NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
527814 |
2l8l   |
17414 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2l8l
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 163
_TA_constraint_stats_list.Viol_count 931
_TA_constraint_stats_list.Viol_total 98919.40
_TA_constraint_stats_list.Viol_max 146.48
_TA_constraint_stats_list.Viol_rms 8.51
_TA_constraint_stats_list.Viol_average_all_restraints 1.52
_TA_constraint_stats_list.Viol_average_violations_only 5.31
_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 1 CYS C 1 2 LEU N 1 2 LEU CA 1 2 LEU C -127.00 -87.00 -109.65 -123.22 -91.45 . . 0 "[ . 1 . 2]"
2 . 1 5 GLY C 1 6 THR N 1 6 THR CA 1 6 THR C -111.26 -54.02 -68.41 -68.47 -68.92 . . 0 "[ . 1 . 2]"
3 . 1 6 THR C 1 7 ARG N 1 7 ARG CA 1 7 ARG C -126.49 -76.29 -88.39 -98.35 -80.57 . . 0 "[ . 1 . 2]"
4 . 1 7 ARG C 1 8 ILE N 1 8 ILE CA 1 8 ILE C -133.18 -85.34 -121.27 -135.62 -99.17 2.44 15 0 "[ . 1 . 2]"
5 . 1 8 ILE C 1 9 PHE N 1 9 PHE CA 1 9 PHE C -130.70 -78.38 -77.11 -77.25 -77.40 2.91 16 0 "[ . 1 . 2]"
6 . 1 9 PHE C 1 10 ASP N 1 10 ASP CA 1 10 ASP C -153.58 -84.50 -104.60 -111.68 -96.06 . . 0 "[ . 1 . 2]"
7 . 1 11 PRO C 1 12 VAL N 1 12 VAL CA 1 12 VAL C -78.54 -38.34 -69.49 -64.07 -69.13 . . 0 "[ . 1 . 2]"
8 . 1 15 THR C 1 16 THR N 1 16 THR CA 1 16 THR C -122.18 -80.94 -92.23 -90.26 -112.23 2.47 14 0 "[ . 1 . 2]"
9 . 1 16 THR C 1 17 HIS N 1 17 HIS CA 1 17 HIS C -151.84 -101.20 -103.68 -101.30 -101.84 3.88 7 0 "[ . 1 . 2]"
10 . 1 17 HIS C 1 18 ARG N 1 18 ARG CA 1 18 ARG C -93.70 -58.66 -98.37 -95.66 -96.53 7.73 18 10 "[* *-* ** * .* + *]"
11 . 1 18 ARG C 1 19 ILE N 1 19 ILE CA 1 19 ILE C -70.81 -54.77 -52.81 -54.09 -51.40 3.37 9 0 "[ . 1 . 2]"
12 . 1 19 ILE C 1 20 GLU N 1 20 GLU CA 1 20 GLU C -75.98 -50.30 -58.37 -60.78 -53.74 . . 0 "[ . 1 . 2]"
13 . 1 20 GLU C 1 21 ASP N 1 21 ASP CA 1 21 ASP C -80.52 -43.12 -83.06 -82.25 -83.10 4.79 10 0 "[ . 1 . 2]"
14 . 1 21 ASP C 1 22 VAL N 1 22 VAL CA 1 22 VAL C -67.36 -58.96 -67.44 -67.90 -68.09 2.35 10 0 "[ . 1 . 2]"
15 . 1 22 VAL C 1 23 VAL N 1 23 VAL CA 1 23 VAL C -79.18 -42.54 -72.86 -76.14 -77.42 . . 0 "[ . 1 . 2]"
16 . 1 23 VAL C 1 24 ASP N 1 24 ASP CA 1 24 ASP C -73.99 -56.63 -57.50 -60.87 -54.15 2.48 20 0 "[ . 1 . 2]"
17 . 1 30 HIS C 1 31 VAL N 1 31 VAL CA 1 31 VAL C -148.66 -99.02 -148.28 -151.08 -146.20 2.42 14 0 "[ . 1 . 2]"
18 . 1 32 VAL C 1 33 ALA N 1 33 ALA CA 1 33 ALA C -155.16 -104.00 -109.49 -111.60 -113.36 1.62 17 0 "[ . 1 . 2]"
19 . 1 33 ALA C 1 34 ALA N 1 34 ALA CA 1 34 ALA C -138.74 -98.10 -133.94 -139.22 -117.02 0.48 2 0 "[ . 1 . 2]"
20 . 1 34 ALA C 1 35 ALA N 1 35 ALA CA 1 35 ALA C -112.91 -76.35 -114.74 -115.39 -116.12 3.85 10 0 "[ . 1 . 2]"
21 . 1 35 ALA C 1 36 LYS N 1 36 LYS CA 1 36 LYS C -79.09 -48.41 -70.67 -70.80 -71.40 . . 0 "[ . 1 . 2]"
22 . 1 37 ASP C 1 38 GLY N 1 38 GLY CA 1 38 GLY C 58.18 98.34 89.10 83.30 95.90 . . 0 "[ . 1 . 2]"
23 . 1 38 GLY C 1 39 THR N 1 39 THR CA 1 39 THR C -95.71 -47.71 -95.73 -103.11 -73.10 7.40 19 12 "[ * .***** * .-**+*]"
24 . 1 39 THR C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -124.65 -82.01 -96.16 -98.94 -99.78 . . 0 "[ . 1 . 2]"
25 . 1 40 LEU C 1 41 HIS N 1 41 HIS CA 1 41 HIS C -160.90 -114.02 -141.03 -147.72 -136.76 . . 0 "[ . 1 . 2]"
26 . 1 41 HIS C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -118.65 -78.37 -70.42 -71.20 -71.62 9.67 14 19 [*************+.*-***]
27 . 1 42 ALA C 1 43 ARG N 1 43 ARG CA 1 43 ARG C -154.03 -97.39 -145.39 -146.24 -147.81 . . 0 "[ . 1 . 2]"
28 . 1 45 VAL C 1 46 VAL N 1 46 VAL CA 1 46 VAL C -124.93 -96.81 -125.66 -139.49 -111.80 14.56 15 2 "[ . - 1 + 2]"
29 . 1 48 TRP C 1 49 PHE N 1 49 PHE CA 1 49 PHE C -132.09 -88.53 -139.65 -144.80 -131.22 12.71 5 16 "[****+** ** * **-* **]"
30 . 1 49 PHE C 1 50 ASP N 1 50 ASP CA 1 50 ASP C -116.07 -74.15 -97.06 -116.08 -86.88 0.01 13 0 "[ . 1 . 2]"
31 . 1 53 THR C 1 54 ARG N 1 54 ARG CA 1 54 ARG C -154.22 -96.62 -147.51 -157.27 -138.31 3.05 8 0 "[ . 1 . 2]"
32 . 1 54 ARG C 1 55 ASP N 1 55 ASP CA 1 55 ASP C -135.46 -77.70 -75.82 -78.53 -73.10 4.60 1 0 "[ . 1 . 2]"
33 . 1 55 ASP C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -158.01 -107.05 -141.51 -147.15 -128.88 . . 0 "[ . 1 . 2]"
34 . 1 58 GLY C 1 59 LEU N 1 59 LEU CA 1 59 LEU C -138.36 -85.16 -116.15 -129.00 -102.55 . . 0 "[ . 1 . 2]"
35 . 1 59 LEU C 1 60 ARG N 1 60 ARG CA 1 60 ARG C -130.27 -79.23 -90.33 -91.53 -95.95 0.56 4 0 "[ . 1 . 2]"
36 . 1 60 ARG C 1 61 ILE N 1 61 ILE CA 1 61 ILE C -125.35 -84.15 -103.08 -98.99 -99.95 . . 0 "[ . 1 . 2]"
37 . 1 64 GLY C 1 65 ALA N 1 65 ALA CA 1 65 ALA C -117.62 -60.42 -83.80 -98.58 -53.25 7.17 1 4 "[+ * * 1 - . 2]"
38 . 1 65 ALA C 1 66 ILE N 1 66 ILE CA 1 66 ILE C -146.66 -95.30 -125.10 -126.87 -129.19 . . 0 "[ . 1 . 2]"
39 . 1 66 ILE C 1 67 LEU N 1 67 LEU CA 1 67 LEU C -142.01 -88.49 -130.92 -138.61 -142.79 4.20 7 0 "[ . 1 . 2]"
40 . 1 67 LEU C 1 68 TRP N 1 68 TRP CA 1 68 TRP C -129.18 -86.46 -103.96 -103.05 -103.73 . . 0 "[ . 1 . 2]"
41 . 1 68 TRP C 1 69 ALA N 1 69 ALA CA 1 69 ALA C -152.69 -106.89 -145.70 -154.85 -127.51 2.16 12 0 "[ . 1 . 2]"
42 . 1 71 PRO C 1 72 ASP N 1 72 ASP CA 1 72 ASP C -111.91 -78.63 -91.08 -98.07 -80.97 . . 0 "[ . 1 . 2]"
43 . 1 72 ASP C 1 73 HIS N 1 73 HIS CA 1 73 HIS C -88.88 -65.64 -71.24 -73.81 -66.81 . . 0 "[ . 1 . 2]"
44 . 1 73 HIS C 1 74 LYS N 1 74 LYS CA 1 74 LYS C -109.80 -78.08 -86.44 -90.44 -82.72 . . 0 "[ . 1 . 2]"
45 . 1 76 LEU C 1 77 THR N 1 77 THR CA 1 77 THR C -132.68 -108.48 -99.27 -98.34 -98.68 11.23 19 19 "[****-***** *******+*]"
46 . 1 80 GLY C 1 81 TRP N 1 81 TRP CA 1 81 TRP C -116.50 -66.18 -85.59 -97.38 -98.72 9.17 19 5 "[ - ** * . +2]"
47 . 1 81 TRP C 1 82 ARG N 1 82 ARG CA 1 82 ARG C -152.23 -101.51 -138.41 -146.38 -122.56 . . 0 "[ . 1 . 2]"
48 . 1 82 ARG C 1 83 ALA N 1 83 ALA CA 1 83 ALA C -102.39 -53.91 -56.97 -53.95 -54.25 1.13 19 0 "[ . 1 . 2]"
49 . 1 83 ALA C 1 84 ALA N 1 84 ALA CA 1 84 ALA C -77.63 -46.03 -63.72 -72.34 -59.97 . . 0 "[ . 1 . 2]"
50 . 1 87 LEU C 1 88 ARG N 1 88 ARG CA 1 88 ARG C -141.41 -98.81 -131.91 -142.08 -127.88 0.67 16 0 "[ . 1 . 2]"
51 . 1 90 GLY C 1 91 ASP N 1 91 ASP CA 1 91 ASP C -96.75 -53.47 -84.67 -83.63 -84.09 . . 0 "[ . 1 . 2]"
52 . 1 91 ASP C 1 92 ARG N 1 92 ARG CA 1 92 ARG C -149.15 -92.59 -90.72 -93.37 -88.57 4.02 20 0 "[ . 1 . 2]"
53 . 1 92 ARG C 1 93 VAL N 1 93 VAL CA 1 93 VAL C -156.92 -105.04 -119.84 -135.08 -108.90 . . 0 "[ . 1 . 2]"
54 . 1 94 ALA C 1 95 VAL N 1 95 VAL CA 1 95 VAL C -146.76 -122.64 -130.13 -138.55 -121.66 0.98 6 0 "[ . 1 . 2]"
55 . 1 96 ARG C 1 97 ASP N 1 97 ASP CA 1 97 ASP C -96.79 -59.19 -100.45 -101.77 -98.54 4.98 20 0 "[ . 1 . 2]"
56 . 1 97 ASP C 1 98 VAL N 1 98 VAL CA 1 98 VAL C -72.79 -51.91 -75.23 -77.21 -73.94 4.42 17 0 "[ . 1 . 2]"
57 . 1 98 VAL C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -100.74 -48.58 -70.02 -69.65 -69.77 . . 0 "[ . 1 . 2]"
58 . 1 99 GLU C 1 100 THR N 1 100 THR CA 1 100 THR C -142.17 -82.21 -97.30 -103.39 -93.10 . . 0 "[ . 1 . 2]"
59 . 1 102 GLU C 1 103 LEU N 1 103 LEU CA 1 103 LEU C -109.99 -61.03 -80.03 -86.79 -71.12 . . 0 "[ . 1 . 2]"
60 . 1 103 LEU C 1 104 ARG N 1 104 ARG CA 1 104 ARG C -152.29 -116.61 -135.20 -142.64 -126.81 . . 0 "[ . 1 . 2]"
61 . 1 104 ARG C 1 105 TYR N 1 105 TYR CA 1 105 TYR C -135.43 -81.79 -108.38 -109.46 -110.32 3.51 16 0 "[ . 1 . 2]"
62 . 1 105 TYR C 1 106 SER N 1 106 SER CA 1 106 SER C 179.97 -115.63 -140.06 -139.78 -141.22 . . 0 "[ . 1 . 2]"
63 . 1 109 ARG C 1 110 GLU N 1 110 GLU CA 1 110 GLU C -160.22 -102.18 -166.40 -169.45 -164.62 9.23 13 16 "[ ***.*** - *+*******]"
64 . 1 110 GLU C 1 111 VAL N 1 111 VAL CA 1 111 VAL C -146.78 -95.06 -95.21 -97.63 -92.81 2.25 16 0 "[ . 1 . 2]"
65 . 1 111 VAL C 1 112 LEU N 1 112 LEU CA 1 112 LEU C -111.45 -79.65 -100.60 -98.99 -99.57 . . 0 "[ . 1 . 2]"
66 . 1 114 THR C 1 115 ARG N 1 115 ARG CA 1 115 ARG C -149.99 -98.55 -141.51 -154.71 -132.30 4.72 12 0 "[ . 1 . 2]"
67 . 1 116 ARG C 1 117 ALA N 1 117 ALA CA 1 117 ALA C -171.33 -120.73 -171.06 -174.61 -162.89 3.28 10 0 "[ . 1 . 2]"
68 . 1 118 ARG C 1 119 THR N 1 119 THR CA 1 119 THR C -145.97 -115.65 -126.99 -128.78 -129.41 0.67 20 0 "[ . 1 . 2]"
69 . 1 119 THR C 1 120 PHE N 1 120 PHE CA 1 120 PHE C -150.31 -112.23 -118.66 -115.60 -115.66 . . 0 "[ . 1 . 2]"
70 . 1 120 PHE C 1 121 ASP N 1 121 ASP CA 1 121 ASP C -154.08 -117.64 -151.14 -160.72 -143.37 6.64 20 1 "[ . 1 . +]"
71 . 1 121 ASP C 1 122 LEU N 1 122 LEU CA 1 122 LEU C -144.43 -116.83 -122.15 -126.00 -130.23 2.23 4 0 "[ . 1 . 2]"
72 . 1 122 LEU C 1 123 GLU N 1 123 GLU CA 1 123 GLU C -154.27 -90.55 -112.11 -135.32 -136.38 3.96 7 0 "[ . 1 . 2]"
73 . 1 123 GLU C 1 124 VAL N 1 124 VAL CA 1 124 VAL C -131.66 -78.18 -86.47 -91.94 -80.60 . . 0 "[ . 1 . 2]"
74 . 1 126 GLU C 1 127 LEU N 1 127 LEU CA 1 127 LEU C -89.80 -39.36 -85.54 -100.44 -71.04 10.64 4 6 "[ * +. ** - . *2]"
75 . 1 129 THR C 1 130 LEU N 1 130 LEU CA 1 130 LEU C -163.96 -99.48 -148.55 -151.15 -151.47 . . 0 "[ . 1 . 2]"
76 . 1 130 LEU C 1 131 VAL N 1 131 VAL CA 1 131 VAL C -131.19 -97.11 -89.24 -93.14 -84.88 12.23 10 18 "[* **-****+******** *]"
77 . 1 131 VAL C 1 132 ALA N 1 132 ALA CA 1 132 ALA C -133.13 -100.05 -133.59 -134.23 -134.86 2.15 11 0 "[ . 1 . 2]"
78 . 1 134 GLY C 1 135 VAL N 1 135 VAL CA 1 135 VAL C -127.70 -91.22 -104.24 -132.67 -88.76 4.97 17 0 "[ . 1 . 2]"
79 . 1 135 VAL C 1 136 VAL N 1 136 VAL CA 1 136 VAL C -117.12 -65.48 -107.29 -105.32 -106.41 . . 0 "[ . 1 . 2]"
80 . 1 136 VAL C 1 137 VAL N 1 137 VAL CA 1 137 VAL C -143.81 -121.45 -147.59 -146.14 -146.54 6.13 6 3 "[ .+ 1 - . *]"
81 . 1 2 LEU N 1 2 LEU CA 1 2 LEU C 1 3 ALA N 127.00 155.00 136.93 131.85 143.72 . . 0 "[ . 1 . 2]"
82 . 1 3 ALA N 1 3 ALA CA 1 3 ALA C 1 4 GLU N 135.00 159.00 162.45 162.66 162.46 5.13 11 1 "[ . 1+ . 2]"
83 . 1 6 THR N 1 6 THR CA 1 6 THR C 1 7 ARG N 119.94 149.54 122.73 123.48 122.81 . . 0 "[ . 1 . 2]"
84 . 1 7 ARG N 1 7 ARG CA 1 7 ARG C 1 8 ILE N 119.34 144.86 135.69 112.63 150.62 6.71 18 5 "[ . ** 1 *- . + 2]"
85 . 1 8 ILE N 1 8 ILE CA 1 8 ILE C 1 9 PHE N 111.96 143.40 110.28 106.30 117.33 5.66 3 2 "[ + . 1- . 2]"
86 . 1 9 PHE N 1 9 PHE CA 1 9 PHE C 1 10 ASP N 110.37 142.21 131.56 129.80 129.69 . . 0 "[ . 1 . 2]"
87 . 1 10 ASP N 1 10 ASP CA 1 10 ASP C 1 11 PRO N 101.14 143.66 127.25 110.24 134.93 . . 0 "[ . 1 . 2]"
88 . 1 12 VAL N 1 12 VAL CA 1 12 VAL C 1 13 THR N -55.61 -16.57 -55.42 -59.60 -52.61 3.99 20 0 "[ . 1 . 2]"
89 . 1 16 THR N 1 16 THR CA 1 16 THR C 1 17 HIS N 118.06 140.22 117.04 115.00 120.64 3.06 16 0 "[ . 1 . 2]"
90 . 1 17 HIS N 1 17 HIS CA 1 17 HIS C 1 18 ARG N 134.84 169.24 145.09 138.60 151.80 . . 0 "[ . 1 . 2]"
91 . 1 18 ARG N 1 18 ARG CA 1 18 ARG C 1 19 ILE N 123.31 163.55 127.48 123.05 132.74 0.26 8 0 "[ . 1 . 2]"
92 . 1 19 ILE N 1 19 ILE CA 1 19 ILE C 1 20 GLU N -47.58 -19.58 -40.26 -40.80 -40.83 . . 0 "[ . 1 . 2]"
93 . 1 20 GLU N 1 20 GLU CA 1 20 GLU C 1 21 ASP N -67.42 -16.34 -34.73 -36.64 -32.08 . . 0 "[ . 1 . 2]"
94 . 1 21 ASP N 1 21 ASP CA 1 21 ASP C 1 22 VAL N -56.00 -24.20 -37.92 -36.89 -37.22 . . 0 "[ . 1 . 2]"
95 . 1 22 VAL N 1 22 VAL CA 1 22 VAL C 1 23 VAL N -55.59 -34.47 -42.44 -45.61 -40.67 . . 0 "[ . 1 . 2]"
96 . 1 23 VAL N 1 23 VAL CA 1 23 VAL C 1 24 ASP N -53.70 -28.50 -46.03 -43.56 -44.58 . . 0 "[ . 1 . 2]"
97 . 1 24 ASP N 1 24 ASP CA 1 24 ASP C 1 25 GLY N -46.96 -12.00 -36.39 -42.41 -30.77 . . 0 "[ . 1 . 2]"
98 . 1 31 VAL N 1 31 VAL CA 1 31 VAL C 1 32 VAL N 128.71 170.03 171.21 169.70 173.96 3.93 17 0 "[ . 1 . 2]"
99 . 1 33 ALA N 1 33 ALA CA 1 33 ALA C 1 34 ALA N 137.56 166.28 163.67 164.33 155.64 1.81 19 0 "[ . 1 . 2]"
100 . 1 34 ALA N 1 34 ALA CA 1 34 ALA C 1 35 ALA N 126.27 148.51 142.14 137.08 145.71 . . 0 "[ . 1 . 2]"
101 . 1 36 LYS N 1 36 LYS CA 1 36 LYS C 1 37 ASP N -41.44 2.80 -14.02 -16.33 -11.60 . . 0 "[ . 1 . 2]"
102 . 1 39 THR N 1 39 THR CA 1 39 THR C 1 40 LEU N 138.06 169.02 139.19 133.84 151.09 4.22 18 0 "[ . 1 . 2]"
103 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 HIS N 124.85 153.29 131.73 134.10 133.05 . . 0 "[ . 1 . 2]"
104 . 1 41 HIS N 1 41 HIS CA 1 41 HIS C 1 42 ALA N 138.98 167.54 139.26 141.48 140.05 2.27 6 0 "[ . 1 . 2]"
105 . 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 ARG N 114.93 150.05 142.26 136.12 147.54 . . 0 "[ . 1 . 2]"
106 . 1 43 ARG N 1 43 ARG CA 1 43 ARG C 1 44 PRO N 138.37 158.69 139.04 140.35 138.91 1.85 8 0 "[ . 1 . 2]"
107 . 1 44 PRO N 1 44 PRO CA 1 44 PRO C 1 45 VAL N 124.16 157.68 157.51 157.57 157.28 2.38 14 0 "[ . 1 . 2]"
108 . 1 49 PHE N 1 49 PHE CA 1 49 PHE C 1 50 ASP N 110.59 142.35 146.59 146.27 145.86 8.36 20 5 "[ . * * *. - +]"
109 . 1 50 ASP N 1 50 ASP CA 1 50 ASP C 1 51 GLN N 100.17 140.93 135.76 125.77 141.22 0.29 11 0 "[ . 1 . 2]"
110 . 1 54 ARG N 1 54 ARG CA 1 54 ARG C 1 55 ASP N 134.14 175.74 168.19 169.97 168.30 0.46 12 0 "[ . 1 . 2]"
111 . 1 55 ASP N 1 55 ASP CA 1 55 ASP C 1 56 VAL N 118.73 142.93 140.43 139.56 138.61 0.31 14 0 "[ . 1 . 2]"
112 . 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 ILE N 128.36 169.76 152.19 135.88 160.27 . . 0 "[ . 1 . 2]"
113 . 1 59 LEU N 1 59 LEU CA 1 59 LEU C 1 60 ARG N 96.18 146.74 113.41 112.93 112.46 . . 0 "[ . 1 . 2]"
114 . 1 60 ARG N 1 60 ARG CA 1 60 ARG C 1 61 ILE N 98.89 150.49 114.62 104.74 128.58 . . 0 "[ . 1 . 2]"
115 . 1 65 ALA N 1 65 ALA CA 1 65 ALA C 1 66 ILE N 125.73 169.37 162.35 167.89 129.13 5.78 12 1 "[ . 1 + . 2]"
116 . 1 66 ILE N 1 66 ILE CA 1 66 ILE C 1 67 LEU N 107.12 164.88 152.10 156.81 155.96 3.87 4 0 "[ . 1 . 2]"
117 . 1 67 LEU N 1 67 LEU CA 1 67 LEU C 1 68 TRP N 109.50 136.86 117.25 111.00 125.84 . . 0 "[ . 1 . 2]"
118 . 1 68 TRP N 1 68 TRP CA 1 68 TRP C 1 69 ALA N 104.20 148.76 118.76 125.19 123.52 . . 0 "[ . 1 . 2]"
119 . 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 THR N 125.52 169.76 172.09 171.52 171.22 7.38 7 2 "[ . + 1 - . 2]"
120 . 1 72 ASP N 1 72 ASP CA 1 72 ASP C 1 73 HIS N -13.00 14.68 -6.93 -7.04 -7.38 . . 0 "[ . 1 . 2]"
121 . 1 73 HIS N 1 73 HIS CA 1 73 HIS C 1 74 LYS N 112.78 149.42 129.65 128.65 127.52 . . 0 "[ . 1 . 2]"
122 . 1 74 LYS N 1 74 LYS CA 1 74 LYS C 1 75 VAL N 115.14 144.22 128.91 123.20 137.40 . . 0 "[ . 1 . 2]"
123 . 1 77 THR N 1 77 THR CA 1 77 THR C 1 78 GLU N 138.67 -179.49 174.74 139.92 -179.34 0.15 15 0 "[ . 1 . 2]"
124 . 1 81 TRP N 1 81 TRP CA 1 81 TRP C 1 82 ARG N 116.20 151.80 128.95 121.88 138.32 . . 0 "[ . 1 . 2]"
125 . 1 82 ARG N 1 82 ARG CA 1 82 ARG C 1 83 ALA N 126.44 163.92 131.22 125.80 138.53 0.64 20 0 "[ . 1 . 2]"
126 . 1 83 ALA N 1 83 ALA CA 1 83 ALA C 1 84 ALA N 112.67 152.23 141.10 129.84 145.76 . . 0 "[ . 1 . 2]"
127 . 1 84 ALA N 1 84 ALA CA 1 84 ALA C 1 85 GLY N -44.44 -5.28 -31.03 -37.93 -38.24 7.28 4 2 "[ +. 1 . -]"
128 . 1 88 ARG N 1 88 ARG CA 1 88 ARG C 1 89 LYS N 135.49 171.17 148.95 147.99 147.53 . . 0 "[ . 1 . 2]"
129 . 1 91 ASP N 1 91 ASP CA 1 91 ASP C 1 92 ARG N 130.87 169.35 130.68 127.75 135.93 3.12 14 0 "[ . 1 . 2]"
130 . 1 92 ARG N 1 92 ARG CA 1 92 ARG C 1 93 VAL N 131.82 176.42 134.15 138.66 136.72 2.65 4 0 "[ . 1 . 2]"
131 . 1 93 VAL N 1 93 VAL CA 1 93 VAL C 1 94 ALA N 134.85 173.05 148.90 141.86 158.98 . . 0 "[ . 1 . 2]"
132 . 1 95 VAL N 1 95 VAL CA 1 95 VAL C 1 96 ARG N 136.33 171.49 155.19 155.47 135.14 5.05 20 1 "[ . 1 . +]"
133 . 1 96 ARG N 1 96 ARG CA 1 96 ARG C 1 97 ASP N 110.85 138.21 129.59 125.61 133.66 . . 0 "[ . 1 . 2]"
134 . 1 97 ASP N 1 97 ASP CA 1 97 ASP C 1 98 VAL N 102.92 139.48 123.44 123.77 123.67 . . 0 "[ . 1 . 2]"
135 . 1 98 VAL N 1 98 VAL CA 1 98 VAL C 1 99 GLU N -34.31 -17.39 -16.04 -15.81 -16.19 2.71 7 0 "[ . 1 . 2]"
136 . 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 THR N -56.37 -13.29 -58.56 -58.49 -58.59 4.01 9 0 "[ . 1 . 2]"
137 . 1 100 THR N 1 100 THR CA 1 100 THR C 1 101 GLY N -21.97 12.59 -12.82 -16.27 -10.47 . . 0 "[ . 1 . 2]"
138 . 1 102 GLU N 1 102 GLU CA 1 102 GLU C 1 103 LEU N 126.45 164.49 158.54 153.09 164.57 0.08 1 0 "[ . 1 . 2]"
139 . 1 103 LEU N 1 103 LEU CA 1 103 LEU C 1 104 ARG N 112.53 138.81 136.72 126.59 142.06 3.25 1 0 "[ . 1 . 2]"
140 . 1 104 ARG N 1 104 ARG CA 1 104 ARG C 1 105 TYR N 136.88 -175.28 167.37 164.32 158.76 . . 0 "[ . 1 . 2]"
141 . 1 105 TYR N 1 105 TYR CA 1 105 TYR C 1 106 SER N 122.21 155.33 144.14 140.60 139.14 . . 0 "[ . 1 . 2]"
142 . 1 106 SER N 1 106 SER CA 1 106 SER C 1 107 VAL N 136.44 -178.32 161.04 154.39 166.19 . . 0 "[ . 1 . 2]"
143 . 1 107 VAL N 1 107 VAL CA 1 107 VAL C 1 108 ILE N 118.09 150.45 154.46 150.37 157.21 6.76 13 5 "[** . - + * 2]"
144 . 1 110 GLU N 1 110 GLU CA 1 110 GLU C 1 111 VAL N 119.93 158.81 146.31 145.36 144.47 . . 0 "[ . 1 . 2]"
145 . 1 111 VAL N 1 111 VAL CA 1 111 VAL C 1 112 LEU N 105.32 133.44 133.73 133.77 133.41 2.94 4 0 "[ . 1 . 2]"
146 . 1 112 LEU N 1 112 LEU CA 1 112 LEU C 1 113 PRO N 96.59 160.03 138.54 122.38 151.24 . . 0 "[ . 1 . 2]"
147 . 1 113 PRO N 1 113 PRO CA 1 113 PRO C 1 114 THR N 120.26 172.14 161.29 154.63 166.66 . . 0 "[ . 1 . 2]"
148 . 1 114 THR N 1 114 THR CA 1 114 THR C 1 115 ARG N 111.90 157.86 155.21 152.95 151.56 2.58 16 0 "[ . 1 . 2]"
149 . 1 115 ARG N 1 115 ARG CA 1 115 ARG C 1 116 ARG N -51.90 9.98 -159.51 -140.10 -140.80 146.48 12 20 [***********+***-****]
150 . 1 117 ALA N 1 117 ALA CA 1 117 ALA C 1 118 ARG N 135.19 169.15 169.61 170.50 169.83 6.37 10 1 "[ . + . 2]"
151 . 1 119 THR N 1 119 THR CA 1 119 THR C 1 120 PHE N 142.67 168.91 143.90 140.46 154.14 2.21 20 0 "[ . 1 . 2]"
152 . 1 120 PHE N 1 120 PHE CA 1 120 PHE C 1 121 ASP N 122.13 171.65 174.50 168.02 -178.53 9.82 5 4 "[ + * 1- .* 2]"
153 . 1 121 ASP N 1 121 ASP CA 1 121 ASP C 1 122 LEU N 120.98 166.74 128.49 120.31 153.54 0.67 20 0 "[ . 1 . 2]"
154 . 1 122 LEU N 1 122 LEU CA 1 122 LEU C 1 123 GLU N 113.31 170.43 148.11 171.90 171.14 2.65 16 0 "[ . 1 . 2]"
155 . 1 123 GLU N 1 123 GLU CA 1 123 GLU C 1 124 VAL N 107.58 164.26 109.34 107.17 106.99 2.74 10 0 "[ . 1 . 2]"
156 . 1 124 VAL N 1 124 VAL CA 1 124 VAL C 1 125 GLU N 106.85 139.41 114.69 117.89 116.81 . . 0 "[ . 1 . 2]"
157 . 1 126 GLU N 1 126 GLU CA 1 126 GLU C 1 127 LEU N -61.48 -30.56 -43.11 -70.57 -25.64 9.09 10 6 "[ - *. *+ * . *2]"
158 . 1 130 LEU N 1 130 LEU CA 1 130 LEU C 1 131 VAL N 123.86 168.22 155.41 150.60 161.49 . . 0 "[ . 1 . 2]"
159 . 1 131 VAL N 1 131 VAL CA 1 131 VAL C 1 132 ALA N 102.31 137.75 125.25 127.25 126.78 . . 0 "[ . 1 . 2]"
160 . 1 132 ALA N 1 132 ALA CA 1 132 ALA C 1 133 GLU N 118.05 145.25 130.15 128.28 126.59 0.52 6 0 "[ . 1 . 2]"
161 . 1 135 VAL N 1 135 VAL CA 1 135 VAL C 1 136 VAL N 121.75 145.87 151.45 150.41 146.87 7.82 16 15 "[ ***** *-* * *+****]"
162 . 1 136 VAL N 1 136 VAL CA 1 136 VAL C 1 137 VAL N 93.10 129.66 113.59 109.60 117.75 . . 0 "[ . 1 . 2]"
163 . 1 137 VAL N 1 137 VAL CA 1 137 VAL C 1 138 HIS N 130.24 170.08 138.94 132.14 144.18 . . 0 "[ . 1 . 2]"
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