NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
629272 |
6byv   |
30388 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6byv
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 182
_TA_constraint_stats_list.Viol_count 1216
_TA_constraint_stats_list.Viol_total 130720.45
_TA_constraint_stats_list.Viol_max 29.08
_TA_constraint_stats_list.Viol_rms 3.85
_TA_constraint_stats_list.Viol_average_all_restraints 1.80
_TA_constraint_stats_list.Viol_average_violations_only 5.38
_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 LYS C 1 2 THR N 1 2 THR CA 1 2 THR C -137.40 -68.40 -129.31 -130.60 -131.51 0.11 13 0 "[ . 1 . 2]"
2 . 1 2 THR N 1 2 THR CA 1 2 THR C 1 3 CYS N 111.70 161.10 158.79 146.98 162.99 1.89 20 0 "[ . 1 . 2]"
3 . 1 2 THR C 1 3 CYS N 1 3 CYS CA 1 3 CYS C -94.40 -52.40 -66.52 -92.93 -50.45 1.95 20 0 "[ . 1 . 2]"
4 . 1 3 CYS N 1 3 CYS CA 1 3 CYS C 1 4 ALA N 127.10 167.10 164.35 144.30 169.81 2.71 20 0 "[ . 1 . 2]"
5 . 1 4 ALA C 1 5 GLU N 1 5 GLU CA 1 5 GLU C -82.20 -42.20 -40.30 -42.76 -35.88 6.32 15 1 "[ . 1 + 2]"
6 . 1 5 GLU N 1 5 GLU CA 1 5 GLU C 1 6 SER N -46.60 -6.60 -35.22 -43.80 -45.72 1.60 3 0 "[ . 1 . 2]"
7 . 1 5 GLU C 1 6 SER N 1 6 SER CA 1 6 SER C -115.50 -75.50 -89.63 -117.06 -73.17 2.33 15 0 "[ . 1 . 2]"
8 . 1 6 SER N 1 6 SER CA 1 6 SER C 1 7 ASP N -15.00 25.00 8.45 11.58 8.00 4.21 12 0 "[ . 1 . 2]"
9 . 1 7 ASP C 1 8 PHE N 1 8 PHE CA 1 8 PHE C -164.10 -66.50 -83.13 -77.50 -92.41 7.78 14 3 "[ *. 1- +. 2]"
10 . 1 8 PHE N 1 8 PHE CA 1 8 PHE C 1 9 VAL N 106.20 154.00 119.07 142.06 135.24 3.62 4 0 "[ . 1 . 2]"
11 . 1 8 PHE C 1 9 VAL N 1 9 VAL CA 1 9 VAL C -125.00 -63.00 -85.64 -110.53 -65.96 . . 0 "[ . 1 . 2]"
12 . 1 9 VAL N 1 9 VAL CA 1 9 VAL C 1 10 CYS N 103.60 143.60 131.33 144.71 143.89 1.11 2 0 "[ . 1 . 2]"
13 . 1 9 VAL C 1 10 CYS N 1 10 CYS CA 1 10 CYS C -105.90 -51.50 -93.24 -108.13 -58.43 2.23 3 0 "[ . 1 . 2]"
14 . 1 10 CYS N 1 10 CYS CA 1 10 CYS C 1 11 ASN N 136.40 -178.20 153.02 165.31 164.44 2.02 8 0 "[ . 1 . 2]"
15 . 1 10 CYS C 1 11 ASN N 1 11 ASN CA 1 11 ASN C -81.00 -41.00 -67.76 -72.85 -74.03 1.64 5 0 "[ . 1 . 2]"
16 . 1 11 ASN N 1 11 ASN CA 1 11 ASN C 1 12 ASN N -45.40 -5.40 -12.42 -25.39 -2.81 2.59 5 0 "[ . 1 . 2]"
17 . 1 11 ASN C 1 12 ASN N 1 12 ASN CA 1 12 ASN C -104.30 -64.30 -87.12 -87.16 -87.61 . . 0 "[ . 1 . 2]"
18 . 1 12 ASN N 1 12 ASN CA 1 12 ASN C 1 13 GLY N -19.00 21.00 18.97 20.00 19.89 1.26 17 0 "[ . 1 . 2]"
19 . 1 12 ASN C 1 13 GLY N 1 13 GLY CA 1 13 GLY C 73.40 113.40 77.00 78.60 77.71 1.55 12 0 "[ . 1 . 2]"
20 . 1 13 GLY N 1 13 GLY CA 1 13 GLY C 1 14 GLN N -28.00 12.00 -6.12 -12.57 -12.95 . . 0 "[ . 1 . 2]"
21 . 1 13 GLY C 1 14 GLN N 1 14 GLN CA 1 14 GLN C -91.00 -51.00 -81.71 -92.31 -49.72 1.31 4 0 "[ . 1 . 2]"
22 . 1 14 GLN N 1 14 GLN CA 1 14 GLN C 1 15 CYS N 122.20 162.20 149.58 142.27 160.29 . . 0 "[ . 1 . 2]"
23 . 1 14 GLN C 1 15 CYS N 1 15 CYS CA 1 15 CYS C -119.20 -55.00 -121.37 -125.06 -119.23 5.86 11 1 "[ . 1+ . 2]"
24 . 1 15 CYS N 1 15 CYS CA 1 15 CYS C 1 16 VAL N 108.00 171.60 135.87 129.32 128.21 . . 0 "[ . 1 . 2]"
25 . 1 15 CYS C 1 16 VAL N 1 16 VAL CA 1 16 VAL C -161.20 -103.20 -137.27 -126.08 -129.33 . . 0 "[ . 1 . 2]"
26 . 1 16 VAL N 1 16 VAL CA 1 16 VAL C 1 17 PRO N 114.50 -179.50 119.31 117.84 115.46 9.84 15 1 "[ . 1 + 2]"
27 . 1 16 VAL C 1 17 PRO N 1 17 PRO CA 1 17 PRO C -81.10 -41.10 -44.63 -44.62 -44.90 1.32 6 0 "[ . 1 . 2]"
28 . 1 17 PRO N 1 17 PRO CA 1 17 PRO C 1 18 SER N 123.50 163.50 151.89 137.07 162.55 . . 0 "[ . 1 . 2]"
29 . 1 17 PRO C 1 18 SER N 1 18 SER CA 1 18 SER C -78.00 -38.00 -45.08 -51.40 -39.94 . . 0 "[ . 1 . 2]"
30 . 1 18 SER N 1 18 SER CA 1 18 SER C 1 19 ARG N -52.60 -12.60 -10.69 -17.35 -7.36 5.24 14 1 "[ . 1 +. 2]"
31 . 1 18 SER C 1 19 ARG N 1 19 ARG CA 1 19 ARG C -90.70 -50.70 -85.74 -95.28 -63.98 4.58 19 0 "[ . 1 . 2]"
32 . 1 19 ARG N 1 19 ARG CA 1 19 ARG C 1 20 TRP N -37.20 2.80 4.19 -5.05 9.88 7.08 12 4 "[ *. 1 + -* 2]"
33 . 1 20 TRP C 1 21 LYS N 1 21 LYS CA 1 21 LYS C -90.30 -50.30 -43.23 -44.23 -44.64 9.73 6 20 [-****+**************]
34 . 1 21 LYS N 1 21 LYS CA 1 21 LYS C 1 22 CYS N 115.30 156.30 170.69 164.48 175.06 18.76 8 20 [*****-*+************]
35 . 1 21 LYS C 1 22 CYS N 1 22 CYS CA 1 22 CYS C -88.40 -48.40 -48.50 -44.88 -45.57 3.82 19 0 "[ . 1 . 2]"
36 . 1 22 CYS N 1 22 CYS CA 1 22 CYS C 1 23 ASP N 114.20 154.20 101.89 100.84 100.57 14.91 5 20 [****+****-**********]
37 . 1 24 GLY C 1 25 ASP N 1 25 ASP CA 1 25 ASP C -156.80 -54.80 -91.40 -90.24 -91.71 . . 0 "[ . 1 . 2]"
38 . 1 25 ASP N 1 25 ASP CA 1 25 ASP C 1 26 PRO N 59.50 135.10 115.88 105.27 135.57 0.47 8 0 "[ . 1 . 2]"
39 . 1 25 ASP C 1 26 PRO N 1 26 PRO CA 1 26 PRO C -87.80 -47.80 -68.78 -81.90 -61.15 . . 0 "[ . 1 . 2]"
40 . 1 26 PRO N 1 26 PRO CA 1 26 PRO C 1 27 ASP N -38.30 1.70 20.00 18.15 17.10 22.78 7 20 [******+*********-***]
41 . 1 26 PRO C 1 27 ASP N 1 27 ASP CA 1 27 ASP C -99.20 -59.20 -47.57 -51.11 -43.85 15.35 7 20 [******+**********-**]
42 . 1 27 ASP N 1 27 ASP CA 1 27 ASP C 1 28 CYS N -32.00 8.00 -30.44 -36.70 -18.42 4.70 8 0 "[ . 1 . 2]"
43 . 1 28 CYS C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -86.10 -46.10 -56.21 -77.81 -45.77 0.33 12 0 "[ . 1 . 2]"
44 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 ASP N -46.40 -6.40 -27.26 -15.67 -17.23 3.69 12 0 "[ . 1 . 2]"
45 . 1 29 GLU C 1 30 ASP N 1 30 ASP CA 1 30 ASP C -109.50 -69.50 -100.32 -110.66 -70.50 1.16 12 0 "[ . 1 . 2]"
46 . 1 30 ASP N 1 30 ASP CA 1 30 ASP C 1 31 GLY N -19.90 20.10 5.51 -18.01 17.86 . . 0 "[ . 1 . 2]"
47 . 1 33 ASP C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -131.50 -88.30 -115.66 -129.34 -107.80 . . 0 "[ . 1 . 2]"
48 . 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 SER N -31.30 71.70 4.51 12.98 9.91 . . 0 "[ . 1 . 2]"
49 . 1 34 GLU C 1 35 SER N 1 35 SER CA 1 35 SER C -88.20 -48.20 -88.62 -92.01 -82.06 3.81 3 0 "[ . 1 . 2]"
50 . 1 35 SER N 1 35 SER CA 1 35 SER C 1 36 PRO N 123.60 166.60 168.68 162.07 173.29 6.69 10 1 "[ . + . 2]"
51 . 1 35 SER C 1 36 PRO N 1 36 PRO CA 1 36 PRO C -75.70 -35.70 -42.41 -52.02 -33.90 1.80 10 0 "[ . 1 . 2]"
52 . 1 36 PRO N 1 36 PRO CA 1 36 PRO C 1 37 GLU N -56.10 -16.10 -24.30 -15.89 -15.94 0.21 2 0 "[ . 1 . 2]"
53 . 1 36 PRO C 1 37 GLU N 1 37 GLU CA 1 37 GLU C -83.80 -43.80 -67.32 -82.20 -46.19 . . 0 "[ . 1 . 2]"
54 . 1 37 GLU N 1 37 GLU CA 1 37 GLU C 1 38 GLN N -46.60 -6.60 -45.90 -47.19 -47.39 1.80 18 0 "[ . 1 . 2]"
55 . 1 37 GLU C 1 38 GLN N 1 38 GLN CA 1 38 GLN C -106.60 -52.80 -105.48 -102.66 -102.86 2.93 19 0 "[ . 1 . 2]"
56 . 1 38 GLN N 1 38 GLN CA 1 38 GLN C 1 39 CYS N -38.40 12.20 -43.21 -41.98 -42.25 6.67 19 9 "[ * . ** 1- * .** +*]"
57 . 1 38 GLN C 1 39 CYS N 1 39 CYS CA 1 39 CYS C -119.30 -74.50 -88.11 -102.74 -83.64 . . 0 "[ . 1 . 2]"
58 . 1 39 CYS N 1 39 CYS CA 1 39 CYS C 1 40 HIS N -12.70 27.30 34.44 30.17 37.24 9.94 9 16 "[* ***-* +1*** ******]"
59 . 1 42 ARG C 1 43 THR N 1 43 THR CA 1 43 THR C -114.20 -36.40 -91.14 -92.11 -94.75 . . 0 "[ . 1 . 2]"
60 . 1 43 THR N 1 43 THR CA 1 43 THR C 1 44 CYS N 114.60 169.80 154.72 154.49 153.28 0.08 19 0 "[ . 1 . 2]"
61 . 1 47 HIS C 1 48 GLU N 1 48 GLU CA 1 48 GLU C 178.00 -71.60 -168.05 176.71 -150.70 1.29 6 0 "[ . 1 . 2]"
62 . 1 48 GLU N 1 48 GLU CA 1 48 GLU C 1 49 ILE N 127.70 -178.10 143.90 147.17 140.91 . . 0 "[ . 1 . 2]"
63 . 1 48 GLU C 1 49 ILE N 1 49 ILE CA 1 49 ILE C -154.60 -112.20 -102.14 -98.07 -98.78 16.78 20 15 "[-** *****1* **.** *+]"
64 . 1 49 ILE N 1 49 ILE CA 1 49 ILE C 1 50 SER N 129.70 174.30 166.05 128.66 -178.90 6.80 14 2 "[ - . 1 +. 2]"
65 . 1 49 ILE C 1 50 SER N 1 50 SER CA 1 50 SER C -123.50 -50.10 -88.27 -108.64 -38.95 11.15 15 3 "[ -. 1 * + 2]"
66 . 1 50 SER N 1 50 SER CA 1 50 SER C 1 51 CYS N 112.30 166.10 128.97 130.47 129.77 1.29 8 0 "[ . 1 . 2]"
67 . 1 52 GLY C 1 53 ALA N 1 53 ALA CA 1 53 ALA C -84.50 -44.50 -77.08 -86.63 -71.48 2.13 8 0 "[ . 1 . 2]"
68 . 1 53 ALA N 1 53 ALA CA 1 53 ALA C 1 54 HIS N -43.30 -3.30 -13.79 1.78 -0.74 5.08 2 1 "[ + . 1 . 2]"
69 . 1 53 ALA C 1 54 HIS N 1 54 HIS CA 1 54 HIS C -118.80 -77.60 -90.41 -96.96 -98.90 . . 0 "[ . 1 . 2]"
70 . 1 54 HIS N 1 54 HIS CA 1 54 HIS C 1 55 SER N -15.70 32.10 -11.42 -18.48 0.50 2.78 2 0 "[ . 1 . 2]"
71 . 1 54 HIS C 1 55 SER N 1 55 SER CA 1 55 SER C -175.00 -36.40 -138.21 -149.24 -115.63 . . 0 "[ . 1 . 2]"
72 . 1 55 SER N 1 55 SER CA 1 55 SER C 1 56 THR N 132.70 172.70 -179.04 173.98 -176.62 10.68 5 18 "[****+** *1***-******]"
73 . 1 56 THR C 1 57 GLN N 1 57 GLN CA 1 57 GLN C -139.60 -54.60 -146.39 -153.32 -153.89 14.56 1 18 "[+** **********.****-]"
74 . 1 57 GLN N 1 57 GLN CA 1 57 GLN C 1 58 CYS N 111.40 151.40 104.96 99.00 108.77 12.40 15 14 "[** **** * *-*+ ** *]"
75 . 1 57 GLN C 1 58 CYS N 1 58 CYS CA 1 58 CYS C -142.80 -64.40 -119.18 -132.81 -105.22 . . 0 "[ . 1 . 2]"
76 . 1 58 CYS N 1 58 CYS CA 1 58 CYS C 1 59 ILE N 112.80 165.20 136.85 145.12 143.17 . . 0 "[ . 1 . 2]"
77 . 1 58 CYS C 1 59 ILE N 1 59 ILE CA 1 59 ILE C -150.70 -102.90 -138.86 -141.65 -143.92 3.37 10 0 "[ . 1 . 2]"
78 . 1 59 ILE N 1 59 ILE CA 1 59 ILE C 1 60 PRO N 113.70 173.90 155.68 120.16 173.09 . . 0 "[ . 1 . 2]"
79 . 1 59 ILE C 1 60 PRO N 1 60 PRO CA 1 60 PRO C -82.60 -42.60 -59.13 -62.24 -68.83 3.29 8 0 "[ . 1 . 2]"
80 . 1 60 PRO N 1 60 PRO CA 1 60 PRO C 1 61 VAL N 123.20 164.20 124.70 116.97 141.10 6.23 13 1 "[ . 1 + . 2]"
81 . 1 60 PRO C 1 61 VAL N 1 61 VAL CA 1 61 VAL C -81.10 -41.10 -47.27 -56.69 -38.02 3.08 17 0 "[ . 1 . 2]"
82 . 1 61 VAL N 1 61 VAL CA 1 61 VAL C 1 62 SER N -51.10 -11.10 -18.85 -26.27 -10.06 1.04 10 0 "[ . 1 . 2]"
83 . 1 61 VAL C 1 62 SER N 1 62 SER CA 1 62 SER C -89.40 -49.40 -59.44 -71.79 -47.86 1.54 15 0 "[ . 1 . 2]"
84 . 1 62 SER N 1 62 SER CA 1 62 SER C 1 63 TRP N -35.00 5.00 -8.22 -5.29 -7.61 0.34 10 0 "[ . 1 . 2]"
85 . 1 63 TRP C 1 64 ARG N 1 64 ARG CA 1 64 ARG C -139.40 -37.00 -89.06 -86.44 -93.62 . . 0 "[ . 1 . 2]"
86 . 1 64 ARG N 1 64 ARG CA 1 64 ARG C 1 65 CYS N 99.00 172.20 86.15 83.37 89.89 15.63 15 20 [*************-+*****]
87 . 1 64 ARG C 1 65 CYS N 1 65 CYS CA 1 65 CYS C -88.90 -48.90 -84.67 -78.11 -85.62 0.64 16 0 "[ . 1 . 2]"
88 . 1 65 CYS N 1 65 CYS CA 1 65 CYS C 1 66 ASP N -44.00 -4.00 -9.18 -22.52 -0.42 3.58 8 0 "[ . 1 . 2]"
89 . 1 65 CYS C 1 66 ASP N 1 66 ASP CA 1 66 ASP C -139.20 -65.80 -122.43 -111.19 -113.75 0.51 10 0 "[ . 1 . 2]"
90 . 1 66 ASP N 1 66 ASP CA 1 66 ASP C 1 67 GLY N -19.80 20.20 14.32 11.86 10.02 4.70 15 0 "[ . 1 . 2]"
91 . 1 66 ASP C 1 67 GLY N 1 67 GLY CA 1 67 GLY C 57.60 97.60 83.48 64.12 100.20 2.60 18 0 "[ . 1 . 2]"
92 . 1 67 GLY N 1 67 GLY CA 1 67 GLY C 1 68 GLU N -10.40 29.60 15.36 21.19 20.00 3.70 15 0 "[ . 1 . 2]"
93 . 1 67 GLY C 1 68 GLU N 1 68 GLU CA 1 68 GLU C -146.30 -53.90 -154.04 -156.46 -151.31 10.16 5 20 [****+**************-]
94 . 1 68 GLU N 1 68 GLU CA 1 68 GLU C 1 69 ASN N 114.00 179.40 157.81 159.60 157.16 . . 0 "[ . 1 . 2]"
95 . 1 68 GLU C 1 69 ASN N 1 69 ASN CA 1 69 ASN C -93.50 -53.50 -102.53 -104.77 -104.97 15.88 19 16 "[*** *****1*** -** +*]"
96 . 1 69 ASN N 1 69 ASN CA 1 69 ASN C 1 70 ASP N 86.30 153.10 122.30 132.59 129.24 8.17 14 3 "[ -. 1 +. * 2]"
97 . 1 70 ASP C 1 71 CYS N 1 71 CYS CA 1 71 CYS C -117.70 -50.90 -72.04 -57.95 -59.25 10.61 6 1 "[ .+ 1 . 2]"
98 . 1 71 CYS N 1 71 CYS CA 1 71 CYS C 1 72 ASP N -40.90 34.10 36.35 -14.24 44.21 10.11 4 8 "[ +. * 1 * *- ** *]"
99 . 1 71 CYS C 1 72 ASP N 1 72 ASP CA 1 72 ASP C -87.10 -43.30 -42.31 -65.35 -35.97 7.33 20 2 "[ . 1 . - +]"
100 . 1 72 ASP N 1 72 ASP CA 1 72 ASP C 1 73 SER N -49.20 -9.20 -49.43 -55.71 19.88 29.08 6 10 "[ ** *+* *1* * *- 2]"
101 . 1 74 GLY C 1 75 GLU N 1 75 GLU CA 1 75 GLU C -81.30 -41.30 -82.66 -78.64 -82.07 6.51 4 6 "[ +. 1 * *.- * *]"
102 . 1 75 GLU N 1 75 GLU CA 1 75 GLU C 1 76 ASP N -53.20 -13.20 -37.98 -37.52 -39.89 14.82 6 1 "[ .+ 1 . 2]"
103 . 1 75 GLU C 1 76 ASP N 1 76 ASP CA 1 76 ASP C -94.30 -54.30 -79.73 -98.49 -45.90 8.40 6 1 "[ .+ 1 . 2]"
104 . 1 76 ASP N 1 76 ASP CA 1 76 ASP C 1 77 GLU N -31.30 9.30 -21.57 -21.06 -30.60 9.51 3 5 "[ + - *1* .* 2]"
105 . 1 76 ASP C 1 77 GLU N 1 77 GLU CA 1 77 GLU C -129.50 -89.50 -119.34 -130.20 -133.66 11.86 3 9 "[* + ** *1* .* -*]"
106 . 1 77 GLU N 1 77 GLU CA 1 77 GLU C 1 78 GLU N -11.20 33.60 11.41 -20.67 35.84 9.47 6 1 "[ .+ 1 . 2]"
107 . 1 77 GLU C 1 78 GLU N 1 78 GLU CA 1 78 GLU C -97.00 -57.00 -54.79 -65.65 -49.44 7.56 12 3 "[ *. 1-+ . 2]"
108 . 1 78 GLU N 1 78 GLU CA 1 78 GLU C 1 79 ASN N 134.90 174.90 131.60 120.20 148.77 14.70 19 11 "[*** .*- 1* * .** +*]"
109 . 1 82 ASN C 1 83 ILE N 1 83 ILE CA 1 83 ILE C -107.80 -59.00 -110.96 -114.19 -116.23 8.43 1 4 "[+ - * *1 . 2]"
110 . 1 83 ILE N 1 83 ILE CA 1 83 ILE C 1 84 THR N 112.60 156.80 143.00 140.24 138.35 . . 0 "[ . 1 . 2]"
111 . 1 83 ILE C 1 84 THR N 1 84 THR CA 1 84 THR C -132.80 -61.20 -91.59 -82.66 -83.21 . . 0 "[ . 1 . 2]"
112 . 1 84 THR N 1 84 THR CA 1 84 THR C 1 85 CYS N 106.60 152.20 111.58 106.41 105.32 1.28 1 0 "[ . 1 . 2]"
113 . 1 84 THR C 1 85 CYS N 1 85 CYS CA 1 85 CYS C -106.70 -49.70 -101.53 -90.58 -94.51 2.23 4 0 "[ . 1 . 2]"
114 . 1 85 CYS N 1 85 CYS CA 1 85 CYS C 1 86 SER N 83.50 176.70 179.63 177.26 177.16 6.05 16 3 "[ *. 1 - .+ 2]"
115 . 1 86 SER C 1 87 PRO N 1 87 PRO CA 1 87 PRO C -78.00 -38.00 -50.91 -62.31 -41.50 . . 0 "[ . 1 . 2]"
116 . 1 87 PRO N 1 87 PRO CA 1 87 PRO C 1 88 ASP N -48.10 -8.10 -9.69 -10.24 -12.10 1.22 10 0 "[ . 1 . 2]"
117 . 1 87 PRO C 1 88 ASP N 1 88 ASP CA 1 88 ASP C -115.30 -75.30 -95.51 -110.14 -80.43 . . 0 "[ . 1 . 2]"
118 . 1 88 ASP N 1 88 ASP CA 1 88 ASP C 1 89 GLU N -14.50 33.90 7.23 13.37 10.56 0.73 5 0 "[ . 1 . 2]"
119 . 1 88 ASP C 1 89 GLU N 1 89 GLU CA 1 89 GLU C -144.40 -96.80 -116.23 -139.02 -97.66 . . 0 "[ . 1 . 2]"
120 . 1 89 GLU N 1 89 GLU CA 1 89 GLU C 1 90 PHE N 129.90 170.10 164.32 171.29 171.29 4.11 9 0 "[ . 1 . 2]"
121 . 1 89 GLU C 1 90 PHE N 1 90 PHE CA 1 90 PHE C -148.50 -88.90 -91.61 -87.70 -88.02 5.54 5 1 "[ + 1 . 2]"
122 . 1 90 PHE N 1 90 PHE CA 1 90 PHE C 1 91 THR N 101.90 162.10 135.27 158.22 130.54 3.74 8 0 "[ . 1 . 2]"
123 . 1 92 CYS C 1 93 SER N 1 93 SER CA 1 93 SER C -80.10 -40.10 -61.69 -50.39 -53.56 5.33 20 1 "[ . 1 . +]"
124 . 1 93 SER N 1 93 SER CA 1 93 SER C 1 94 SER N -46.70 -6.70 -16.00 -29.49 -0.53 6.17 20 1 "[ . 1 . +]"
125 . 1 93 SER C 1 94 SER N 1 94 SER CA 1 94 SER C -97.80 -57.80 -97.27 -95.04 -98.02 6.22 13 6 "[ . 1*-+ * * *]"
126 . 1 94 SER N 1 94 SER CA 1 94 SER C 1 95 GLY N -29.00 11.00 0.60 -29.25 18.04 7.04 16 2 "[ . -1 .+ 2]"
127 . 1 94 SER C 1 95 GLY N 1 95 GLY CA 1 95 GLY C 73.80 113.80 90.09 102.64 97.45 6.55 16 2 "[ . -1 .+ 2]"
128 . 1 95 GLY N 1 95 GLY CA 1 95 GLY C 1 96 ARG N -25.30 14.70 1.89 -17.60 -20.98 4.62 18 0 "[ . 1 . 2]"
129 . 1 95 GLY C 1 96 ARG N 1 96 ARG CA 1 96 ARG C -113.40 -38.60 -85.82 -114.17 -58.10 0.77 20 0 "[ . 1 . 2]"
130 . 1 96 ARG N 1 96 ARG CA 1 96 ARG C 1 97 CYS N 123.00 163.00 130.97 119.67 158.71 3.33 10 0 "[ . 1 . 2]"
131 . 1 96 ARG C 1 97 CYS N 1 97 CYS CA 1 97 CYS C -129.30 -55.50 -111.50 -118.21 -120.35 2.02 13 0 "[ . 1 . 2]"
132 . 1 97 CYS N 1 97 CYS CA 1 97 CYS C 1 98 ILE N 117.90 158.90 149.63 143.30 139.65 1.49 9 0 "[ . 1 . 2]"
133 . 1 97 CYS C 1 98 ILE N 1 98 ILE CA 1 98 ILE C -158.00 -118.00 -133.05 -148.82 -116.37 1.63 11 0 "[ . 1 . 2]"
134 . 1 98 ILE N 1 98 ILE CA 1 98 ILE C 1 99 SER N 138.20 178.20 172.22 145.26 -176.25 5.55 8 1 "[ . + 1 . 2]"
135 . 1 98 ILE C 1 99 SER N 1 99 SER CA 1 99 SER C -84.20 -44.20 -76.96 -62.43 -73.10 1.27 16 0 "[ . 1 . 2]"
136 . 1 99 SER N 1 99 SER CA 1 99 SER C 1 100 ARG N 118.90 161.50 155.16 156.00 153.14 3.83 20 0 "[ . 1 . 2]"
137 . 1 99 SER C 1 100 ARG N 1 100 ARG CA 1 100 ARG C -79.60 -39.60 -60.90 -65.06 -46.51 . . 0 "[ . 1 . 2]"
138 . 1 100 ARG N 1 100 ARG CA 1 100 ARG C 1 101 ASN N -49.50 -9.50 -8.66 -19.35 -6.30 3.20 17 0 "[ . 1 . 2]"
139 . 1 100 ARG C 1 101 ASN N 1 101 ASN CA 1 101 ASN C -91.10 -51.10 -75.30 -87.20 -64.07 . . 0 "[ . 1 . 2]"
140 . 1 101 ASN N 1 101 ASN CA 1 101 ASN C 1 102 PHE N -33.60 6.40 -7.32 -29.20 6.45 0.05 16 0 "[ . 1 . 2]"
141 . 1 101 ASN C 1 102 PHE N 1 102 PHE CA 1 102 PHE C -121.30 -81.30 -91.64 -82.33 -85.49 2.13 9 0 "[ . 1 . 2]"
142 . 1 102 PHE N 1 102 PHE CA 1 102 PHE C 1 103 VAL N -26.00 40.80 4.16 -21.02 21.32 . . 0 "[ . 1 . 2]"
143 . 1 102 PHE C 1 103 VAL N 1 103 VAL CA 1 103 VAL C -95.20 -53.40 -48.81 -49.62 -51.45 12.81 15 7 "[ . 1****+ - *]"
144 . 1 103 VAL N 1 103 VAL CA 1 103 VAL C 1 104 CYS N 110.70 150.70 146.21 139.39 138.97 8.15 18 4 "[ . 1** -. + 2]"
145 . 1 105 ASN C 1 106 GLY N 1 106 GLY CA 1 106 GLY C 65.50 105.50 95.32 92.72 77.62 1.84 11 0 "[ . 1 . 2]"
146 . 1 106 GLY N 1 106 GLY CA 1 106 GLY C 1 107 GLN N -19.60 20.40 -7.39 -20.64 5.61 1.04 3 0 "[ . 1 . 2]"
147 . 1 106 GLY C 1 107 GLN N 1 107 GLN CA 1 107 GLN C -158.40 -101.00 -114.05 -124.02 -129.27 3.26 9 0 "[ . 1 . 2]"
148 . 1 107 GLN N 1 107 GLN CA 1 107 GLN C 1 108 ASP N 118.50 167.10 134.25 140.77 132.51 0.97 11 0 "[ . 1 . 2]"
149 . 1 107 GLN C 1 108 ASP N 1 108 ASP CA 1 108 ASP C -93.60 -53.60 -61.23 -97.41 -47.69 5.91 5 1 "[ + 1 . 2]"
150 . 1 108 ASP N 1 108 ASP CA 1 108 ASP C 1 109 ASP N 94.40 152.60 149.88 159.66 159.32 9.35 17 7 "[** * * - . + *2]"
151 . 1 109 ASP C 1 110 CYS N 1 110 CYS CA 1 110 CYS C -109.40 -43.80 -69.45 -111.62 -41.99 2.22 17 0 "[ . 1 . 2]"
152 . 1 110 CYS N 1 110 CYS CA 1 110 CYS C 1 111 SER N -55.50 30.50 -29.69 -66.89 -70.51 25.70 3 11 "[**+*-*** * . * *2]"
153 . 1 110 CYS C 1 111 SER N 1 111 SER CA 1 111 SER C -87.80 -41.40 -61.85 -102.89 -105.64 18.70 1 11 "[+**-**** * . * *2]"
154 . 1 111 SER N 1 111 SER CA 1 111 SER C 1 112 ASP N -49.40 -4.60 -45.80 -65.20 -14.89 15.80 10 8 "[** * * + - * *2]"
155 . 1 113 GLY C 1 114 SER N 1 114 SER CA 1 114 SER C -80.70 -40.70 -61.40 -77.43 -49.14 . . 0 "[ . 1 . 2]"
156 . 1 114 SER N 1 114 SER CA 1 114 SER C 1 115 ASP N -51.60 -11.60 -15.53 -25.39 -25.87 13.15 14 9 "[ . *1-**+** * *]"
157 . 1 114 SER C 1 115 ASP N 1 115 ASP CA 1 115 ASP C -92.40 -52.40 -65.11 -81.01 -50.45 1.95 9 0 "[ . 1 . 2]"
158 . 1 115 ASP N 1 115 ASP CA 1 115 ASP C 1 116 GLU N -31.30 8.70 -24.16 -43.01 -8.34 11.71 18 6 "[ . 1 *-** + *]"
159 . 1 115 ASP C 1 116 GLU N 1 116 GLU CA 1 116 GLU C -125.00 -85.00 -128.80 -128.23 -128.99 8.16 14 7 "[ * ** 1 +* -* 2]"
160 . 1 116 GLU N 1 116 GLU CA 1 116 GLU C 1 117 LEU N -12.40 27.60 9.92 26.48 19.43 2.12 9 0 "[ . 1 . 2]"
161 . 1 116 GLU C 1 117 LEU N 1 117 LEU CA 1 117 LEU C -94.20 -52.40 -80.01 -102.45 -46.42 8.25 17 3 "[ * 1 .-+ 2]"
162 . 1 117 LEU N 1 117 LEU CA 1 117 LEU C 1 118 ASP N 120.20 162.40 108.44 103.50 115.19 16.70 15 20 [**************+-****]
163 . 1 119 CYS C 1 120 ALA N 1 120 ALA CA 1 120 ALA C -90.60 -50.60 -72.89 -74.58 -81.72 0.59 11 0 "[ . 1 . 2]"
164 . 1 120 ALA N 1 120 ALA CA 1 120 ALA C 1 121 PRO N 122.20 165.80 163.34 160.47 165.57 . . 0 "[ . 1 . 2]"
165 . 1 3 CYS C 1 4 ALA N 1 4 ALA CA 1 4 ALA C -110.10 -40.30 -70.05 -87.16 -40.73 . . 0 "[ . 1 . 2]"
166 . 1 4 ALA N 1 4 ALA CA 1 4 ALA C 1 5 GLU N 116.10 -167.50 146.86 138.18 153.34 . . 0 "[ . 1 . 2]"
167 . 1 6 SER C 1 7 ASP N 1 7 ASP CA 1 7 ASP C -113.60 -32.80 -67.91 -93.08 -32.56 0.24 8 0 "[ . 1 . 2]"
168 . 1 7 ASP N 1 7 ASP CA 1 7 ASP C 1 8 PHE N 110.20 174.80 151.42 134.12 171.62 . . 0 "[ . 1 . 2]"
169 . 1 43 THR C 1 44 CYS N 1 44 CYS CA 1 44 CYS C -164.50 -8.70 -65.54 -89.17 -43.09 . . 0 "[ . 1 . 2]"
170 . 1 44 CYS N 1 44 CYS CA 1 44 CYS C 1 45 ARG N 42.90 -137.10 154.77 127.80 -165.35 . . 0 "[ . 1 . 2]"
171 . 1 78 GLU C 1 79 ASN N 1 79 ASN CA 1 79 ASN C 25.70 85.70 40.55 25.48 56.77 0.22 15 0 "[ . 1 . 2]"
172 . 1 79 ASN N 1 79 ASN CA 1 79 ASN C 1 80 CYS N 11.30 71.30 51.91 21.62 69.48 . . 0 "[ . 1 . 2]"
173 . 1 85 CYS C 1 86 SER N 1 86 SER CA 1 86 SER C -98.40 -38.40 -87.66 -91.23 -93.44 . . 0 "[ . 1 . 2]"
174 . 1 86 SER N 1 86 SER CA 1 86 SER C 1 87 PRO N 113.90 -174.50 136.26 128.46 126.63 . . 0 "[ . 1 . 2]"
175 . 1 90 PHE C 1 91 THR N 1 91 THR CA 1 91 THR C -132.50 -53.50 -96.22 -133.65 -52.83 1.15 20 0 "[ . 1 . 2]"
176 . 1 91 THR N 1 91 THR CA 1 91 THR C 1 92 CYS N 94.00 154.00 136.96 132.96 129.77 . . 0 "[ . 1 . 2]"
177 . 1 91 THR C 1 92 CYS N 1 92 CYS CA 1 92 CYS C -108.50 -35.90 -94.18 -110.52 -74.56 2.02 9 0 "[ . 1 . 2]"
178 . 1 92 CYS N 1 92 CYS CA 1 92 CYS C 1 93 SER N 79.70 -137.70 165.74 146.72 -176.94 . . 0 "[ . 1 . 2]"
179 . 1 103 VAL C 1 104 CYS N 1 104 CYS CA 1 104 CYS C -101.80 -40.80 -34.70 -27.04 -29.36 20.25 6 13 "[*****+**** .-* *2]"
180 . 1 104 CYS N 1 104 CYS CA 1 104 CYS C 1 105 ASN N 111.50 -176.50 98.92 101.43 100.64 15.88 11 20 [*-********+*********]
181 . 1 111 SER C 1 112 ASP N 1 112 ASP CA 1 112 ASP C -129.10 -69.10 -116.09 -144.77 -67.35 15.67 2 9 "[*+ * -** .** *2]"
182 . 1 112 ASP N 1 112 ASP CA 1 112 ASP C 1 113 GLY N -25.60 34.40 -16.38 -36.46 31.10 10.86 2 5 "[ + * 1* . -*2]"
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