134.81 0.77 5 0 "[ . 1 . 2]"
31 . 1 59 GLN C 1 60 ILE N 1 60 ILE CA 1 60 ILE C -134.90 -68.50 -119.46 -118.36 -123.55 0.81 17 0 "[ . 1 . 2]"
32 . 1 60 ILE N 1 60 ILE CA 1 60 ILE C 1 61 ASP N 104.20 144.20 131.28 139.30 137.21 0.04 14 0 "[ . 1 . 2]"
33 . 1 60 ILE C 1 61 ASP N 1 61 ASP CA 1 61 ASP C -129.10 -69.10 -120.38 -129.61 -105.67 0.51 2 0 "[ . 1 . 2]"
34 . 1 61 ASP N 1 61 ASP CA 1 61 ASP C 1 62 GLY N -122.60 78.20 51.76 52.47 51.93 . . 0 "[ . 1 . 2]"
35 . 1 61 ASP C 1 62 GLY N 1 62 GLY CA 1 62 GLY C 147.80 -138.40 -143.26 -156.06 -137.99 0.41 11 0 "[ . 1 . 2]"
36 . 1 62 GLY N 1 62 GLY CA 1 62 GLY C 1 63 VAL N 143.80 -164.80 -159.28 -160.42 -157.89 6.91 16 14 "[* **.****1 ** *+ *-*]"
37 . 1 62 GLY C 1 63 VAL N 1 63 VAL CA 1 63 VAL C -149.00 -109.00 -106.67 -109.19 -105.29 3.71 16 0 "[ . 1 . 2]"
38 . 1 63 VAL N 1 63 VAL CA 1 63 VAL C 1 64 VAL N 111.90 151.90 121.46 136.98 134.87 0.68 4 0 "[ . 1 . 2]"
39 . 1 63 VAL C 1 64 VAL N 1 64 VAL CA 1 64 VAL C -135.60 -95.60 -109.44 -135.74 -95.41 0.19 5 0 "[ . 1 . 2]"
40 . 1 64 VAL N 1 64 VAL CA 1 64 VAL C 1 65 LYS N 107.40 147.40 119.54 124.81 123.29 . . 0 "[ . 1 . 2]"
41 . 1 64 VAL C 1 65 LYS N 1 65 LYS CA 1 65 LYS C -123.90 -76.10 -124.68 -124.65 -124.81 3.14 17 0 "[ . 1 . 2]"
42 . 1 65 LYS N 1 65 LYS CA 1 65 LYS C 1 66 GLY N 91.30 143.90 116.13 104.14 91.33 0.51 1 0 "[ . 1 . 2]"
43 . 1 66 GLY C 1 67 ASP N 1 67 ASP CA 1 67 ASP C -118.30 -56.10 -98.62 -93.40 -99.29 . . 0 "[ . 1 . 2]"
44 . 1 67 ASP N 1 67 ASP CA 1 67 ASP C 1 68 VAL N 107.70 165.30 136.73 106.41 159.11 1.29 16 0 "[ . 1 . 2]"
45 . 1 67 ASP C 1 68 VAL N 1 68 VAL CA 1 68 VAL C -146.00 -104.40 -127.66 -134.56 -137.85 0.66 5 0 "[ . 1 . 2]"
46 . 1 68 VAL N 1 68 VAL CA 1 68 VAL C 1 69 ARG N 106.20 146.20 128.37 108.90 142.97 . . 0 "[ . 1 . 2]"
47 . 1 68 VAL C 1 69 ARG N 1 69 ARG CA 1 69 ARG C -128.10 -66.70 -125.49 -118.16 -123.59 0.74 12 0 "[ . 1 . 2]"
48 . 1 69 ARG N 1 69 ARG CA 1 69 ARG C 1 70 VAL N 111.40 151.40 120.40 110.36 136.04 1.04 18 0 "[ . 1 . 2]"
49 . 1 69 ARG C 1 70 VAL N 1 70 VAL CA 1 70 VAL C -167.20 -102.60 -163.86 -165.04 -167.27 0.86 20 0 "[ . 1 . 2]"
50 . 1 70 VAL N 1 70 VAL CA 1 70 VAL C 1 71 GLY N 134.90 174.90 168.46 161.76 175.04 0.14 15 0 "[ . 1 . 2]"
51 . 1 71 GLY C 1 72 ARG N 1 72 ARG CA 1 72 ARG C -169.50 -112.90 -120.29 -138.23 -112.19 0.71 1 0 "[ . 1 . 2]"
52 . 1 72 ARG N 1 72 ARG CA 1 72 ARG C 1 73 LEU N 119.50 159.70 124.14 118.63 142.34 0.87 4 0 "[ . 1 . 2]"
53 . 1 72 ARG C 1 73 LEU N 1 73 LEU CA 1 73 LEU C -144.90 -101.30 -112.01 -124.05 -129.08 0.44 10 0 "[ . 1 . 2]"
54 . 1 73 LEU N 1 73 LEU CA 1 73 LEU C 1 74 THR N 110.10 150.10 119.80 121.87 118.73 0.17 8 0 "[ . 1 . 2]"
55 . 1 73 LEU C 1 74 THR N 1 74 THR CA 1 74 THR C -129.30 -89.30 -114.70 -127.58 -102.78 . . 0 "[ . 1 . 2]"
56 . 1 74 THR N 1 74 THR CA 1 74 THR C 1 75 VAL N 106.70 146.70 117.45 108.42 124.77 . . 0 "[ . 1 . 2]"
57 . 1 74 THR C 1 75 VAL N 1 75 VAL CA 1 75 VAL C -125.60 -84.00 -83.35 -85.93 -82.60 1.40 18 0 "[ . 1 . 2]"
58 . 1 75 VAL N 1 75 VAL CA 1 75 VAL C 1 76 GLY N 101.10 145.50 110.50 108.81 108.40 . . 0 "[ . 1 . 2]"
59 . 1 75 VAL C 1 76 GLY N 1 76 GLY CA 1 76 GLY C -106.10 -46.10 -52.30 -63.59 -49.48 . . 0 "[ . 1 . 2]"
60 . 1 76 GLY N 1 76 GLY CA 1 76 GLY C 1 77 GLU N 133.40 -158.80 -160.25 -158.81 -159.73 1.30 2 0 "[ . 1 . 2]"
61 . 1 76 GLY C 1 77 GLU N 1 77 GLU CA 1 77 GLU C -84.10 -44.10 -84.13 -84.37 -84.45 1.28 7 0 "[ . 1 . 2]"
62 . 1 77 GLU N 1 77 GLU CA 1 77 GLU C 1 78 THR N -44.00 -4.00 -21.50 -26.16 -14.84 . . 0 "[ . 1 . 2]"
63 . 1 77 GLU C 1 78 THR N 1 78 THR CA 1 78 THR C -108.60 -68.60 -66.95 -67.50 -66.32 2.28 9 0 "[ . 1 . 2]"
64 . 1 78 THR N 1 78 THR CA 1 78 THR C 1 79 GLY N -20.80 19.20 -26.26 -26.88 -27.11 6.42 12 16 "[******** * + *-** **]"
65 . 1 78 THR C 1 79 GLY N 1 79 GLY CA 1 79 GLY C 60.10 100.10 55.61 55.56 55.23 5.38 12 5 "[* -* 1 + . *2]"
66 . 1 79 GLY N 1 79 GLY CA 1 79 GLY C 1 80 HIS N -2.00 38.00 38.43 39.17 39.07 1.49 10 0 "[ . 1 . 2]"
67 . 1 79 GLY C 1 80 HIS N 1 80 HIS CA 1 80 HIS C -146.80 -83.40 -111.97 -109.44 -110.30 . . 0 "[ . 1 . 2]"
68 . 1 80 HIS N 1 80 HIS CA 1 80 HIS C 1 81 VAL N 119.50 172.70 113.33 111.45 114.53 8.05 2 19 "[ +*********-********]"
69 . 1 80 HIS C 1 81 VAL N 1 81 VAL CA 1 81 VAL C -144.60 -94.00 -148.15 -149.59 -146.65 4.99 2 0 "[ . 1 . 2]"
70 . 1 81 VAL N 1 81 VAL CA 1 81 VAL C 1 82 GLU N 111.60 151.60 112.71 110.20 117.53 1.40 13 0 "[ . 1 . 2]"
71 . 1 81 VAL C 1 82 GLU N 1 82 GLU CA 1 82 GLU C -138.50 -83.70 -137.07 -139.34 -131.64 0.84 3 0 "[ . 1 . 2]"
72 . 1 82 GLU N 1 82 GLU CA 1 82 GLU C 1 83 GLY N 110.50 150.50 107.75 106.76 109.48 3.74 2 0 "[ . 1 . 2]"
73 . 1 82 GLU C 1 83 GLY N 1 83 GLY CA 1 83 GLY C 161.40 -123.00 158.99 158.87 158.79 3.44 13 0 "[ . 1 . 2]"
74 . 1 83 GLY N 1 83 GLY CA 1 83 GLY C 1 84 SER N 147.10 -155.90 -155.61 -155.60 -155.72 1.31 16 0 "[ . 1 . 2]"
75 . 1 83 GLY C 1 84 SER N 1 84 SER CA 1 84 SER C -169.50 -76.50 -102.51 -105.80 -111.35 . . 0 "[ . 1 . 2]"
76 . 1 84 SER N 1 84 SER CA 1 84 SER C 1 85 VAL N 116.50 168.10 122.61 115.89 115.73 0.79 5 0 "[ . 1 . 2]"
77 . 1 84 SER C 1 85 VAL N 1 85 VAL CA 1 85 VAL C -138.50 -98.50 -113.97 -105.11 -107.15 0.92 20 0 "[ . 1 . 2]"
78 . 1 85 VAL N 1 85 VAL CA 1 85 VAL C 1 86 TYR N 107.70 147.70 130.44 133.25 131.35 . . 0 "[ . 1 . 2]"
79 . 1 85 VAL C 1 86 TYR N 1 86 TYR CA 1 86 TYR C -136.60 -78.20 -127.20 -137.23 -113.42 0.63 9 0 "[ . 1 . 2]"
80 . 1 86 TYR N 1 86 TYR CA 1 86 TYR C 1 87 ALA N 118.20 160.40 121.13 117.13 133.08 1.07 12 0 "[ . 1 . 2]"
81 . 1 86 TYR C 1 87 ALA N 1 87 ALA CA 1 87 ALA C -172.00 -124.80 -163.36 -171.87 -153.03 . . 0 "[ . 1 . 2]"
82 . 1 87 ALA N 1 87 ALA CA 1 87 ALA C 1 88 GLU N 138.00 178.00 172.11 178.03 177.29 0.49 18 0 "[ . 1 . 2]"
83 . 1 87 ALA C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -94.50 -54.50 -87.38 -94.92 -54.89 0.42 7 0 "[ . 1 . 2]"
84 . 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 ALA N -56.30 -16.30 -42.75 -56.37 -32.57 0.07 18 0 "[ . 1 . 2]"
85 . 1 88 GLU C 1 89 ALA N 1 89 ALA CA 1 89 ALA C -170.60 -130.60 -136.36 -143.13 -146.45 0.91 10 0 "[ . 1 . 2]"
86 . 1 89 ALA N 1 89 ALA CA 1 89 ALA C 1 90 VAL N 132.70 172.70 142.93 135.46 153.66 . . 0 "[ . 1 . 2]"
87 . 1 89 ALA C 1 90 VAL N 1 90 VAL CA 1 90 VAL C -152.30 -112.30 -143.58 -142.45 -144.62 0.80 17 0 "[ . 1 . 2]"
88 . 1 90 VAL N 1 90 VAL CA 1 90 VAL C 1 91 GLU N 111.90 151.90 128.07 111.23 145.51 0.67 2 0 "[ . 1 . 2]"
89 . 1 90 VAL C 1 91 GLU N 1 91 GLU CA 1 91 GLU C -152.70 -83.70 -115.13 -115.43 -116.99 . . 0 "[ . 1 . 2]"
90 . 1 91 GLU N 1 91 GLU CA 1 91 GLU C 1 92 VAL N 106.70 156.30 113.13 105.68 129.52 1.02 3 0 "[ . 1 . 2]"
91 . 1 91 GLU C 1 92 VAL N 1 92 VAL CA 1 92 VAL C -113.20 -61.00 -94.21 -87.81 -88.15 . . 0 "[ . 1 . 2]"
92 . 1 92 VAL N 1 92 VAL CA 1 92 VAL C 1 93 ARG N 101.70 146.10 137.53 135.52 134.90 . . 0 "[ . 1 . 2]"
93 . 1 92 VAL C 1 93 ARG N 1 93 ARG CA 1 93 ARG C -135.40 -57.80 -135.35 -137.85 -129.97 2.45 15 0 "[ . 1 . 2]"
94 . 1 93 ARG N 1 93 ARG CA 1 93 ARG C 1 94 GLY N -75.30 16.90 19.82 19.48 19.29 5.31 14 1 "[ . 1 +. 2]"
95 . 1 93 ARG C 1 94 GLY N 1 94 GLY CA 1 94 GLY C 142.00 -163.00 -159.71 -159.79 -160.03 5.65 14 1 "[ . 1 +. 2]"
96 . 1 94 GLY N 1 94 GLY CA 1 94 GLY C 1 95 ARG N 158.70 -155.50 -152.10 -153.67 -154.11 4.98 12 0 "[ . 1 . 2]"
97 . 1 94 GLY C 1 95 ARG N 1 95 ARG CA 1 95 ARG C -153.30 -111.50 -107.83 -108.04 -108.18 5.50 14 1 "[ . 1 +. 2]"
98 . 1 95 ARG N 1 95 ARG CA 1 95 ARG C 1 96 VAL N 109.00 163.60 134.96 136.27 135.63 . . 0 "[ . 1 . 2]"
99 . 1 95 ARG C 1 96 VAL N 1 96 VAL CA 1 96 VAL C -141.70 -98.30 -135.54 -141.33 -123.03 . . 0 "[ . 1 . 2]"
100 . 1 96 VAL N 1 96 VAL CA 1 96 VAL C 1 97 VAL N 108.90 148.90 124.59 119.52 113.86 0.42 14 0 "[ . 1 . 2]"
101 . 1 96 VAL C 1 97 VAL N 1 97 VAL CA 1 97 VAL C -138.30 -86.90 -134.67 -139.58 -117.41 1.28 9 0 "[ . 1 . 2]"
102 . 1 97 VAL N 1 97 VAL CA 1 97 VAL C 1 98 GLY N 107.70 149.90 119.88 107.63 130.75 0.07 14 0 "[ . 1 . 2]"
103 . 1 98 GLY C 1 99 ALA N 1 99 ALA CA 1 99 ALA C -177.70 -76.50 -162.28 -176.69 -154.79 . . 0 "[ . 1 . 2]"
104 . 1 99 ALA N 1 99 ALA CA 1 99 ALA C 1 100 ILE N 117.50 174.10 140.33 144.51 141.50 . . 0 "[ . 1 . 2]"
105 . 1 99 ALA C 1 100 ILE N 1 100 ILE CA 1 100 ILE C -146.90 -106.90 -141.39 -147.38 -121.15 0.48 12 0 "[ . 1 . 2]"
106 . 1 100 ILE N 1 100 ILE CA 1 100 ILE C 1 101 THR N 108.10 148.10 141.01 141.91 140.36 1.12 5 0 "[ . 1 . 2]"
107 . 1 100 ILE C 1 101 THR N 1 101 THR CA 1 101 THR C -132.60 -71.40 -133.22 -133.02 -133.20 1.33 9 0 "[ . 1 . 2]"
108 . 1 101 THR N 1 101 THR CA 1 101 THR C 1 102 SER N 107.30 147.30 119.20 116.92 114.47 0.74 1 0 "[ . 1 . 2]"
109 . 1 101 THR C 1 102 SER N 1 102 SER CA 1 102 SER C 179.70 -79.50 -159.15 -160.18 -161.32 . . 0 "[ . 1 . 2]"
110 . 1 102 SER N 1 102 SER CA 1 102 SER C 1 103 LYS N 118.00 -179.20 163.20 147.42 139.29 . . 0 "[ . 1 . 2]"
111 . 1 102 SER C 1 103 LYS N 1 103 LYS CA 1 103 LYS C -86.50 -46.50 -78.68 -86.89 -67.92 0.39 13 0 "[ . 1 . 2]"
112 . 1 103 LYS N 1 103 LYS CA 1 103 LYS C 1 104 GLN N -58.20 -18.20 -35.83 -57.37 -17.81 0.39 18 0 "[ . 1 . 2]"
113 . 1 103 LYS C 1 104 GLN N 1 104 GLN CA 1 104 GLN C -166.50 -125.90 -134.43 -154.17 -125.44 0.46 8 0 "[ . 1 . 2]"
114 . 1 104 GLN N 1 104 GLN CA 1 104 GLN C 1 105 VAL N 120.70 160.70 133.76 132.89 130.68 . . 0 "[ . 1 . 2]"
115 . 1 104 GLN C 1 105 VAL N 1 105 VAL CA 1 105 VAL C -148.20 -101.60 -138.91 -149.14 -121.47 0.94 2 0 "[ . 1 . 2]"
116 . 1 105 VAL N 1 105 VAL CA 1 105 VAL C 1 106 ARG N 108.50 148.50 134.27 120.03 149.33 0.83 17 0 "[ . 1 . 2]"
117 . 1 105 VAL C 1 106 ARG N 1 106 ARG CA 1 106 ARG C -141.30 -87.90 -131.26 -131.02 -132.61 0.28 18 0 "[ . 1 . 2]"
118 . 1 106 ARG N 1 106 ARG CA 1 106 ARG C 1 107 LEU N 106.70 153.10 116.56 125.68 122.33 . . 0 "[ . 1 . 2]"
119 . 1 106 ARG C 1 107 LEU N 1 107 LEU CA 1 107 LEU C -121.30 -65.10 -87.09 -96.38 -77.81 . . 0 "[ . 1 . 2]"
120 . 1 107 LEU N 1 107 LEU CA 1 107 LEU C 1 108 TYR N 99.30 154.30 95.62 96.11 95.76 5.42 19 3 "[ . 1*- . +2]"
121 . 1 107 LEU C 1 108 TYR N 1 108 TYR CA 1 108 TYR C -89.80 -44.00 -94.28 -93.82 -93.95 6.69 19 5 "[ . * 1** .- +2]"
122 . 1 108 TYR N 1 108 TYR CA 1 108 TYR C 1 109 GLY N 119.90 160.50 162.01 161.77 161.58 2.52 18 0 "[ . 1 . 2]"
123 . 1 109 GLY C 1 110 THR N 1 110 THR CA 1 110 THR C -122.50 -62.50 -69.03 -70.23 -70.68 . . 0 "[ . 1 . 2]"
124 . 1 110 THR N 1 110 THR CA 1 110 THR C 1 111 SER N -35.20 24.80 30.05 28.17 28.02 7.62 8 10 "[ * . +***** - **2]"
125 . 1 110 THR C 1 111 SER N 1 111 SER CA 1 111 SER C -159.30 -49.50 -49.18 -59.67 -44.78 4.72 8 0 "[ . 1 . 2]"
126 . 1 111 SER N 1 111 SER CA 1 111 SER C 1 112 TYR N 129.50 169.50 149.40 169.72 169.58 1.26 11 0 "[ . 1 . 2]"
127 . 1 111 SER C 1 112 TYR N 1 112 TYR CA 1 112 TYR C -150.70 -90.50 -139.69 -149.43 -149.43 . . 0 "[ . 1 . 2]"
128 . 1 112 TYR N 1 112 TYR CA 1 112 TYR C 1 113 VAL N 110.60 150.60 128.28 146.43 145.93 1.04 5 0 "[ . 1 . 2]"
129 . 1 112 TYR C 1 113 VAL N 1 113 VAL CA 1 113 VAL C -141.40 -88.00 -128.20 -141.99 -109.86 0.59 6 0 "[ . 1 . 2]"
130 . 1 113 VAL N 1 113 VAL CA 1 113 VAL C 1 114 ASP N 107.90 147.90 120.74 115.54 125.67 . . 0 "[ . 1 . 2]"
131 . 1 113 VAL C 1 114 ASP N 1 114 ASP CA 1 114 ASP C -132.70 -92.70 -133.60 -133.32 -133.39 2.20 20 0 "[ . 1 . 2]"
132 . 1 114 ASP N 1 114 ASP CA 1 114 ASP C 1 115 GLY N 103.20 146.20 108.95 108.75 108.31 0.55 13 0 "[ . 1 . 2]"
133 . 1 115 GLY C 1 116 ASP N 1 116 ASP CA 1 116 ASP C -120.00 -60.60 -89.10 -88.33 -88.37 . . 0 "[ . 1 . 2]"
134 . 1 116 ASP N 1 116 ASP CA 1 116 ASP C 1 117 ILE N 100.70 167.10 118.72 120.48 117.70 . . 0 "[ . 1 . 2]"
135 . 1 116 ASP C 1 117 ILE N 1 117 ILE CA 1 117 ILE C -119.90 -72.30 -111.80 -120.41 -93.81 0.51 20 0 "[ . 1 . 2]"
136 . 1 117 ILE N 1 117 ILE CA 1 117 ILE C 1 118 THR N 101.70 142.10 138.74 126.30 143.26 1.16 11 0 "[ . 1 . 2]"
137 . 1 119 HIS C 1 120 GLU N 1 120 GLU CA 1 120 GLU C -102.10 -42.10 -94.87 -102.72 -78.00 0.62 11 0 "[ . 1 . 2]"
138 . 1 120 GLU N 1 120 GLU CA 1 120 GLU C 1 121 GLN N -68.20 3.80 -37.85 -51.52 -25.66 . . 0 "[ . 1 . 2]"
139 . 1 120 GLU C 1 121 GLN N 1 121 GLN CA 1 121 GLN C -167.40 -117.40 -124.48 -137.93 -116.72 0.68 20 0 "[ . 1 . 2]"
140 . 1 121 GLN N 1 121 GLN CA 1 121 GLN C 1 122 LEU N 125.00 165.00 130.43 128.06 126.59 1.62 6 0 "[ . 1 . 2]"
141 . 1 121 GLN C 1 122 LEU N 1 122 LEU CA 1 122 LEU C -153.10 -105.90 -135.09 -152.53 -104.34 1.56 20 0 "[ . 1 . 2]"
142 . 1 122 LEU N 1 122 LEU CA 1 122 LEU C 1 123 ALA N 109.20 149.20 146.73 149.55 149.45 0.60 7 0 "[ . 1 . 2]"
143 . 1 122 LEU C 1 123 ALA N 1 123 ALA CA 1 123 ALA C -151.40 -105.40 -139.29 -138.22 -139.51 0.15 20 0 "[ . 1 . 2]"
144 . 1 123 ALA N 1 123 ALA CA 1 123 ALA C 1 124 MET N 115.80 161.40 132.14 145.24 138.01 . . 0 "[ . 1 . 2]"
145 . 1 123 ALA C 1 124 MET N 1 124 MET CA 1 124 MET C -151.10 -105.50 -112.96 -143.39 -104.58 0.92 10 0 "[ . 1 . 2]"
146 . 1 124 MET N 1 124 MET CA 1 124 MET C 1 125 GLU N 106.30 162.30 125.21 112.74 139.61 . . 0 "[ . 1 . 2]"
147 . 1 124 MET C 1 125 GLU N 1 125 GLU CA 1 125 GLU C -124.90 -64.10 -114.21 -105.31 -108.99 0.21 11 0 "[ . 1 . 2]"
148 . 1 125 GLU N 1 125 GLU CA 1 125 GLU C 1 126 THR N 122.60 173.60 159.34 149.85 147.21 . . 0 "[ . 1 . 2]"
149 . 1 125 GLU C 1 126 THR N 1 126 THR CA 1 126 THR C -73.90 -33.90 -42.60 -48.97 -39.51 . . 0 "[ . 1 . 2]"
150 . 1 126 THR N 1 126 THR CA 1 126 THR C 1 127 GLY N 112.70 152.70 128.05 121.38 118.87 0.03 17 0 "[ . 1 . 2]"
151 . 1 126 THR C 1 127 GLY N 1 127 GLY CA 1 127 GLY C 75.50 115.50 100.65 82.80 116.11 0.61 7 0 "[ . 1 . 2]"
152 . 1 127 GLY N 1 127 GLY CA 1 127 GLY C 1 128 ALA N -31.20 8.80 5.24 -0.03 9.63 0.83 11 0 "[ . 1 . 2]"
153 . 1 127 GLY C 1 128 ALA N 1 128 ALA CA 1 128 ALA C -88.10 -48.10 -90.26 -91.59 -91.63 4.04 7 0 "[ . 1 . 2]"
154 . 1 128 ALA N 1 128 ALA CA 1 128 ALA C 1 129 PHE N 119.10 159.10 116.15 115.40 115.04 4.45 14 0 "[ . 1 . 2]"
155 . 1 128 ALA C 1 129 PHE N 1 129 PHE CA 1 129 PHE C -126.70 -81.70 -129.44 -129.68 -129.87 4.25 12 0 "[ . 1 . 2]"
156 . 1 129 PHE N 1 129 PHE CA 1 129 PHE C 1 130 PHE N 105.00 145.00 105.58 101.76 119.23 3.24 14 0 "[ . 1 . 2]"
157 . 1 129 PHE C 1 130 PHE N 1 130 PHE CA 1 130 PHE C -131.40 -91.40 -131.85 -132.60 -132.61 1.59 18 0 "[ . 1 . 2]"
158 . 1 130 PHE N 1 130 PHE CA 1 130 PHE C 1 131 GLN N 110.30 150.30 116.12 108.68 130.01 1.62 17 0 "[ . 1 . 2]"
159 . 1 130 PHE C 1 131 GLN N 1 131 GLN CA 1 131 GLN C -151.20 -98.20 -122.78 -131.70 -112.02 . . 0 "[ . 1 . 2]"
160 . 1 131 GLN N 1 131 GLN CA 1 131 GLN C 1 132 GLY N 112.10 159.70 99.78 100.00 99.82 14.50 5 20 [****+***-***********]
161 . 1 131 GLN C 1 132 GLY N 1 132 GLY CA 1 132 GLY C -147.20 -82.00 -156.87 -155.95 -156.26 11.29 5 20 [****+***-***********]
162 . 1 132 GLY N 1 132 GLY CA 1 132 GLY C 1 133 ARG N 120.50 171.30 176.92 175.36 178.63 7.33 6 14 "[- ***+***1* * *** *]"
163 . 1 132 GLY C 1 133 ARG N 1 133 ARG CA 1 133 ARG C -173.90 -86.30 -82.04 -82.73 -83.19 5.76 20 3 "[ .* 1- . +]"
164 . 1 133 ARG N 1 133 ARG CA 1 133 ARG C 1 134 SER N 112.50 161.70 108.73 108.69 108.49 4.38 7 0 "[ . 1 . 2]"
165 . 1 133 ARG C 1 134 SER N 1 134 SER CA 1 134 SER C -121.30 -62.70 -91.00 -97.44 -98.74 . . 0 "[ . 1 . 2]"
166 . 1 134 SER N 1 134 SER CA 1 134 SER C 1 135 LEU N 110.00 150.00 125.76 146.79 140.77 0.42 8 0 "[ . 1 . 2]"
167 . 1 134 SER C 1 135 LEU N 1 135 LEU CA 1 135 LEU C -141.90 -95.90 -104.07 -129.82 -95.54 0.36 19 0 "[ . 1 . 2]"
168 . 1 135 LEU N 1 135 LEU CA 1 135 LEU C 1 136 LYS N 109.80 159.60 114.43 109.99 109.74 0.86 15 0 "[ . 1 . 2]"
169 . 1 135 LEU C 1 136 LYS N 1 136 LYS CA 1 136 LYS C -122.30 -82.30 -90.40 -111.76 -81.23 1.07 11 0 "[ . 1 . 2]"
170 . 1 136 LYS N 1 136 LYS CA 1 136 LYS C 1 137 PHE N 100.70 152.10 128.15 102.55 144.92 . . 0 "[ . 1 . 2]"
171 . 1 136 LYS C 1 137 PHE N 1 137 PHE CA 1 137 PHE C -100.70 -40.70 -73.04 -69.57 -73.08 . . 0 "[ . 1 . 2]"
172 . 1 137 PHE N 1 137 PHE CA 1 137 PHE C 1 138 GLN N 108.00 169.80 129.97 117.05 112.37 . . 0 "[ . 1 . 2]"
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