NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408203 |
1yr1   |
6395 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1yr1
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 200
_TA_constraint_stats_list.Viol_count 4399
_TA_constraint_stats_list.Viol_total 1831871.63
_TA_constraint_stats_list.Viol_max 89.73
_TA_constraint_stats_list.Viol_rms 13.45
_TA_constraint_stats_list.Viol_average_all_restraints 14.65
_TA_constraint_stats_list.Viol_average_violations_only 16.66
_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 GLU C 1 4 TRP N 1 4 TRP CA 1 4 TRP C -66.00 -174.00 -87.45 -131.03 -68.35 44.95 8 21 "[*******+ -** *****2*****]"
2 . 1 4 TRP N 1 4 TRP CA 1 4 TRP C 1 5 ARG N 168.00 116.00 152.35 148.57 158.05 19.43 11 25 [**********+***********-**]
3 . 1 4 TRP C 1 5 ARG N 1 5 ARG CA 1 5 ARG C -41.00 -149.00 -99.55 -100.44 -101.28 53.88 4 25 [***+******************-**]
4 . 1 5 ARG N 1 5 ARG CA 1 5 ARG C 1 6 ARG N 173.00 117.00 132.22 131.87 130.83 27.19 4 25 [***+***************-*****]
5 . 1 5 ARG C 1 6 ARG N 1 6 ARG CA 1 6 ARG C -50.00 -106.00 -72.13 -86.92 -68.08 26.78 14 25 [*****-*******+***********]
6 . 1 6 ARG N 1 6 ARG CA 1 6 ARG C 1 7 ILE N 172.00 84.00 126.98 127.65 127.51 43.88 21 25 [***-****************+****]
7 . 1 7 ILE C 1 8 ALA N 1 8 ALA CA 1 8 ALA C -104.20 178.60 -163.38 -163.66 -163.93 20.57 18 25 [*****************+****-**]
8 . 1 8 ALA N 1 8 ALA CA 1 8 ALA C 1 9 TYR N 176.10 139.30 176.77 176.37 177.06 . . 0 "[ . 1 . 2 .]"
9 . 1 8 ALA C 1 9 TYR N 1 9 TYR CA 1 9 TYR C -94.20 -175.00 -139.34 -139.45 -139.66 36.91 5 25 [****+*****************-**]
10 . 1 9 TYR N 1 9 TYR CA 1 9 TYR C 1 10 VAL N 172.50 126.70 173.46 173.59 173.46 . . 0 "[ . 1 . 2 .]"
11 . 1 9 TYR C 1 10 VAL N 1 10 VAL CA 1 10 VAL C -94.00 -155.00 -133.38 -134.25 -132.29 22.71 23 25 [******-***************+**]
12 . 1 10 VAL N 1 10 VAL CA 1 10 VAL C 1 11 TYR N 155.60 95.80 118.26 116.61 120.31 24.52 19 25 [*************-****+******]
13 . 1 10 VAL N 1 10 VAL CA 1 10 VAL CB 1 10 VAL CG1 -160.00 160.00 -170.92 -170.84 -171.01 13.22 10 25 [****-****+***************]
14 . 1 10 VAL C 1 11 TYR N 1 11 TYR CA 1 11 TYR C -81.00 -129.00 -80.38 -80.38 -80.39 . . 0 "[ . 1 . 2 .]"
15 . 1 11 TYR N 1 11 TYR CA 1 11 TYR C 1 12 ASP N 146.00 94.00 111.23 110.42 109.77 20.42 11 25 [**********+-*************]
16 . 1 11 TYR C 1 12 ASP N 1 12 ASP CA 1 12 ASP C -65.00 -169.00 -165.04 -169.34 -156.47 12.53 6 9 "[* *+ -** . **2 * .]"
17 . 1 12 ASP N 1 12 ASP CA 1 12 ASP C 1 13 ARG N 177.00 81.00 141.08 142.01 139.54 43.14 6 25 [*****+******************-]
18 . 1 12 ASP N 1 12 ASP CA 1 12 ASP CB 1 12 ASP CG -160.00 160.00 -171.28 -170.28 -171.40 18.28 6 23 "[*** *+******-*.**********]"
19 . 1 12 ASP C 1 13 ARG N 1 13 ARG CA 1 13 ARG C 61.00 41.00 58.99 58.39 58.22 3.05 1 0 "[ . 1 . 2 .]"
20 . 1 13 ARG N 1 13 ARG CA 1 13 ARG C 1 14 GLN N 57.00 33.00 41.61 39.40 44.60 11.60 6 25 [*****+-******************]
21 . 1 13 ARG C 1 14 GLN N 1 14 GLN CA 1 14 GLN C 78.20 54.20 54.27 53.86 55.08 0.88 9 0 "[ . 1 . 2 .]"
22 . 1 14 GLN N 1 14 GLN CA 1 14 GLN C 1 15 THR N 35.30 -4.30 29.05 26.87 31.77 8.43 8 20 "[ ***** + **** *-********.]"
23 . 1 14 GLN C 1 15 THR N 1 15 THR CA 1 15 THR C -34.30 -174.70 -147.67 -152.00 -142.08 32.62 6 25 [*****+******************-]
24 . 1 15 THR N 1 15 THR CA 1 15 THR C 1 16 PHE N -167.30 103.10 143.35 141.59 146.42 43.32 25 25 [*********************-**+]
25 . 1 15 THR C 1 16 PHE N 1 16 PHE CA 1 16 PHE C -83.80 -136.20 -92.71 -91.63 -91.93 12.17 16 25 [************-**+*********]
26 . 1 16 PHE N 1 16 PHE CA 1 16 PHE C 1 17 PHE N 162.10 91.70 110.00 109.03 110.92 19.22 16 25 [***********-***+*********]
27 . 1 16 PHE N 1 16 PHE CA 1 16 PHE CB 1 16 PHE CG -40.00 -80.00 -44.76 -47.59 -40.96 7.59 13 10 "[ ***.*-* 1 + . ** 2 * .]"
28 . 1 16 PHE C 1 17 PHE N 1 17 PHE CA 1 17 PHE C -66.00 -154.00 -81.15 -81.97 -82.72 18.05 6 25 [*****+********-**********]
29 . 1 17 PHE N 1 17 PHE CA 1 17 PHE C 1 18 PRO N 168.00 100.00 123.67 118.23 111.57 29.95 12 25 [-**********+*************]
30 . 1 17 PHE N 1 17 PHE CA 1 17 PHE CB 1 17 PHE CG -40.00 -80.00 -55.64 -56.49 -57.41 17.44 18 25 [*****************+***-***]
31 . 1 18 PRO N 1 18 PRO CA 1 18 PRO C 1 19 LEU N 166.60 102.60 124.38 121.09 127.51 24.91 23 25 [**-*******************+**]
32 . 1 18 PRO C 1 19 LEU N 1 19 LEU CA 1 19 LEU C -75.50 -158.90 -106.29 -103.87 -105.57 34.72 23 25 [*-********************+**]
33 . 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 LEU N 167.00 125.40 125.10 125.28 125.19 0.34 3 0 "[ . 1 . 2 .]"
34 . 1 19 LEU C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -57.20 -122.80 -84.28 -82.35 -82.98 29.17 23 25 [*****************-****+**]
35 . 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 GLU N -173.20 116.00 166.16 166.11 166.04 22.20 16 25 [***************+*-*******]
36 . 1 20 LEU N 1 20 LEU CA 1 20 LEU CB 1 20 LEU CG -40.00 -80.00 -49.01 -50.14 -47.66 10.14 2 25 [*+**********************-]
37 . 1 20 LEU C 1 21 GLU N 1 21 GLU CA 1 21 GLU C -55.50 -70.70 -55.80 -57.28 -54.94 1.78 18 0 "[ . 1 . 2 .]"
38 . 1 21 GLU N 1 21 GLU CA 1 21 GLU C 1 22 ASN N -4.20 -35.80 -30.47 -30.38 -30.45 5.92 16 22 "[*** ****** ****+******-*.]"
39 . 1 21 GLU N 1 21 GLU CA 1 21 GLU CB 1 21 GLU CG 80.00 40.00 47.93 46.44 51.11 11.11 23 25 [**********************+*-]
40 . 1 21 GLU C 1 22 ASN N 1 22 ASN CA 1 22 ASN C -72.20 -106.80 -90.86 -91.16 -91.29 17.09 19 25 [********-*********+******]
41 . 1 22 ASN N 1 22 ASN CA 1 22 ASN C 1 23 GLY N 20.60 -15.80 14.92 12.86 15.82 7.74 23 19 "[ * ** ** ** ******-**+**]"
42 . 1 22 ASN N 1 22 ASN CA 1 22 ASN CB 1 22 ASN CG 80.00 40.00 62.63 62.90 62.05 19.86 7 25 [******+*****************-]
43 . 1 24 ARG C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -51.90 -154.50 -82.33 -86.71 -78.15 34.81 22 25 [******************-**+***]
44 . 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 LEU N 165.10 102.10 120.14 112.55 132.27 30.17 6 25 [*****+**************-****]
45 . 1 26 LEU N 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG -40.00 -80.00 -57.99 -58.43 -70.77 18.43 19 24 "[*********-***** **+******]"
46 . 1 26 LEU C 1 27 LYS N 1 27 LYS CA 1 27 LYS C -47.00 -79.00 -71.30 -72.03 -72.33 10.00 13 25 [**-*********+************]
47 . 1 27 LYS N 1 27 LYS CA 1 27 LYS C 1 28 GLN N 3.00 -49.00 -27.10 -27.73 -28.16 24.92 12 25 [*******-***+*************]
48 . 1 27 LYS C 1 28 GLN N 1 28 GLN CA 1 28 GLN C -48.00 -128.20 -79.22 -77.26 -79.90 36.81 25 25 [*******-****************+]
49 . 1 28 GLN N 1 28 GLN CA 1 28 GLN C 1 29 GLU N 23.90 -42.10 -22.30 -21.17 -21.45 21.35 14 25 [*************+*******-***]
50 . 1 28 GLN N 1 28 GLN CA 1 28 GLN CB 1 28 GLN CG -40.00 -80.00 -78.66 -77.95 -78.58 3.35 11 0 "[ . 1 . 2 .]"
51 . 1 28 GLN C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -86.00 -142.00 -99.90 -103.89 -95.40 17.89 2 25 [*+*******************-***]
52 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 GLY N 39.00 -1.00 25.43 26.61 26.07 16.83 22 25 [***********-*********+***]
53 . 1 29 GLU N 1 29 GLU CA 1 29 GLU CB 1 29 GLU CG -40.00 -80.00 -51.96 -65.35 -44.25 18.89 18 24 "[ **************-*+*******]"
54 . 1 30 GLY C 1 31 THR N 1 31 THR CA 1 31 THR C -75.00 -151.00 -127.42 -130.86 -124.64 26.36 25 25 [*****-******************+]
55 . 1 31 THR N 1 31 THR CA 1 31 THR C 1 32 LYS N -171.00 113.00 156.85 155.71 155.54 33.72 24 25 [***********-***********+*]
56 . 1 31 THR N 1 31 THR CA 1 31 THR CB 1 31 THR OG1 -160.00 160.00 168.56 168.32 168.14 14.09 13 25 [************+**-*********]
57 . 1 32 LYS C 1 33 THR N 1 33 THR CA 1 33 THR C -60.40 -170.40 -145.75 -154.55 -136.66 33.74 6 25 [*****+*****-*************]
58 . 1 33 THR N 1 33 THR CA 1 33 THR C 1 34 ALA N 173.00 99.40 139.53 140.29 140.03 34.67 15 25 [************-*+**********]
59 . 1 33 THR C 1 34 ALA N 1 34 ALA CA 1 34 ALA C -43.00 -143.00 -67.75 -68.83 -69.75 33.36 13 25 [************+***********-]
60 . 1 34 ALA N 1 34 ALA CA 1 34 ALA C 1 35 PRO N 153.00 101.00 117.18 118.53 118.36 18.56 6 25 [*****+******************-]
61 . 1 36 SER N 1 36 SER CA 1 36 SER CB 1 36 SER OG -160.00 160.00 -178.35 -173.63 179.63 19.63 7 20 "[* *.*+****** ****-** ***]"
62 . 1 37 ASP N 1 37 ASP CA 1 37 ASP CB 1 37 ASP CG -40.00 -80.00 -81.42 -81.64 -81.25 . . 0 "[ . 1 . 2 .]"
63 . 1 37 ASP C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -65.00 -177.00 -142.19 -145.87 -138.51 38.49 25 25 [****************-*******+]
64 . 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 PRO N -167.00 45.00 161.71 159.25 164.96 33.75 12 25 [***********+*****-*******]
65 . 1 39 PRO N 1 39 PRO CA 1 39 PRO C 1 40 VAL N -166.60 98.80 173.38 172.72 174.36 20.68 9 25 [********+*************-**]
66 . 1 39 PRO C 1 40 VAL N 1 40 VAL CA 1 40 VAL C -80.60 -147.60 -129.63 -129.06 -129.28 18.86 9 25 [********+*************-**]
67 . 1 40 VAL N 1 40 VAL CA 1 40 VAL C 1 41 LEU N 168.00 99.60 154.35 154.44 154.25 14.91 6 25 [*****+*******-***********]
68 . 1 40 VAL N 1 40 VAL CA 1 40 VAL CB 1 40 VAL CG1 -160.00 160.00 171.82 170.86 173.12 13.12 18 25 [*****************+**-****]
69 . 1 40 VAL C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -80.00 -136.00 -113.38 -112.95 -113.04 23.58 25 25 [*************-**********+]
70 . 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 VAL N 166.00 98.00 97.82 97.51 98.58 0.58 12 0 "[ . 1 . 2 .]"
71 . 1 41 LEU C 1 42 VAL N 1 42 VAL CA 1 42 VAL C -56.20 -159.20 -82.81 -82.55 -82.66 27.68 3 25 [**+******************-***]
72 . 1 42 VAL N 1 42 VAL CA 1 42 VAL C 1 43 GLY N 146.10 109.30 134.65 134.84 134.67 13.58 9 25 [*-******+****************]
73 . 1 45 LYS C 1 46 ASP N 1 46 ASP CA 1 46 ASP C -17.60 175.40 -98.78 -131.27 -94.80 81.77 2 25 [*+********-**************]
74 . 1 46 ASP N 1 46 ASP CA 1 46 ASP C 1 47 GLY N -169.40 93.00 95.51 96.24 96.18 4.62 9 0 "[ . 1 . 2 .]"
75 . 1 46 ASP N 1 46 ASP CA 1 46 ASP CB 1 46 ASP CG -40.00 -80.00 -77.54 -78.10 -79.36 6.18 11 1 "[ . 1+ . 2 .]"
76 . 1 47 GLY C 1 48 ASP N 1 48 ASP CA 1 48 ASP C -50.70 -73.30 -63.28 -63.71 -62.90 10.40 1 25 [+**********-*************]
77 . 1 48 ASP N 1 48 ASP CA 1 48 ASP C 1 49 ALA N -26.00 -49.80 -40.41 -40.43 -40.46 10.07 11 25 [**********+**-***********]
78 . 1 48 ASP C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -53.80 -77.40 -71.65 -74.57 -70.22 7.18 14 23 "[********** **+****-2*****]"
79 . 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 ILE N -25.00 -51.80 -33.98 -34.82 -33.28 9.82 14 25 [*************+**-********]
80 . 1 49 ALA C 1 50 ILE N 1 50 ILE CA 1 50 ILE C -52.70 -72.30 -62.08 -62.13 -62.28 9.76 4 25 [***+***********-*********]
81 . 1 50 ILE N 1 50 ILE CA 1 50 ILE C 1 51 ALA N -39.00 -51.00 -51.94 -52.37 -51.63 . . 0 "[ . 1 . 2 .]"
82 . 1 50 ILE N 1 50 ILE CA 1 50 ILE CB 1 50 ILE CG1 -40.00 -80.00 -71.14 -73.07 -69.40 10.60 25 25 [******************-*****+]
83 . 1 50 ILE C 1 51 ALA N 1 51 ALA CA 1 51 ALA C -50.70 -73.50 -55.21 -54.83 -54.97 5.58 9 2 "[ . +1- . 2 .]"
84 . 1 51 ALA N 1 51 ALA CA 1 51 ALA C 1 52 GLU N -26.30 -51.30 -30.04 -31.76 -27.93 5.46 4 2 "[ +. - . 2 .]"
85 . 1 51 ALA C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -54.30 -78.10 -69.15 -71.08 -71.29 11.65 4 25 [***+****************-****]
86 . 1 52 GLU N 1 52 GLU CA 1 52 GLU C 1 53 MET N -33.80 -53.60 -51.08 -50.78 -51.00 3.59 9 0 "[ . 1 . 2 .]"
87 . 1 52 GLU C 1 53 MET N 1 53 MET CA 1 53 MET C -56.20 -82.40 -59.07 -60.00 -57.65 3.80 24 0 "[ . 1 . 2 .]"
88 . 1 53 MET N 1 53 MET CA 1 53 MET C 1 54 THR N -23.80 -51.60 -52.35 -52.83 -51.74 . . 0 "[ . 1 . 2 .]"
89 . 1 53 MET C 1 54 THR N 1 54 THR CA 1 54 THR C -52.50 -78.90 -57.96 -57.59 -57.63 7.56 9 21 "[********+*** *****2-***.]"
90 . 1 54 THR N 1 54 THR CA 1 54 THR C 1 55 GLY N -34.30 -53.70 -33.68 -33.65 -33.69 . . 0 "[ . 1 . 2 .]"
91 . 1 54 THR C 1 55 GLY N 1 55 GLY CA 1 55 GLY C -50.60 -76.60 -59.52 -59.39 -59.43 9.78 20 25 [********-**********+*****]
92 . 1 55 GLY N 1 55 GLY CA 1 55 GLY C 1 56 GLN N -23.80 -52.00 -42.32 -42.72 -42.89 11.71 15 25 [**************+*-********]
93 . 1 55 GLY C 1 56 GLN N 1 56 GLN CA 1 56 GLN C -48.70 -90.30 -65.09 -67.05 -62.10 18.35 16 25 [***************+-********]
94 . 1 56 GLN N 1 56 GLN CA 1 56 GLN C 1 57 LEU N -15.20 -58.80 -37.85 -37.39 -37.70 21.79 4 25 [***+************-********]
95 . 1 56 GLN C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -51.80 -78.60 -67.81 -71.79 -64.81 13.01 18 25 [*****************+******-]
96 . 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 ALA N -14.30 -55.30 -27.99 -27.62 -27.69 15.35 22 25 [******-**************+***]
97 . 1 57 LEU N 1 57 LEU CA 1 57 LEU CB 1 57 LEU CG -40.00 -80.00 -82.19 -82.58 -81.55 . . 0 "[ . 1 . 2 .]"
98 . 1 57 LEU C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -46.50 -81.10 -73.50 -75.26 -70.84 10.26 10 25 [******-**+***************]
99 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 GLU N -5.70 -58.50 -19.70 -22.36 -18.13 16.66 20 25 [*********-*********+*****]
100 . 1 59 GLU N 1 59 GLU CA 1 59 GLU CB 1 59 GLU CG 80.00 40.00 54.92 54.28 55.73 15.73 5 25 [****+*************-******]
101 . 1 59 GLU C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -46.00 -150.00 -71.06 -73.65 -68.57 27.65 25 25 [**********************-*+]
102 . 1 60 LEU N 1 60 LEU CA 1 60 LEU C 1 61 PRO N -171.00 33.00 156.91 155.28 157.81 33.72 2 25 [*+*************-*********]
103 . 1 61 PRO N 1 61 PRO CA 1 61 PRO C 1 62 ALA N 159.30 121.50 126.13 124.93 124.70 8.64 22 9 "[ . 1* * ****-+ *.]"
104 . 1 61 PRO C 1 62 ALA N 1 62 ALA CA 1 62 ALA C -51.00 -67.00 -52.55 -55.69 -50.48 4.69 11 0 "[ . 1 . 2 .]"
105 . 1 62 ALA N 1 62 ALA CA 1 62 ALA C 1 63 ALA N -16.00 -48.00 -36.72 -37.75 -38.42 15.53 5 25 [****+**************-*****]
106 . 1 62 ALA C 1 63 ALA N 1 63 ALA CA 1 63 ALA C -52.60 -74.40 -64.41 -67.58 -61.49 10.80 17 25 [****-***********+********]
107 . 1 63 ALA N 1 63 ALA CA 1 63 ALA C 1 64 VAL N -14.50 -57.70 -40.01 -41.17 -41.24 20.89 21 25 [************-*******+****]
108 . 1 63 ALA C 1 64 VAL N 1 64 VAL CA 1 64 VAL C -54.10 -77.30 -59.98 -59.60 -59.71 7.72 11 18 "[*** . * 1+* ***********-]"
109 . 1 64 VAL N 1 64 VAL CA 1 64 VAL C 1 65 LEU N -30.20 -59.80 -59.15 -60.24 -60.24 4.22 8 0 "[ . 1 . 2 .]"
110 . 1 64 VAL N 1 64 VAL CA 1 64 VAL CB 1 64 VAL CG1 -160.00 160.00 168.97 166.51 172.40 12.40 10 25 [*-*******+***************]
111 . 1 64 VAL C 1 65 LEU N 1 65 LEU CA 1 65 LEU C -53.00 -76.60 -63.31 -61.55 -61.70 9.80 11 25 [*****-****+**************]
112 . 1 65 LEU N 1 65 LEU CA 1 65 LEU C 1 66 GLY N -10.40 -60.80 -21.70 -26.52 -12.61 16.12 2 19 "[*+* *** -1** **** *** ***]"
113 . 1 65 LEU C 1 66 GLY N 1 66 GLY CA 1 66 GLY C -60.00 -96.00 -77.84 -74.19 -74.81 15.17 20 23 "[*** *** ***********+*-***]"
114 . 1 66 GLY N 1 66 GLY CA 1 66 GLY C 1 67 ALA N 27.00 -69.00 -21.12 -22.12 -22.48 47.09 12 25 [*******-***+*************]
115 . 1 66 GLY C 1 67 ALA N 1 67 ALA CA 1 67 ALA C -72.00 -120.00 -88.90 -82.36 -84.58 22.68 22 25 [*-*******************+***]
116 . 1 67 ALA N 1 67 ALA CA 1 67 ALA C 1 68 MET N -177.00 79.00 78.32 78.05 78.83 . . 0 "[ . 1 . 2 .]"
117 . 1 67 ALA C 1 68 MET N 1 68 MET CA 1 68 MET C -26.00 166.00 178.71 176.88 -176.97 17.03 8 25 [*-*****+*****************]
118 . 1 68 MET N 1 68 MET CA 1 68 MET C 1 69 SER N -131.00 49.00 147.10 153.33 141.46 89.73 3 25 [**+******************-***]
119 . 1 69 SER C 1 70 GLU N 1 70 GLU CA 1 70 GLU C -113.20 -167.40 -160.88 -167.88 -151.65 15.75 19 15 "[* ** *1** -*** +** **.]"
120 . 1 70 GLU N 1 70 GLU CA 1 70 GLU C 1 71 ILE N 171.10 147.30 153.10 151.55 151.22 9.52 10 17 "[ **.-** +******* ** * *]"
121 . 1 70 GLU C 1 71 ILE N 1 71 ILE CA 1 71 ILE C -85.80 -156.60 -104.59 -107.51 -101.66 21.71 15 25 [**************+****-*****]
122 . 1 71 ILE N 1 71 ILE CA 1 71 ILE C 1 72 HIS N 153.70 100.90 135.47 135.48 135.35 19.82 19 25 [****************-*+******]
123 . 1 71 ILE C 1 72 HIS N 1 72 HIS CA 1 72 HIS C -99.70 -157.10 -108.29 -109.12 -109.47 11.36 25 25 [*********-**************+]
124 . 1 72 HIS N 1 72 HIS CA 1 72 HIS C 1 73 TYR N 175.60 87.60 119.21 121.91 119.57 40.18 10 25 [*********+********-******]
125 . 1 72 HIS C 1 73 TYR N 1 73 TYR CA 1 73 TYR C -58.80 -100.60 -71.99 -80.12 -65.35 20.48 10 25 [*********+********-******]
126 . 1 73 TYR N 1 73 TYR CA 1 73 TYR C 1 74 LYS N 147.40 87.80 108.23 100.74 115.00 27.20 11 25 [**********+****-*********]
127 . 1 75 PRO C 1 76 THR N 1 76 THR CA 1 76 THR C -51.10 -164.70 -140.13 -140.17 -140.30 28.82 24 25 [********-**************+*]
128 . 1 76 THR N 1 76 THR CA 1 76 THR C 1 77 ARG N -176.00 151.20 164.59 161.21 176.18 16.08 9 25 [********+******-*********]
129 . 1 76 THR N 1 76 THR CA 1 76 THR CB 1 76 THR OG1 80.00 40.00 72.90 69.67 79.85 10.33 24 20 "[ ***.*-* **** * *******+*]"
130 . 1 76 THR C 1 77 ARG N 1 77 ARG CA 1 77 ARG C -44.00 -80.00 -55.41 -55.89 -57.22 17.60 16 25 [***************+*******-*]
131 . 1 77 ARG N 1 77 ARG CA 1 77 ARG C 1 78 GLU N 0.00 -60.00 -26.13 -27.86 -24.15 27.86 22 25 [********-************+***]
132 . 1 77 ARG C 1 78 GLU N 1 78 GLU CA 1 78 GLU C -40.90 -121.50 -103.98 -103.34 -103.90 21.60 6 25 [*****+-******************]
133 . 1 78 GLU N 1 78 GLU CA 1 78 GLU C 1 79 TYR N 13.00 -59.20 -16.85 -22.13 10.99 35.13 6 24 "[*****+ ********-*********]"
134 . 1 82 ARG N 1 82 ARG CA 1 82 ARG CB 1 82 ARG CG -160.00 160.00 -177.98 179.71 -173.03 19.82 10 25 [-********+***************]
135 . 1 82 ARG C 1 83 VAL N 1 83 VAL CA 1 83 VAL C -105.80 -164.60 -118.27 -116.59 -116.66 18.19 6 25 [*****+*********-*********]
136 . 1 83 VAL N 1 83 VAL CA 1 83 VAL C 1 84 ILE N 178.50 133.10 134.38 132.77 138.70 5.60 18 2 "[ . 1 - . + 2 .]"
137 . 1 83 VAL C 1 84 ILE N 1 84 ILE CA 1 84 ILE C -101.30 -144.10 -105.61 -109.12 -103.71 7.82 12 6 "[ . ** + . ** - .]"
138 . 1 84 ILE N 1 84 ILE CA 1 84 ILE C 1 85 VAL N 154.40 101.00 110.35 107.76 112.10 11.10 14 25 [*************+*-*********]
139 . 1 84 ILE N 1 84 ILE CA 1 84 ILE CB 1 84 ILE CG1 -40.00 -80.00 -46.94 -50.21 -45.53 10.21 23 25 [*********-************+**]
140 . 1 84 ILE C 1 85 VAL N 1 85 VAL CA 1 85 VAL C -84.80 -157.60 -86.33 -87.05 -87.58 4.86 24 0 "[ . 1 . 2 .]"
141 . 1 85 VAL N 1 85 VAL CA 1 85 VAL C 1 86 TYR N -177.40 91.60 153.67 150.27 159.18 32.33 16 25 [**************-+*********]
142 . 1 85 VAL C 1 86 TYR N 1 86 TYR CA 1 86 TYR C -74.00 -117.00 -111.55 -109.74 -110.36 8.25 2 16 "[*+ ***** * *.* ***- **]"
143 . 1 86 TYR N 1 86 TYR CA 1 86 TYR C 1 87 MET N 162.70 89.30 105.06 108.90 107.39 20.63 8 25 [*******+**-**************]
144 . 1 86 TYR N 1 86 TYR CA 1 86 TYR CB 1 86 TYR CG -40.00 -80.00 -79.25 -80.39 -75.35 4.65 10 0 "[ . 1 . 2 .]"
145 . 1 86 TYR C 1 87 MET N 1 87 MET CA 1 87 MET C -46.80 -140.80 -54.65 -54.48 -54.81 10.53 8 23 "[****. *+-****************]"
146 . 1 87 MET N 1 87 MET CA 1 87 MET C 1 88 ASN N 178.20 149.60 149.27 148.96 149.50 . . 0 "[ . 1 . 2 .]"
147 . 1 87 MET C 1 88 ASN N 1 88 ASN CA 1 88 ASN C -56.20 -67.00 -65.24 -61.40 -64.13 5.20 2 1 "[ + . 1 . 2 .]"
148 . 1 88 ASN N 1 88 ASN CA 1 88 ASN C 1 89 ASP N -8.30 -33.90 -21.94 -24.57 -19.78 12.33 22 25 [*********************+-**]
149 . 1 88 ASN C 1 89 ASP N 1 89 ASP CA 1 89 ASP C -73.00 -105.00 -78.17 -85.95 -75.03 12.95 23 10 "[ -*** * 1 * ** * + .]"
150 . 1 89 ASP N 1 89 ASP CA 1 89 ASP C 1 90 GLY N 15.00 -13.00 -10.91 -13.33 -13.40 10.66 20 3 "[ . * 1 . + - .]"
151 . 1 89 ASP N 1 89 ASP CA 1 89 ASP CB 1 89 ASP CG -40.00 -80.00 -80.80 -81.18 -80.65 . . 0 "[ . 1 . 2 .]"
152 . 1 89 ASP C 1 90 GLY N 1 90 GLY CA 1 90 GLY C 106.00 78.00 104.55 105.74 105.18 10.87 8 3 "[ . + 1 . - * .]"
153 . 1 90 GLY N 1 90 GLY CA 1 90 GLY C 1 91 TYR N 20.00 -16.00 15.93 -16.53 20.52 5.32 7 1 "[ . + 1 . 2 .]"
154 . 1 90 GLY C 1 91 TYR N 1 91 TYR CA 1 91 TYR C -54.00 -122.00 -101.58 -106.52 -109.04 21.35 7 25 [******+-*****************]
155 . 1 91 TYR N 1 91 TYR CA 1 91 TYR C 1 92 GLU N 177.00 97.00 168.84 172.49 168.79 23.36 25 12 "[* -** 1* *. ***** +]"
156 . 1 91 TYR C 1 92 GLU N 1 92 GLU CA 1 92 GLU C -86.20 -171.40 -122.48 -140.87 -106.53 42.44 13 25 [************+***********-]
157 . 1 92 GLU N 1 92 GLU CA 1 92 GLU C 1 93 VAL N 177.70 111.50 119.01 118.77 117.71 12.45 10 22 "[** -*****+****.******* **]"
158 . 1 92 GLU C 1 93 VAL N 1 93 VAL CA 1 93 VAL C -107.20 -158.00 -117.47 -125.76 -106.98 18.56 16 22 "[** *********-**+****** *.]"
159 . 1 93 VAL N 1 93 VAL CA 1 93 VAL C 1 94 SER N 161.90 108.50 159.33 159.15 158.80 4.43 23 0 "[ . 1 . 2 .]"
160 . 1 93 VAL N 1 93 VAL CA 1 93 VAL CB 1 93 VAL CG1 -160.00 160.00 -171.82 -176.52 -167.18 16.52 6 25 [*****+**********-********]
161 . 1 93 VAL C 1 94 SER N 1 94 SER CA 1 94 SER C -80.80 -121.40 -120.99 -120.14 -121.02 2.87 14 0 "[ . 1 . 2 .]"
162 . 1 94 SER N 1 94 SER CA 1 94 SER C 1 95 ALA N 149.00 107.20 147.38 142.78 149.44 6.22 23 2 "[ . 1- . 2 + .]"
163 . 1 94 SER C 1 95 ALA N 1 95 ALA CA 1 95 ALA C -105.80 -174.00 -162.23 -167.22 -158.18 15.82 25 25 [*****************-******+]
164 . 1 95 ALA N 1 95 ALA CA 1 95 ALA C 1 96 THR N -177.30 118.30 172.84 147.89 -177.14 32.15 12 7 "[ -. * **+ *. * 2 .]"
165 . 1 95 ALA C 1 96 THR N 1 96 THR CA 1 96 THR C -68.20 -131.00 -119.69 -129.95 -95.51 30.52 14 9 "[ *. * *** +. * 2 -*]"
166 . 1 96 THR N 1 96 THR CA 1 96 THR C 1 97 ILE N -170.80 131.60 150.86 153.67 152.95 23.46 2 25 [*+***************-*******]
167 . 1 96 THR C 1 97 ILE N 1 97 ILE CA 1 97 ILE C -47.60 -73.80 -64.22 -69.87 -57.97 12.59 23 21 "[* ***-** *** ******2**+**]"
168 . 1 97 ILE N 1 97 ILE CA 1 97 ILE C 1 98 ARG N -10.60 -59.80 -24.76 -23.89 -24.23 17.55 11 25 [**********+********-*****]
169 . 1 97 ILE N 1 97 ILE CA 1 97 ILE CB 1 97 ILE CG1 -40.00 -80.00 -55.79 -55.76 -56.03 17.41 20 25 [********-**********+*****]
170 . 1 97 ILE C 1 98 ARG N 1 98 ARG CA 1 98 ARG C -46.60 -96.80 -75.88 -82.25 -69.29 23.95 7 25 [****-*+******************]
171 . 1 98 ARG N 1 98 ARG CA 1 98 ARG C 1 99 GLN N -1.10 -41.90 -32.02 -36.58 -37.72 13.66 24 24 "[ **********************+-]"
172 . 1 98 ARG C 1 99 GLN N 1 99 GLN CA 1 99 GLN C -70.00 -134.00 -133.15 -134.56 -127.84 6.16 1 1 "[+ . 1 . 2 .]"
173 . 1 99 GLN N 1 99 GLN CA 1 99 GLN C 1 100 PHE N 35.00 -29.00 35.80 35.80 35.77 . . 0 "[ . 1 . 2 .]"
174 . 1 99 GLN C 1 100 PHE N 1 100 PHE CA 1 100 PHE C -49.00 -69.00 -56.86 -57.30 -57.68 9.87 5 25 [****+*********-**********]
175 . 1 100 PHE N 1 100 PHE CA 1 100 PHE C 1 101 ALA N -26.00 -58.00 -48.63 -51.82 -39.31 15.77 1 25 [+********-***************]
176 . 1 100 PHE C 1 101 ALA N 1 101 ALA CA 1 101 ALA C -50.90 -71.50 -61.33 -62.27 -63.87 10.09 24 24 "[-********************* +*]"
177 . 1 101 ALA N 1 101 ALA CA 1 101 ALA C 1 102 ASP N -30.30 -48.10 -45.94 -44.38 -46.27 6.80 8 7 "[ * .* +*1 . * 2 - *.]"
178 . 1 101 ALA C 1 102 ASP N 1 102 ASP CA 1 102 ASP C -53.80 -75.60 -63.82 -63.22 -63.41 10.79 17 25 [****************+*******-]
179 . 1 102 ASP N 1 102 ASP CA 1 102 ASP C 1 103 LYS N -30.40 -50.60 -40.56 -47.64 -32.81 9.77 16 20 "[* ***-* ******+* **** **]"
180 . 1 102 ASP C 1 103 LYS N 1 103 LYS CA 1 103 LYS C -52.10 -71.30 -55.96 -57.08 -57.86 9.57 18 7 "[* * 1 . + -*** .]"
181 . 1 103 LYS N 1 103 LYS CA 1 103 LYS C 1 104 LEU N -32.50 -53.30 -52.97 -53.04 -53.10 2.69 6 0 "[ . 1 . 2 .]"
182 . 1 103 LYS N 1 103 LYS CA 1 103 LYS CB 1 103 LYS CG -40.00 -80.00 -81.14 -81.45 -81.59 . . 0 "[ . 1 . 2 .]"
183 . 1 103 LYS C 1 104 LEU N 1 104 LEU CA 1 104 LEU C -55.00 -83.00 -79.87 -82.12 -82.99 7.04 9 6 "[ - . +1 .** *2 *.]"
184 . 1 104 LEU N 1 104 LEU CA 1 104 LEU C 1 105 SER N 5.00 -63.00 -21.68 -24.95 -16.56 29.95 9 25 [******-*+****************]
185 . 1 104 LEU N 1 104 LEU CA 1 104 LEU CB 1 104 LEU CG -40.00 -80.00 -72.19 -76.77 -68.25 11.75 21 22 "[***** ****-**** ****+* **]"
186 . 1 104 LEU C 1 105 SER N 1 105 SER CA 1 105 SER C -39.40 -94.20 -62.95 -64.92 -65.49 27.00 16 25 [***********-***+*********]
187 . 1 105 SER N 1 105 SER CA 1 105 SER C 1 106 HIS N 9.40 -55.60 -34.87 -30.85 -32.55 27.86 8 25 [*******+*************-***]
188 . 1 108 PRO N 1 108 PRO CA 1 108 PRO C 1 109 ALA N -4.70 -56.70 -27.25 -35.02 -20.08 25.94 1 25 [+*-**********************]
189 . 1 108 PRO C 1 109 ALA N 1 109 ALA CA 1 109 ALA C -42.30 -92.70 -73.04 -68.06 -69.47 24.97 24 25 [*********************-*+*]
190 . 1 109 ALA N 1 109 ALA CA 1 109 ALA C 1 110 ILE N -0.10 -68.70 -45.34 -45.19 -45.34 27.93 5 25 [****+******-*************]
191 . 1 109 ALA C 1 110 ILE N 1 110 ILE CA 1 110 ILE C -40.90 -107.70 -66.77 -72.28 -62.85 31.38 11 25 [**********+*********-****]
192 . 1 110 ILE N 1 110 ILE CA 1 110 ILE C 1 111 ALA N 32.90 -90.50 -55.26 -55.32 -56.28 38.51 12 25 [***********+*********-***]
193 . 1 110 ILE C 1 111 ALA N 1 111 ALA CA 1 111 ALA C -34.00 -118.00 -55.52 -54.65 -55.01 23.32 14 25 [********-****+***********]
194 . 1 111 ALA N 1 111 ALA CA 1 111 ALA C 1 112 ALA N 42.00 -82.00 -29.23 -29.84 -28.30 53.70 23 25 [***********-**********+**]
195 . 1 111 ALA C 1 112 ALA N 1 112 ALA CA 1 112 ALA C -39.00 -111.00 -51.64 -51.81 -51.98 13.81 15 25 [*******-******+**********]
196 . 1 112 ALA N 1 112 ALA CA 1 112 ALA C 1 113 ALA N 38.30 -77.10 -28.58 -28.85 -28.93 49.41 24 25 [**********************-+*]
197 . 1 112 ALA C 1 113 ALA N 1 113 ALA CA 1 113 ALA C -38.00 -142.00 -51.79 -52.19 -52.36 14.77 25 25 [**********-*************+]
198 . 1 113 ALA N 1 113 ALA CA 1 113 ALA C 1 114 LEU N 42.00 -66.00 -27.60 -28.41 -28.48 40.78 25 25 [***********-************+]
199 . 1 113 ALA C 1 114 LEU N 1 114 LEU CA 1 114 LEU C -28.00 -136.00 -77.81 -80.91 -73.90 52.91 25 25 [********************-***+]
200 . 1 114 LEU N 1 114 LEU CA 1 114 LEU C 1 115 ASP N 37.00 -75.00 -32.43 -34.81 -30.08 44.92 25 25 [********************-***+]
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