NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
432912 |
2jtn   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2jtn
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 204
_TA_constraint_stats_list.Viol_count 899
_TA_constraint_stats_list.Viol_total 2813.71
_TA_constraint_stats_list.Viol_max 1.20
_TA_constraint_stats_list.Viol_rms 0.11
_TA_constraint_stats_list.Viol_average_all_restraints 0.03
_TA_constraint_stats_list.Viol_average_violations_only 0.16
_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 3 GLN C 1 4 VAL N 1 4 VAL CA 1 4 VAL C -164.00 -60.00 -118.17 -158.88 -59.96 0.04 8 0 "[ . 1 . 2]"
2 . 1 6 ASP C 1 7 VAL N 1 7 VAL CA 1 7 VAL C -126.00 -42.00 -112.44 -117.61 -119.76 0.05 6 0 "[ . 1 . 2]"
3 . 1 8 MET C 1 9 VAL N 1 9 VAL CA 1 9 VAL C -155.00 -83.00 -154.26 -151.82 -154.39 0.14 4 0 "[ . 1 . 2]"
4 . 1 9 VAL C 1 10 VAL N 1 10 VAL CA 1 10 VAL C -113.00 -37.00 -60.12 -67.79 -52.88 . . 0 "[ . 1 . 2]"
5 . 1 11 GLY C 1 12 GLU N 1 12 GLU CA 1 12 GLU C -108.00 -44.00 -66.23 -76.59 -56.30 . . 0 "[ . 1 . 2]"
6 . 1 12 GLU C 1 13 PRO N 1 13 PRO CA 1 13 PRO C -83.00 -43.00 -70.13 -83.03 -55.94 0.03 6 0 "[ . 1 . 2]"
7 . 1 13 PRO C 1 14 THR N 1 14 THR CA 1 14 THR C -166.00 -50.00 -162.19 -164.11 -166.01 0.14 5 0 "[ . 1 . 2]"
8 . 1 14 THR C 1 15 LEU N 1 15 LEU CA 1 15 LEU C -144.00 -24.00 -129.71 -127.04 -129.20 0.09 18 0 "[ . 1 . 2]"
9 . 1 21 GLY C 1 22 ASP N 1 22 ASP CA 1 22 ASP C -84.00 -40.00 -75.61 -55.21 -57.63 0.10 15 0 "[ . 1 . 2]"
10 . 1 22 ASP C 1 23 GLU N 1 23 GLU CA 1 23 GLU C -92.00 -52.00 -63.46 -63.17 -64.48 . . 0 "[ . 1 . 2]"
11 . 1 24 ASP C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -121.00 -45.00 -94.75 -120.99 -60.06 . . 0 "[ . 1 . 2]"
12 . 1 25 GLU C 1 26 ARG N 1 26 ARG CA 1 26 ARG C -148.00 -76.00 -77.36 -76.04 -76.08 0.17 12 0 "[ . 1 . 2]"
13 . 1 26 ARG C 1 27 LEU N 1 27 LEU CA 1 27 LEU C -112.00 -48.00 -88.38 -65.22 -69.96 0.01 19 0 "[ . 1 . 2]"
14 . 1 27 LEU C 1 28 ILE N 1 28 ILE CA 1 28 ILE C -139.00 -63.00 -62.91 -63.04 -62.68 0.32 17 0 "[ . 1 . 2]"
15 . 1 28 ILE C 1 29 THR N 1 29 THR CA 1 29 THR C -160.00 -72.00 -111.66 -130.81 -88.11 . . 0 "[ . 1 . 2]"
16 . 1 29 THR C 1 30 ARG N 1 30 ARG CA 1 30 ARG C -129.00 -77.00 -80.35 -80.62 -82.28 0.01 13 0 "[ . 1 . 2]"
17 . 1 30 ARG C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -165.00 -81.00 -144.28 -150.30 -133.74 . . 0 "[ . 1 . 2]"
18 . 1 31 LEU C 1 32 GLU N 1 32 GLU CA 1 32 GLU C -155.00 -43.00 -79.45 -90.26 -68.48 . . 0 "[ . 1 . 2]"
19 . 1 56 GLY C 1 57 THR N 1 57 THR CA 1 57 THR C -130.00 -50.00 -111.18 -115.61 -129.93 0.07 9 0 "[ . 1 . 2]"
20 . 1 57 THR C 1 58 PRO N 1 58 PRO CA 1 58 PRO C -81.00 -41.00 -63.64 -75.35 -51.58 . . 0 "[ . 1 . 2]"
21 . 1 59 GLU C 1 60 ILE N 1 60 ILE CA 1 60 ILE C -146.00 -30.00 -104.20 -99.49 -103.02 . . 0 "[ . 1 . 2]"
22 . 1 60 ILE C 1 61 PRO N 1 61 PRO CA 1 61 PRO C -81.00 -41.00 -59.74 -58.72 -59.88 . . 0 "[ . 1 . 2]"
23 . 1 61 PRO C 1 62 MET N 1 62 MET CA 1 62 MET C -153.00 -57.00 -89.77 -90.17 -92.12 . . 0 "[ . 1 . 2]"
24 . 1 62 MET C 1 63 CYS N 1 63 CYS CA 1 63 CYS C -160.00 -36.00 -58.88 -73.82 -57.10 . . 0 "[ . 1 . 2]"
25 . 1 63 CYS C 1 64 ALA N 1 64 ALA CA 1 64 ALA C -91.00 -35.00 -77.44 -89.48 -61.06 . . 0 "[ . 1 . 2]"
26 . 1 65 GLY C 1 66 CYS N 1 66 CYS CA 1 66 CYS C -174.00 -62.00 -110.94 -109.83 -128.67 . . 0 "[ . 1 . 2]"
27 . 1 68 GLN C 1 69 HIS N 1 69 HIS CA 1 69 HIS C 176.00 -64.00 -86.24 -76.53 -102.36 0.25 18 0 "[ . 1 . 2]"
28 . 1 69 HIS C 1 70 ILE N 1 70 ILE CA 1 70 ILE C -136.00 -40.00 -84.15 -68.76 -70.76 . . 0 "[ . 1 . 2]"
29 . 1 71 LEU C 1 72 ASP N 1 72 ASP CA 1 72 ASP C -125.00 -53.00 -105.86 -112.07 -99.17 . . 0 "[ . 1 . 2]"
30 . 1 74 PHE C 1 75 ILE N 1 75 ILE CA 1 75 ILE C -169.00 -105.00 -126.47 -124.86 -128.92 0.10 4 0 "[ . 1 . 2]"
31 . 1 75 ILE C 1 76 LEU N 1 76 LEU CA 1 76 LEU C -150.00 -90.00 -107.59 -115.15 -89.81 0.19 4 0 "[ . 1 . 2]"
32 . 1 76 LEU C 1 77 LYS N 1 77 LYS CA 1 77 LYS C -139.00 -91.00 -90.86 -91.48 -90.66 0.34 19 0 "[ . 1 . 2]"
33 . 1 77 LYS C 1 78 ALA N 1 78 ALA CA 1 78 ALA C -180.00 -88.00 -158.79 -176.70 -147.75 . . 0 "[ . 1 . 2]"
34 . 1 78 ALA C 1 79 LEU N 1 79 LEU CA 1 79 LEU C 33.00 73.00 57.99 57.01 55.45 . . 0 "[ . 1 . 2]"
35 . 1 81 ARG C 1 82 HIS N 1 82 HIS CA 1 82 HIS C -173.00 -69.00 -93.16 -105.34 -85.17 . . 0 "[ . 1 . 2]"
36 . 1 82 HIS C 1 83 TRP N 1 83 TRP CA 1 83 TRP C -172.00 -104.00 -112.58 -119.81 -105.73 . . 0 "[ . 1 . 2]"
37 . 1 84 HIS C 1 85 SER N 1 85 SER CA 1 85 SER C -80.00 -40.00 -77.25 -80.12 -57.59 0.12 12 0 "[ . 1 . 2]"
38 . 1 85 SER C 1 86 LYS N 1 86 LYS CA 1 86 LYS C -91.00 -51.00 -90.68 -90.97 -91.00 0.19 5 0 "[ . 1 . 2]"
39 . 1 88 LEU C 1 89 LYS N 1 89 LYS CA 1 89 LYS C -159.00 -75.00 -135.13 -158.35 -90.60 . . 0 "[ . 1 . 2]"
40 . 1 89 LYS C 1 90 CYS N 1 90 CYS CA 1 90 CYS C 161.00 -27.00 -63.05 -60.02 -60.46 . . 0 "[ . 1 . 2]"
41 . 1 90 CYS C 1 91 SER N 1 91 SER CA 1 91 SER C -80.00 -40.00 -68.08 -80.10 -57.75 0.10 11 0 "[ . 1 . 2]"
42 . 1 91 SER C 1 92 ASP N 1 92 ASP CA 1 92 ASP C -124.00 -68.00 -102.95 -97.57 -99.26 . . 0 "[ . 1 . 2]"
43 . 1 94 HIS C 1 95 VAL N 1 95 VAL CA 1 95 VAL C -144.00 -44.00 -88.13 -88.09 -90.46 . . 0 "[ . 1 . 2]"
44 . 1 95 VAL C 1 96 PRO N 1 96 PRO CA 1 96 PRO C -82.00 -42.00 -61.36 -73.21 -47.10 . . 0 "[ . 1 . 2]"
45 . 1 99 GLU C 1 100 ARG N 1 100 ARG CA 1 100 ARG C -161.00 -77.00 -138.84 -153.58 -119.40 . . 0 "[ . 1 . 2]"
46 . 1 100 ARG C 1 101 CYS N 1 101 CYS CA 1 101 CYS C -157.00 -113.00 -137.90 -131.06 -141.85 0.06 4 0 "[ . 1 . 2]"
47 . 1 101 CYS C 1 102 PHE N 1 102 PHE CA 1 102 PHE C -177.00 -93.00 -139.87 -176.97 -98.45 . . 0 "[ . 1 . 2]"
48 . 1 102 PHE C 1 103 SER N 1 103 SER CA 1 103 SER C -168.00 -96.00 -136.19 -155.59 -96.73 . . 0 "[ . 1 . 2]"
49 . 1 103 SER C 1 104 ARG N 1 104 ARG CA 1 104 ARG C 170.00 -46.00 -158.49 -156.24 -164.67 . . 0 "[ . 1 . 2]"
50 . 1 106 GLU C 1 107 SER N 1 107 SER CA 1 107 SER C -166.00 -42.00 -131.14 -162.66 -58.43 . . 0 "[ . 1 . 2]"
51 . 1 107 SER C 1 108 VAL N 1 108 VAL CA 1 108 VAL C -162.00 -78.00 -105.48 -149.13 -77.98 0.02 8 0 "[ . 1 . 2]"
52 . 1 108 VAL C 1 109 TYR N 1 109 TYR CA 1 109 TYR C -160.00 -108.00 -121.35 -116.69 -117.65 . . 0 "[ . 1 . 2]"
53 . 1 109 TYR C 1 110 CYS N 1 110 CYS CA 1 110 CYS C -140.00 -44.00 -83.68 -90.83 -97.98 . . 0 "[ . 1 . 2]"
54 . 1 110 CYS C 1 111 LYS N 1 111 LYS CA 1 111 LYS C -78.00 -38.00 -69.94 -73.65 -78.04 0.16 7 0 "[ . 1 . 2]"
55 . 1 111 LYS C 1 112 ASP N 1 112 ASP CA 1 112 ASP C -83.00 -43.00 -54.93 -50.91 -51.53 . . 0 "[ . 1 . 2]"
56 . 1 112 ASP C 1 113 ASP N 1 113 ASP CA 1 113 ASP C -84.00 -44.00 -77.81 -84.12 -71.27 0.12 11 0 "[ . 1 . 2]"
57 . 1 113 ASP C 1 114 PHE N 1 114 PHE CA 1 114 PHE C -83.00 -43.00 -64.45 -73.86 -58.16 . . 0 "[ . 1 . 2]"
58 . 1 114 PHE C 1 115 PHE N 1 115 PHE CA 1 115 PHE C -79.00 -39.00 -70.31 -69.19 -72.88 0.28 13 0 "[ . 1 . 2]"
59 . 1 115 PHE C 1 116 LYS N 1 116 LYS CA 1 116 LYS C -85.00 -45.00 -82.11 -84.36 -84.96 0.44 19 0 "[ . 1 . 2]"
60 . 1 116 LYS C 1 117 ARG N 1 117 ARG CA 1 117 ARG C -96.00 -48.00 -74.71 -96.04 -58.16 0.04 11 0 "[ . 1 . 2]"
61 . 1 117 ARG C 1 118 PHE N 1 118 PHE CA 1 118 PHE C -123.00 -67.00 -99.45 -117.03 -84.29 . . 0 "[ . 1 . 2]"
62 . 1 119 GLY C 1 120 THR N 1 120 THR CA 1 120 THR C -103.00 -47.00 -72.05 -65.30 -94.79 0.18 17 0 "[ . 1 . 2]"
63 . 1 121 LYS C 1 122 CYS N 1 122 CYS CA 1 122 CYS C -135.00 -43.00 -76.19 -116.50 -57.47 . . 0 "[ . 1 . 2]"
64 . 1 123 ALA C 1 124 ALA N 1 124 ALA CA 1 124 ALA C -125.00 -69.00 -123.01 -125.18 -125.22 0.30 16 0 "[ . 1 . 2]"
65 . 1 128 GLY C 1 129 ILE N 1 129 ILE CA 1 129 ILE C -154.00 -46.00 -72.35 -95.09 -59.53 . . 0 "[ . 1 . 2]"
66 . 1 130 PRO C 1 131 PRO N 1 131 PRO CA 1 131 PRO C -77.00 -37.00 -75.70 -77.48 -65.46 0.48 15 0 "[ . 1 . 2]"
67 . 1 131 PRO C 1 132 THR N 1 132 THR CA 1 132 THR C -126.00 -58.00 -125.04 -126.63 -120.23 0.63 6 0 "[ . 1 . 2]"
68 . 1 133 GLN C 1 134 VAL N 1 134 VAL CA 1 134 VAL C -129.00 -61.00 -103.55 -122.77 -123.59 0.13 11 0 "[ . 1 . 2]"
69 . 1 134 VAL C 1 135 VAL N 1 135 VAL CA 1 135 VAL C -157.00 -117.00 -151.97 -157.41 -143.08 0.41 15 0 "[ . 1 . 2]"
70 . 1 135 VAL C 1 136 ARG N 1 136 ARG CA 1 136 ARG C -177.00 -97.00 -96.56 -96.48 -96.59 1.20 6 0 "[ . 1 . 2]"
71 . 1 136 ARG C 1 137 ARG N 1 137 ARG CA 1 137 ARG C -177.00 -105.00 -108.16 -116.05 -104.61 0.39 6 0 "[ . 1 . 2]"
72 . 1 137 ARG C 1 138 ALA N 1 138 ALA CA 1 138 ALA C 171.00 -45.00 -81.05 -59.76 -64.41 . . 0 "[ . 1 . 2]"
73 . 1 140 ASP C 1 141 PHE N 1 141 PHE CA 1 141 PHE C -167.00 -59.00 -98.55 -153.43 -79.26 . . 0 "[ . 1 . 2]"
74 . 1 141 PHE C 1 142 VAL N 1 142 VAL CA 1 142 VAL C -150.00 -98.00 -113.64 -127.15 -103.57 . . 0 "[ . 1 . 2]"
75 . 1 142 VAL C 1 143 TYR N 1 143 TYR CA 1 143 TYR C -155.00 -103.00 -128.66 -132.66 -133.26 0.02 13 0 "[ . 1 . 2]"
76 . 1 143 TYR C 1 144 HIS N 1 144 HIS CA 1 144 HIS C -169.00 -25.00 -74.86 -71.53 -78.00 . . 0 "[ . 1 . 2]"
77 . 1 144 HIS C 1 145 LEU N 1 145 LEU CA 1 145 LEU C -81.00 -41.00 -69.49 -81.04 -81.07 0.23 19 0 "[ . 1 . 2]"
78 . 1 145 LEU C 1 146 HIS N 1 146 HIS CA 1 146 HIS C -91.00 -51.00 -89.29 -91.42 -81.94 0.42 5 0 "[ . 1 . 2]"
79 . 1 147 CYS C 1 148 PHE N 1 148 PHE CA 1 148 PHE C -121.00 -57.00 -68.77 -56.91 -56.91 0.16 9 0 "[ . 1 . 2]"
80 . 1 148 PHE C 1 149 ALA N 1 149 ALA CA 1 149 ALA C -172.00 -80.00 -168.59 -172.11 -172.15 0.34 18 0 "[ . 1 . 2]"
81 . 1 149 ALA C 1 150 CYS N 1 150 CYS CA 1 150 CYS C -180.00 -36.00 -84.41 -86.74 -92.23 . . 0 "[ . 1 . 2]"
82 . 1 152 VAL C 1 153 CYS N 1 153 CYS CA 1 153 CYS C -110.00 -66.00 -67.08 -85.02 -65.84 0.16 5 0 "[ . 1 . 2]"
83 . 1 154 LYS C 1 155 ARG N 1 155 ARG CA 1 155 ARG C -129.00 -45.00 -122.72 -129.13 -109.80 0.13 13 0 "[ . 1 . 2]"
84 . 1 157 LEU C 1 158 ALA N 1 158 ALA CA 1 158 ALA C -146.00 -58.00 -129.39 -146.10 -90.17 0.10 4 0 "[ . 1 . 2]"
85 . 1 158 ALA C 1 159 THR N 1 159 THR CA 1 159 THR C -77.00 -37.00 -44.68 -43.01 -43.01 . . 0 "[ . 1 . 2]"
86 . 1 159 THR C 1 160 GLY N 1 160 GLY CA 1 160 GLY C 75.00 115.00 99.98 101.85 98.92 . . 0 "[ . 1 . 2]"
87 . 1 160 GLY C 1 161 ASP N 1 161 ASP CA 1 161 ASP C -92.00 -52.00 -67.69 -77.29 -59.58 . . 0 "[ . 1 . 2]"
88 . 1 161 ASP C 1 162 GLU N 1 162 GLU CA 1 162 GLU C -164.00 -88.00 -88.78 -93.70 -87.87 0.13 14 0 "[ . 1 . 2]"
89 . 1 162 GLU C 1 163 PHE N 1 163 PHE CA 1 163 PHE C -159.00 -91.00 -136.27 -131.07 -133.75 . . 0 "[ . 1 . 2]"
90 . 1 163 PHE C 1 164 TYR N 1 164 TYR CA 1 164 TYR C -157.00 -97.00 -107.58 -101.48 -101.58 0.03 9 0 "[ . 1 . 2]"
91 . 1 164 TYR C 1 165 LEU N 1 165 LEU CA 1 165 LEU C -156.00 -88.00 -115.73 -99.94 -105.41 0.04 16 0 "[ . 1 . 2]"
92 . 1 166 MET C 1 167 GLU N 1 167 GLU CA 1 167 GLU C -83.00 -43.00 -65.48 -60.62 -62.70 0.23 7 0 "[ . 1 . 2]"
93 . 1 170 ARG C 1 171 LEU N 1 171 LEU CA 1 171 LEU C -167.00 -67.00 -85.78 -109.25 -66.92 0.08 13 0 "[ . 1 . 2]"
94 . 1 171 LEU C 1 172 VAL N 1 172 VAL CA 1 172 VAL C -145.00 -97.00 -144.41 -145.09 -145.11 0.34 11 0 "[ . 1 . 2]"
95 . 1 172 VAL C 1 173 CYS N 1 173 CYS CA 1 173 CYS C -154.00 -30.00 -70.63 -92.31 -53.00 . . 0 "[ . 1 . 2]"
96 . 1 173 CYS C 1 174 LYS N 1 174 LYS CA 1 174 LYS C -86.00 -46.00 -71.62 -74.80 -75.52 0.11 17 0 "[ . 1 . 2]"
97 . 1 174 LYS C 1 175 ALA N 1 175 ALA CA 1 175 ALA C -90.00 -38.00 -61.06 -57.35 -58.41 . . 0 "[ . 1 . 2]"
98 . 1 175 ALA C 1 176 ASP N 1 176 ASP CA 1 176 ASP C -104.00 -44.00 -80.84 -104.14 -58.81 0.14 6 0 "[ . 1 . 2]"
99 . 1 176 ASP C 1 177 TYR N 1 177 TYR CA 1 177 TYR C -82.00 -42.00 -57.96 -67.53 -54.54 . . 0 "[ . 1 . 2]"
100 . 1 177 TYR C 1 178 GLU N 1 178 GLU CA 1 178 GLU C -83.00 -43.00 -57.59 -67.78 -45.03 . . 0 "[ . 1 . 2]"
101 . 1 178 GLU C 1 179 THR N 1 179 THR CA 1 179 THR C -87.00 -47.00 -75.81 -87.09 -59.43 0.09 20 0 "[ . 1 . 2]"
102 . 1 179 THR C 1 180 ALA N 1 180 ALA CA 1 180 ALA C -97.00 -57.00 -91.31 -97.35 -76.07 0.35 6 0 "[ . 1 . 2]"
103 . 1 4 VAL N 1 4 VAL CA 1 4 VAL C 1 5 PRO N 66.00 178.00 114.51 81.26 152.36 . . 0 "[ . 1 . 2]"
104 . 1 7 VAL N 1 7 VAL CA 1 7 VAL C 1 8 MET N 115.00 163.00 156.31 126.92 159.48 . . 0 "[ . 1 . 2]"
105 . 1 9 VAL N 1 9 VAL CA 1 9 VAL C 1 10 VAL N 98.00 174.00 138.81 144.70 139.42 . . 0 "[ . 1 . 2]"
106 . 1 10 VAL N 1 10 VAL CA 1 10 VAL C 1 11 GLY N 106.00 146.00 146.19 146.20 146.19 0.42 5 0 "[ . 1 . 2]"
107 . 1 12 GLU N 1 12 GLU CA 1 12 GLU C 1 13 PRO N 73.00 177.00 135.26 139.39 137.39 . . 0 "[ . 1 . 2]"
108 . 1 13 PRO N 1 13 PRO CA 1 13 PRO C 1 14 THR N 130.00 170.00 138.61 143.47 142.92 0.09 6 0 "[ . 1 . 2]"
109 . 1 14 THR N 1 14 THR CA 1 14 THR C 1 15 LEU N 143.00 -177.00 151.80 142.85 167.90 0.15 7 0 "[ . 1 . 2]"
110 . 1 15 LEU N 1 15 LEU CA 1 15 LEU C 1 16 MET N 85.00 173.00 173.56 173.44 173.40 0.91 3 0 "[ . 1 . 2]"
111 . 1 22 ASP N 1 22 ASP CA 1 22 ASP C 1 23 GLU N -54.00 -14.00 -31.10 -28.47 -30.03 . . 0 "[ . 1 . 2]"
112 . 1 23 GLU N 1 23 GLU CA 1 23 GLU C 1 24 ASP N -57.00 7.00 -26.13 -27.90 -28.64 0.12 13 0 "[ . 1 . 2]"
113 . 1 25 GLU N 1 25 GLU CA 1 25 GLU C 1 26 ARG N 104.00 176.00 169.40 172.19 165.37 0.08 19 0 "[ . 1 . 2]"
114 . 1 26 ARG N 1 26 ARG CA 1 26 ARG C 1 27 LEU N 100.00 -172.00 114.44 99.94 147.87 0.06 16 0 "[ . 1 . 2]"
115 . 1 27 LEU N 1 27 LEU CA 1 27 LEU C 1 28 ILE N 109.00 165.00 162.93 144.03 165.21 0.21 20 0 "[ . 1 . 2]"
116 . 1 28 ILE N 1 28 ILE CA 1 28 ILE C 1 29 THR N 101.00 165.00 146.02 144.01 141.29 . . 0 "[ . 1 . 2]"
117 . 1 29 THR N 1 29 THR CA 1 29 THR C 1 30 ARG N 107.00 147.00 106.88 106.76 107.07 0.24 17 0 "[ . 1 . 2]"
118 . 1 30 ARG N 1 30 ARG CA 1 30 ARG C 1 31 LEU N 102.00 142.00 101.80 101.82 101.80 0.36 17 0 "[ . 1 . 2]"
119 . 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 GLU N 122.00 166.00 158.10 146.86 166.10 0.10 16 0 "[ . 1 . 2]"
120 . 1 32 GLU N 1 32 GLU CA 1 32 GLU C 1 33 ASN N 97.00 157.00 148.14 145.31 119.63 0.06 7 0 "[ . 1 . 2]"
121 . 1 57 THR N 1 57 THR CA 1 57 THR C 1 58 PRO N 83.00 163.00 93.72 140.90 89.56 0.03 13 0 "[ . 1 . 2]"
122 . 1 58 PRO N 1 58 PRO CA 1 58 PRO C 1 59 GLU N 121.00 169.00 164.81 154.61 169.00 0.00 13 0 "[ . 1 . 2]"
123 . 1 60 ILE N 1 60 ILE CA 1 60 ILE C 1 61 PRO N 90.00 158.00 135.19 134.63 136.65 . . 0 "[ . 1 . 2]"
124 . 1 61 PRO N 1 61 PRO CA 1 61 PRO C 1 62 MET N 126.00 166.00 125.93 125.92 125.91 0.13 5 0 "[ . 1 . 2]"
125 . 1 62 MET N 1 62 MET CA 1 62 MET C 1 63 CYS N 79.00 167.00 143.85 134.51 163.55 . . 0 "[ . 1 . 2]"
126 . 1 63 CYS N 1 63 CYS CA 1 63 CYS C 1 64 ALA N 92.00 164.00 154.65 164.14 155.29 0.29 12 0 "[ . 1 . 2]"
127 . 1 64 ALA N 1 64 ALA CA 1 64 ALA C 1 65 GLY N 115.00 155.00 114.70 114.59 114.85 0.41 2 0 "[ . 1 . 2]"
128 . 1 66 CYS N 1 66 CYS CA 1 66 CYS C 1 67 ASP N 105.00 -179.00 165.90 141.98 -178.82 0.18 6 0 "[ . 1 . 2]"
129 . 1 69 HIS N 1 69 HIS CA 1 69 HIS C 1 70 ILE N 111.00 -173.00 157.58 134.84 -177.55 . . 0 "[ . 1 . 2]"
130 . 1 70 ILE N 1 70 ILE CA 1 70 ILE C 1 71 LEU N 108.00 160.00 153.12 147.62 160.13 0.13 11 0 "[ . 1 . 2]"
131 . 1 72 ASP N 1 72 ASP CA 1 72 ASP C 1 73 ARG N 129.00 -179.00 169.94 138.14 -178.61 0.39 11 0 "[ . 1 . 2]"
132 . 1 75 ILE N 1 75 ILE CA 1 75 ILE C 1 76 LEU N 99.00 -173.00 150.80 151.24 148.20 . . 0 "[ . 1 . 2]"
133 . 1 76 LEU N 1 76 LEU CA 1 76 LEU C 1 77 LYS N 107.00 147.00 107.53 106.67 111.95 0.33 7 0 "[ . 1 . 2]"
134 . 1 77 LYS N 1 77 LYS CA 1 77 LYS C 1 78 ALA N 115.00 159.00 122.81 116.36 115.53 0.02 1 0 "[ . 1 . 2]"
135 . 1 78 ALA N 1 78 ALA CA 1 78 ALA C 1 79 LEU N 91.00 167.00 161.60 165.24 164.28 0.10 9 0 "[ . 1 . 2]"
136 . 1 79 LEU N 1 79 LEU CA 1 79 LEU C 1 80 ASP N 24.00 64.00 36.41 36.10 35.83 . . 0 "[ . 1 . 2]"
137 . 1 82 HIS N 1 82 HIS CA 1 82 HIS C 1 83 TRP N 118.00 170.00 121.94 124.31 121.24 0.12 5 0 "[ . 1 . 2]"
138 . 1 83 TRP N 1 83 TRP CA 1 83 TRP C 1 84 HIS N 123.00 175.00 128.25 130.04 128.24 0.08 6 0 "[ . 1 . 2]"
139 . 1 85 SER N 1 85 SER CA 1 85 SER C 1 86 LYS N -53.00 -13.00 -40.41 -40.21 -40.55 . . 0 "[ . 1 . 2]"
140 . 1 86 LYS N 1 86 LYS CA 1 86 LYS C 1 87 CYS N -55.00 1.00 -27.84 -48.90 -12.77 . . 0 "[ . 1 . 2]"
141 . 1 89 LYS N 1 89 LYS CA 1 89 LYS C 1 90 CYS N 116.00 180.00 154.92 152.21 150.59 . . 0 "[ . 1 . 2]"
142 . 1 90 CYS N 1 90 CYS CA 1 90 CYS C 1 91 SER N 107.00 147.00 141.76 146.89 138.44 0.13 9 0 "[ . 1 . 2]"
143 . 1 91 SER N 1 91 SER CA 1 91 SER C 1 92 ASP N -57.00 -1.00 -26.23 -39.91 -0.89 0.11 11 0 "[ . 1 . 2]"
144 . 1 92 ASP N 1 92 ASP CA 1 92 ASP C 1 93 CYS N -63.00 9.00 -60.05 -60.60 -62.92 0.15 3 0 "[ . 1 . 2]"
145 . 1 95 VAL N 1 95 VAL CA 1 95 VAL C 1 96 PRO N 71.00 171.00 152.58 152.15 149.34 . . 0 "[ . 1 . 2]"
146 . 1 96 PRO N 1 96 PRO CA 1 96 PRO C 1 97 LEU N 119.00 159.00 119.06 118.89 121.20 0.11 11 0 "[ . 1 . 2]"
147 . 1 100 ARG N 1 100 ARG CA 1 100 ARG C 1 101 CYS N 129.00 -179.00 150.92 128.97 174.36 0.03 17 0 "[ . 1 . 2]"
148 . 1 101 CYS N 1 101 CYS CA 1 101 CYS C 1 102 PHE N 128.00 176.00 147.18 163.87 158.92 0.09 17 0 "[ . 1 . 2]"
149 . 1 102 PHE N 1 102 PHE CA 1 102 PHE C 1 103 SER N 120.00 172.00 143.53 119.91 172.04 0.09 13 0 "[ . 1 . 2]"
150 . 1 103 SER N 1 103 SER CA 1 103 SER C 1 104 ARG N 112.00 176.00 147.77 117.82 174.12 . . 0 "[ . 1 . 2]"
151 . 1 104 ARG N 1 104 ARG CA 1 104 ARG C 1 105 GLY N 124.00 172.00 126.96 123.95 172.06 0.06 4 0 "[ . 1 . 2]"
152 . 1 107 SER N 1 107 SER CA 1 107 SER C 1 108 VAL N 80.00 -168.00 166.28 177.96 173.73 . . 0 "[ . 1 . 2]"
153 . 1 108 VAL N 1 108 VAL CA 1 108 VAL C 1 109 TYR N 116.00 172.00 118.98 115.99 115.99 0.14 10 0 "[ . 1 . 2]"
154 . 1 109 TYR N 1 109 TYR CA 1 109 TYR C 1 110 CYS N 121.00 177.00 147.96 173.24 170.52 0.11 13 0 "[ . 1 . 2]"
155 . 1 110 CYS N 1 110 CYS CA 1 110 CYS C 1 111 LYS N 136.00 180.00 165.55 176.76 173.99 0.06 5 0 "[ . 1 . 2]"
156 . 1 111 LYS N 1 111 LYS CA 1 111 LYS C 1 112 ASP N -60.00 -20.00 -33.79 -48.97 -19.98 0.02 3 0 "[ . 1 . 2]"
157 . 1 112 ASP N 1 112 ASP CA 1 112 ASP C 1 113 ASP N -58.00 -18.00 -47.42 -30.55 -48.86 0.16 14 0 "[ . 1 . 2]"
158 . 1 113 ASP N 1 113 ASP CA 1 113 ASP C 1 114 PHE N -61.00 -21.00 -21.65 -29.75 -20.49 0.51 17 0 "[ . 1 . 2]"
159 . 1 114 PHE N 1 114 PHE CA 1 114 PHE C 1 115 PHE N -63.00 -23.00 -34.39 -49.81 -26.36 . . 0 "[ . 1 . 2]"
160 . 1 115 PHE N 1 115 PHE CA 1 115 PHE C 1 116 LYS N -62.00 -22.00 -40.07 -36.80 -39.21 . . 0 "[ . 1 . 2]"
161 . 1 116 LYS N 1 116 LYS CA 1 116 LYS C 1 117 ARG N -64.00 -24.00 -45.26 -44.40 -51.03 0.11 8 0 "[ . 1 . 2]"
162 . 1 117 ARG N 1 117 ARG CA 1 117 ARG C 1 118 PHE N -61.00 -21.00 -51.57 -57.84 -37.25 . . 0 "[ . 1 . 2]"
163 . 1 118 PHE N 1 118 PHE CA 1 118 PHE C 1 119 GLY N -43.00 37.00 -3.70 37.01 36.89 0.11 3 0 "[ . 1 . 2]"
164 . 1 120 THR N 1 120 THR CA 1 120 THR C 1 121 LYS N 111.00 155.00 152.20 142.92 155.08 0.08 12 0 "[ . 1 . 2]"
165 . 1 122 CYS N 1 122 CYS CA 1 122 CYS C 1 123 ALA N 90.00 174.00 135.96 127.60 155.80 . . 0 "[ . 1 . 2]"
166 . 1 124 ALA N 1 124 ALA CA 1 124 ALA C 1 125 CYS N -58.00 -2.00 -53.89 -58.18 -41.54 0.18 8 0 "[ . 1 . 2]"
167 . 1 129 ILE N 1 129 ILE CA 1 129 ILE C 1 130 PRO N 64.00 172.00 133.80 138.14 134.34 . . 0 "[ . 1 . 2]"
168 . 1 131 PRO N 1 131 PRO CA 1 131 PRO C 1 132 THR N -55.00 -7.00 -52.97 -55.71 -47.03 0.71 5 0 "[ . 1 . 2]"
169 . 1 132 THR N 1 132 THR CA 1 132 THR C 1 133 GLN N -35.00 21.00 21.71 21.39 22.17 1.17 17 0 "[ . 1 . 2]"
170 . 1 134 VAL N 1 134 VAL CA 1 134 VAL C 1 135 VAL N 109.00 165.00 110.02 114.35 112.16 0.70 15 0 "[ . 1 . 2]"
171 . 1 135 VAL N 1 135 VAL CA 1 135 VAL C 1 136 ARG N 136.00 -176.00 160.66 162.72 161.72 . . 0 "[ . 1 . 2]"
172 . 1 136 ARG N 1 136 ARG CA 1 136 ARG C 1 137 ARG N 135.00 175.00 137.61 141.86 139.24 0.19 7 0 "[ . 1 . 2]"
173 . 1 137 ARG N 1 137 ARG CA 1 137 ARG C 1 138 ALA N 113.00 173.00 139.25 112.92 173.09 0.09 17 0 "[ . 1 . 2]"
174 . 1 138 ALA N 1 138 ALA CA 1 138 ALA C 1 139 GLN N 97.00 169.00 103.63 96.65 96.57 1.00 18 0 "[ . 1 . 2]"
175 . 1 141 PHE N 1 141 PHE CA 1 141 PHE C 1 142 VAL N 111.00 179.00 165.63 157.17 178.25 . . 0 "[ . 1 . 2]"
176 . 1 142 VAL N 1 142 VAL CA 1 142 VAL C 1 143 TYR N 109.00 169.00 145.92 119.78 157.24 . . 0 "[ . 1 . 2]"
177 . 1 143 TYR N 1 143 TYR CA 1 143 TYR C 1 144 HIS N 119.00 175.00 161.95 134.78 175.13 0.13 19 0 "[ . 1 . 2]"
178 . 1 144 HIS N 1 144 HIS CA 1 144 HIS C 1 145 LEU N 101.00 -151.00 151.18 165.24 163.40 . . 0 "[ . 1 . 2]"
179 . 1 145 LEU N 1 145 LEU CA 1 145 LEU C 1 146 HIS N -58.00 -18.00 -24.19 -33.42 -17.74 0.26 15 0 "[ . 1 . 2]"
180 . 1 146 HIS N 1 146 HIS CA 1 146 HIS C 1 147 CYS N -49.00 19.00 -44.47 -49.31 -36.00 0.31 18 0 "[ . 1 . 2]"
181 . 1 148 PHE N 1 148 PHE CA 1 148 PHE C 1 149 ALA N 68.00 160.00 111.52 91.82 121.92 . . 0 "[ . 1 . 2]"
182 . 1 149 ALA N 1 149 ALA CA 1 149 ALA C 1 150 CYS N 115.00 -177.00 176.89 154.24 -176.87 0.13 6 0 "[ . 1 . 2]"
183 . 1 150 CYS N 1 150 CYS CA 1 150 CYS C 1 151 VAL N 110.00 150.00 150.11 149.96 150.43 0.43 13 0 "[ . 1 . 2]"
184 . 1 153 CYS N 1 153 CYS CA 1 153 CYS C 1 154 LYS N -28.00 24.00 -27.72 -28.05 -28.09 0.19 5 0 "[ . 1 . 2]"
185 . 1 155 ARG N 1 155 ARG CA 1 155 ARG C 1 156 GLN N 113.00 153.00 142.83 141.15 140.03 0.05 20 0 "[ . 1 . 2]"
186 . 1 158 ALA N 1 158 ALA CA 1 158 ALA C 1 159 THR N 85.00 -167.00 167.01 157.67 177.73 . . 0 "[ . 1 . 2]"
187 . 1 159 THR N 1 159 THR CA 1 159 THR C 1 160 GLY N 114.00 154.00 128.80 122.04 138.55 . . 0 "[ . 1 . 2]"
188 . 1 160 GLY N 1 160 GLY CA 1 160 GLY C 1 161 ASP N -37.00 7.00 -26.63 -34.36 -21.36 . . 0 "[ . 1 . 2]"
189 . 1 161 ASP N 1 161 ASP CA 1 161 ASP C 1 162 GLU N 129.00 169.00 129.62 129.13 129.03 0.18 4 0 "[ . 1 . 2]"
190 . 1 162 GLU N 1 162 GLU CA 1 162 GLU C 1 163 PHE N 113.00 177.00 120.85 113.89 129.61 . . 0 "[ . 1 . 2]"
191 . 1 163 PHE N 1 163 PHE CA 1 163 PHE C 1 164 TYR N 119.00 179.00 156.13 151.28 147.72 0.07 17 0 "[ . 1 . 2]"
192 . 1 164 TYR N 1 164 TYR CA 1 164 TYR C 1 165 LEU N 115.00 171.00 156.83 114.91 171.17 0.17 7 0 "[ . 1 . 2]"
193 . 1 165 LEU N 1 165 LEU CA 1 165 LEU C 1 166 MET N 111.00 151.00 114.03 127.09 123.20 0.22 17 0 "[ . 1 . 2]"
194 . 1 167 GLU N 1 167 GLU CA 1 167 GLU C 1 168 ASP N -49.00 -9.00 -31.06 -23.60 -25.57 0.20 10 0 "[ . 1 . 2]"
195 . 1 171 LEU N 1 171 LEU CA 1 171 LEU C 1 172 VAL N 121.00 177.00 125.74 120.83 133.29 0.17 12 0 "[ . 1 . 2]"
196 . 1 172 VAL N 1 172 VAL CA 1 172 VAL C 1 173 CYS N 119.00 159.00 128.48 118.84 140.76 0.16 16 0 "[ . 1 . 2]"
197 . 1 173 CYS N 1 173 CYS CA 1 173 CYS C 1 174 LYS N 108.00 -164.00 -177.93 -169.27 -169.37 . . 0 "[ . 1 . 2]"
198 . 1 174 LYS N 1 174 LYS CA 1 174 LYS C 1 175 ALA N -61.00 -21.00 -46.40 -51.79 -55.86 0.08 15 0 "[ . 1 . 2]"
199 . 1 175 ALA N 1 175 ALA CA 1 175 ALA C 1 176 ASP N -59.00 -19.00 -40.37 -59.07 -23.56 0.07 11 0 "[ . 1 . 2]"
200 . 1 176 ASP N 1 176 ASP CA 1 176 ASP C 1 177 TYR N -72.00 4.00 -12.97 -9.33 -14.54 0.15 17 0 "[ . 1 . 2]"
201 . 1 177 TYR N 1 177 TYR CA 1 177 TYR C 1 178 GLU N -66.00 -26.00 -65.90 -66.19 -63.72 0.19 3 0 "[ . 1 . 2]"
202 . 1 178 GLU N 1 178 GLU CA 1 178 GLU C 1 179 THR N -70.00 2.00 -29.70 -32.83 -44.91 . . 0 "[ . 1 . 2]"
203 . 1 179 THR N 1 179 THR CA 1 179 THR C 1 180 ALA N -60.00 -12.00 -30.03 -39.75 -21.72 . . 0 "[ . 1 . 2]"
204 . 1 180 ALA N 1 180 ALA CA 1 180 ALA C 1 181 LYS N -52.00 4.00 -31.91 -32.19 -49.58 0.07 7 0 "[ . 1 . 2]"
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