NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
493252 |
2rn5   |
11016 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2rn5
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 255
_TA_constraint_stats_list.Viol_count 1504
_TA_constraint_stats_list.Viol_total 2780885.75
_TA_constraint_stats_list.Viol_max 164.28
_TA_constraint_stats_list.Viol_rms 18.57
_TA_constraint_stats_list.Viol_average_all_restraints 4.36
_TA_constraint_stats_list.Viol_average_violations_only 36.98
_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 GLY C 1 2 ILE N 1 2 ILE CA 1 2 ILE C -155.00 -45.00 -79.98 -54.93 -56.16 48.64 5 8 "[ + * * . 2 . - 3* * . 4 * * 5]"
2 . 1 1 GLY C 1 2 ILE N 1 2 ILE CA 1 2 ILE C -85.00 -145.00 -79.98 -54.93 -56.16 24.14 24 6 "[ .* 1 . *2 *+. 3 . 4 * -. 5]"
3 . 1 2 ILE N 1 2 ILE CA 1 2 ILE CB 1 2 ILE CG1 165.00 -35.00 -172.68 55.09 -149.67 99.50 18 3 "[ . 1 . + 2 - . 3 . 4 * . 5]"
4 . 1 2 ILE N 1 2 ILE CA 1 2 ILE CB 1 2 ILE CG1 -75.00 -155.00 -172.68 55.09 -149.67 5.33 42 1 "[ . 1 . 2 . 3 . 4 + . 5]"
5 . 1 2 ILE CA 1 2 ILE CB 1 2 ILE CG1 1 2 ILE CD1 45.00 -45.00 134.23 168.05 166.08 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
6 . 1 2 ILE CA 1 2 ILE CB 1 2 ILE CG1 1 2 ILE CD1 -85.00 -165.00 134.23 168.05 166.08 7.60 22 1 "[ . 1 . 2 + . 3 . 4 . 5]"
7 . 1 2 ILE N 1 2 ILE CA 1 2 ILE C 1 3 VAL N 65.00 5.00 -34.18 -53.94 -10.33 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
8 . 1 2 ILE N 1 2 ILE CA 1 2 ILE C 1 3 VAL N -75.00 75.00 -34.18 -53.94 -10.33 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
9 . 1 2 ILE C 1 3 VAL N 1 3 VAL CA 1 3 VAL C -155.00 -65.00 -62.98 -70.11 -52.14 12.86 1 14 "[+ . 1* . * 2 * *. * 3 * *** 4 * * *-5]"
10 . 1 2 ILE C 1 3 VAL N 1 3 VAL CA 1 3 VAL C -105.00 -135.00 -62.98 -70.11 -52.14 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
11 . 1 3 VAL N 1 3 VAL CA 1 3 VAL CB 1 3 VAL CG1 45.00 -155.00 125.61 58.55 -160.27 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
12 . 1 3 VAL N 1 3 VAL CA 1 3 VAL CB 1 3 VAL CG1 165.00 85.00 125.61 58.55 -160.27 2.65 1 0 "[ . 1 . 2 . 3 . 4 . 5]"
13 . 1 3 VAL N 1 3 VAL CA 1 3 VAL C 1 4 GLU N -85.00 165.00 -35.68 -24.72 -26.91 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
14 . 1 3 VAL C 1 4 GLU N 1 4 GLU CA 1 4 GLU C 45.00 -45.00 -71.86 -89.96 -53.21 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
15 . 1 3 VAL C 1 4 GLU N 1 4 GLU CA 1 4 GLU C 175.00 75.00 -71.86 -89.96 -53.21 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
16 . 1 4 GLU N 1 4 GLU CA 1 4 GLU CB 1 4 GLU CG 25.00 -25.00 -27.37 -61.55 -66.03 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
17 . 1 4 GLU N 1 4 GLU CA 1 4 GLU CB 1 4 GLU CG 155.00 95.00 -27.37 -61.55 -66.03 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
18 . 1 4 GLU CA 1 4 GLU CB 1 4 GLU CG 1 4 GLU CD 15.00 -15.00 -166.78 72.69 -63.78 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
19 . 1 4 GLU N 1 4 GLU CA 1 4 GLU C 1 5 GLN N 5.00 -165.00 -18.99 -3.69 -5.08 53.15 4 47 "[* *+****************-********3***************** **]"
20 . 1 4 GLU C 1 5 GLN N 1 5 GLN CA 1 5 GLN C 55.00 -45.00 -90.54 -124.46 -61.18 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
21 . 1 4 GLU C 1 5 GLN N 1 5 GLN CA 1 5 GLN C 175.00 65.00 -90.54 -124.46 -61.18 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
22 . 1 5 GLN N 1 5 GLN CA 1 5 GLN CB 1 5 GLN CG 75.00 -75.00 -172.73 170.19 -57.89 17.11 45 3 "[ . 1 * . 2 . 3 . 4 -+ 5]"
23 . 1 5 GLN N 1 5 GLN CA 1 5 GLN CB 1 5 GLN CG 155.00 85.00 -172.73 170.19 -57.89 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
24 . 1 5 GLN CA 1 5 GLN CB 1 5 GLN CG 1 5 GLN CD 25.00 -25.00 147.50 58.33 -58.66 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
25 . 1 5 GLN N 1 5 GLN CA 1 5 GLN C 1 6 CYS N -85.00 -165.00 -52.05 -61.18 -62.98 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
26 . 1 5 GLN C 1 6 CYS N 1 6 CYS CA 1 6 CYS C -175.00 -65.00 -70.57 -100.60 -55.48 9.52 22 7 "[* . 1* . ** 2 + . 3 . 4 * . - 5]"
27 . 1 5 GLN C 1 6 CYS N 1 6 CYS CA 1 6 CYS C -105.00 -135.00 -70.57 -100.60 -55.48 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
28 . 1 6 CYS N 1 6 CYS CA 1 6 CYS CB 1 6 CYS SG 165.00 -85.00 -73.27 -92.21 -54.99 30.01 40 42 "[*- ** **************** *.****3 ** *****+ *********]"
29 . 1 6 CYS N 1 6 CYS CA 1 6 CYS C 1 7 CYS N -85.00 5.00 -27.20 -31.52 -32.10 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
30 . 1 6 CYS C 1 7 CYS N 1 7 CYS CA 1 7 CYS C 45.00 -75.00 -85.88 -104.66 -69.93 5.07 49 1 "[ . 1 . 2 . 3 . 4 . +5]"
31 . 1 6 CYS C 1 7 CYS N 1 7 CYS CA 1 7 CYS C -165.00 75.00 -85.88 -104.66 -69.93 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
32 . 1 7 CYS N 1 7 CYS CA 1 7 CYS CB 1 7 CYS SG 25.00 -25.00 -145.25 -176.26 -60.76 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
33 . 1 7 CYS N 1 7 CYS CA 1 7 CYS CB 1 7 CYS SG 155.00 85.00 -145.25 -176.26 -60.76 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
34 . 1 7 CYS N 1 7 CYS CA 1 7 CYS C 1 8 THR N -85.00 35.00 -41.41 -64.81 -18.25 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
35 . 1 7 CYS C 1 8 THR N 1 8 THR CA 1 8 THR C -165.00 -45.00 -84.40 -90.47 -95.10 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
36 . 1 8 THR N 1 8 THR CA 1 8 THR CB 1 8 THR OG1 -75.00 15.00 0.36 46.82 -48.20 87.69 41 27 "[****- * ** ** * *** . ** * ** ***+** . ** 5]"
37 . 1 8 THR N 1 8 THR CA 1 8 THR C 1 9 SER N -85.00 5.00 -33.99 -33.20 -33.94 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
38 . 1 8 THR C 1 9 SER N 1 9 SER CA 1 9 SER C 45.00 -45.00 -129.26 -151.20 -89.89 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
39 . 1 8 THR C 1 9 SER N 1 9 SER CA 1 9 SER C 175.00 75.00 -129.26 -151.20 -89.89 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
40 . 1 9 SER N 1 9 SER CA 1 9 SER CB 1 9 SER OG 165.00 105.00 -132.93 65.92 -54.71 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
41 . 1 9 SER N 1 9 SER CA 1 9 SER C 1 10 ILE N 125.00 -155.00 -176.13 -161.32 -163.16 2.13 7 0 "[ . 1 . 2 . 3 . 4 . 5]"
42 . 1 9 SER C 1 10 ILE N 1 10 ILE CA 1 10 ILE C -155.00 -65.00 -84.23 -110.01 -58.93 6.07 46 1 "[ . 1 . 2 . 3 . 4 .+ 5]"
43 . 1 10 ILE N 1 10 ILE CA 1 10 ILE CB 1 10 ILE CG1 165.00 -35.00 -77.51 -163.12 -43.09 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
44 . 1 10 ILE N 1 10 ILE CA 1 10 ILE CB 1 10 ILE CG1 -75.00 -155.00 -77.51 -163.12 -43.09 2.73 38 0 "[ . 1 . 2 . 3 . 4 . 5]"
45 . 1 10 ILE CA 1 10 ILE CB 1 10 ILE CG1 1 10 ILE CD1 45.00 -45.00 -172.33 165.88 -67.01 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
46 . 1 10 ILE CA 1 10 ILE CB 1 10 ILE CG1 1 10 ILE CD1 -85.00 -165.00 -172.33 165.88 -67.01 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
47 . 1 10 ILE N 1 10 ILE CA 1 10 ILE C 1 11 CYS N 15.00 165.00 137.15 150.11 147.73 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
48 . 1 10 ILE C 1 11 CYS N 1 11 CYS CA 1 11 CYS C 45.00 -45.00 -126.74 -143.42 -83.58 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
49 . 1 10 ILE C 1 11 CYS N 1 11 CYS CA 1 11 CYS C 175.00 75.00 -126.74 -143.42 -83.58 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
50 . 1 11 CYS N 1 11 CYS CA 1 11 CYS CB 1 11 CYS SG 25.00 -25.00 72.78 75.22 74.84 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
51 . 1 11 CYS N 1 11 CYS CA 1 11 CYS CB 1 11 CYS SG -125.00 75.00 72.78 75.22 74.84 5.82 25 2 "[ . 1 . 2 + 3 . 4 - . 5]"
52 . 1 11 CYS N 1 11 CYS CA 1 11 CYS C 1 12 SER N 155.00 -165.00 165.63 -164.02 -176.11 7.04 50 2 "[ -. 1 . 2 . 3 . 4 . +]"
53 . 1 11 CYS C 1 12 SER N 1 12 SER CA 1 12 SER C 45.00 -45.00 -116.99 -163.34 -79.97 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
54 . 1 11 CYS C 1 12 SER N 1 12 SER CA 1 12 SER C 175.00 75.00 -116.99 -163.34 -79.97 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
55 . 1 12 SER N 1 12 SER CA 1 12 SER C 1 13 LEU N 95.00 -165.00 160.23 149.17 173.09 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
56 . 1 12 SER C 1 13 LEU N 1 13 LEU CA 1 13 LEU C 175.00 -45.00 -60.53 -68.04 -56.27 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
57 . 1 12 SER C 1 13 LEU N 1 13 LEU CA 1 13 LEU C -65.00 -175.00 -60.53 -68.04 -56.27 3.04 18 0 "[ . 1 . 2 . 3 . 4 . 5]"
58 . 1 13 LEU N 1 13 LEU CA 1 13 LEU CB 1 13 LEU CG 165.00 -35.00 -61.51 -88.48 -49.77 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
59 . 1 13 LEU CA 1 13 LEU CB 1 13 LEU CG 1 13 LEU CD1 35.00 -35.00 168.46 173.71 77.32 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
60 . 1 13 LEU CA 1 13 LEU CB 1 13 LEU CG 1 13 LEU CD1 -95.00 -155.00 168.46 173.71 77.32 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
61 . 1 13 LEU N 1 13 LEU CA 1 13 LEU C 1 14 TYR N -85.00 -15.00 -29.98 -34.48 -37.13 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
62 . 1 13 LEU C 1 14 TYR N 1 14 TYR CA 1 14 TYR C -75.00 -55.00 -62.77 -67.02 -59.31 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
63 . 1 14 TYR N 1 14 TYR CA 1 14 TYR CB 1 14 TYR CG -175.00 -125.00 -179.08 -178.05 -178.34 9.78 45 17 "[ * . * *1 .** 2 **. * 3-* . ** * * +* *]"
64 . 1 14 TYR CA 1 14 TYR CB 1 14 TYR CG 1 14 TYR CD1 35.00 -25.00 76.39 85.76 81.42 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
65 . 1 14 TYR CA 1 14 TYR CB 1 14 TYR CG 1 14 TYR CD1 -145.00 155.00 76.39 85.76 81.42 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
66 . 1 14 TYR N 1 14 TYR CA 1 14 TYR C 1 15 GLN N -75.00 -35.00 -32.74 -38.87 -24.25 10.75 33 9 "[* .- * * . 2 .** 3 + . *4 * . 5]"
67 . 1 14 TYR C 1 15 GLN N 1 15 GLN CA 1 15 GLN C -95.00 -55.00 -77.28 -85.10 -86.80 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
68 . 1 15 GLN N 1 15 GLN CA 1 15 GLN CB 1 15 GLN CG -135.00 -95.00 -64.98 -60.79 -61.31 45.97 4 50 [***+*********************************************-]
69 . 1 15 GLN CA 1 15 GLN CB 1 15 GLN CG 1 15 GLN CD -155.00 -75.00 175.29 174.76 173.21 48.52 34 50 [*************-*******************+****************]
70 . 1 15 GLN N 1 15 GLN CA 1 15 GLN C 1 16 LEU N -85.00 5.00 -34.23 -44.56 -23.18 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
71 . 1 15 GLN C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -165.00 -45.00 -63.71 -62.11 -62.69 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
72 . 1 15 GLN C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -85.00 -155.00 -63.71 -62.11 -62.69 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
73 . 1 16 LEU N 1 16 LEU CA 1 16 LEU CB 1 16 LEU CG 155.00 -95.00 -61.66 -60.90 -61.39 42.19 28 50 [**********************-****+**********************]
74 . 1 16 LEU CA 1 16 LEU CB 1 16 LEU CG 1 16 LEU CD1 35.00 -35.00 -175.71 -165.05 -169.17 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
75 . 1 16 LEU CA 1 16 LEU CB 1 16 LEU CG 1 16 LEU CD1 -85.00 -155.00 -175.71 -165.05 -169.17 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
76 . 1 16 LEU N 1 16 LEU CA 1 16 LEU C 1 17 GLU N 175.00 -5.00 -44.94 -53.76 -33.33 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
77 . 1 16 LEU N 1 16 LEU CA 1 16 LEU C 1 17 GLU N -85.00 -155.00 -44.94 -53.76 -33.33 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
78 . 1 16 LEU C 1 17 GLU N 1 17 GLU CA 1 17 GLU C 45.00 -45.00 -60.26 -72.12 -50.93 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
79 . 1 16 LEU C 1 17 GLU N 1 17 GLU CA 1 17 GLU C 175.00 75.00 -60.26 -72.12 -50.93 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
80 . 1 17 GLU N 1 17 GLU CA 1 17 GLU CB 1 17 GLU CG 25.00 -25.00 -80.72 -150.20 -68.20 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
81 . 1 17 GLU N 1 17 GLU CA 1 17 GLU CB 1 17 GLU CG 155.00 95.00 -80.72 -150.20 -68.20 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
82 . 1 17 GLU CA 1 17 GLU CB 1 17 GLU CG 1 17 GLU CD 15.00 -15.00 -155.25 -179.24 -68.94 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
83 . 1 17 GLU N 1 17 GLU CA 1 17 GLU C 1 18 ASN N -85.00 115.00 -30.42 -29.50 -30.34 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
84 . 1 17 GLU C 1 18 ASN N 1 18 ASN CA 1 18 ASN C -85.00 -45.00 -63.71 -81.19 -52.88 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
85 . 1 18 ASN N 1 18 ASN CA 1 18 ASN CB 1 18 ASN CG 145.00 -115.00 -174.28 -170.02 -170.97 22.36 16 1 "[ . 1 .+ 2 . 3 . 4 . 5]"
86 . 1 18 ASN CA 1 18 ASN CB 1 18 ASN CG 1 18 ASN OD1 -145.00 145.00 117.09 -107.50 -107.82 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
87 . 1 18 ASN N 1 18 ASN CA 1 18 ASN C 1 19 TYR N 145.00 -5.00 -27.25 -38.94 -19.10 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
88 . 1 18 ASN N 1 18 ASN CA 1 18 ASN C 1 19 TYR N -85.00 -155.00 -27.25 -38.94 -19.10 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
89 . 1 18 ASN C 1 19 TYR N 1 19 TYR CA 1 19 TYR C 65.00 -55.00 -94.84 -103.39 -104.70 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
90 . 1 18 ASN C 1 19 TYR N 1 19 TYR CA 1 19 TYR C 175.00 75.00 -94.84 -103.39 -104.70 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
91 . 1 19 TYR N 1 19 TYR CA 1 19 TYR CB 1 19 TYR CG 35.00 -25.00 -75.93 -59.84 -63.80 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
92 . 1 19 TYR N 1 19 TYR CA 1 19 TYR CB 1 19 TYR CG 155.00 85.00 -75.93 -59.84 -63.80 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
93 . 1 19 TYR CA 1 19 TYR CB 1 19 TYR CG 1 19 TYR CD1 25.00 -25.00 26.36 -65.49 -69.99 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
94 . 1 19 TYR CA 1 19 TYR CB 1 19 TYR CG 1 19 TYR CD1 -155.00 155.00 26.36 -65.49 -69.99 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
95 . 1 19 TYR N 1 19 TYR CA 1 19 TYR C 1 20 CYS N -75.00 15.00 -1.98 4.55 3.84 14.34 50 1 "[ . 1 . 2 . 3 . 4 . +]"
96 . 1 20 CYS C 1 21 ASN N 1 21 ASN CA 1 21 ASN C 45.00 -65.00 -97.94 166.23 -60.90 4.10 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
97 . 1 20 CYS C 1 21 ASN N 1 21 ASN CA 1 21 ASN C -175.00 75.00 -97.94 166.23 -60.90 18.77 17 5 "[ . * . + 2 . 3 . 4- *. *5]"
98 . 1 21 ASN N 1 21 ASN CA 1 21 ASN CB 1 21 ASN CG 135.00 115.00 -120.93 46.18 -58.42 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
99 . 1 21 ASN CA 1 21 ASN CB 1 21 ASN CG 1 21 ASN OD1 -145.00 145.00 -118.90 -146.09 112.90 1.09 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
100 . 2 1 PHE N 2 1 PHE CA 2 1 PHE CB 2 1 PHE CG 25.00 -25.00 -109.73 -67.25 -165.90 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
101 . 2 1 PHE N 2 1 PHE CA 2 1 PHE CB 2 1 PHE CG 155.00 95.00 -109.73 -67.25 -165.90 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
102 . 2 1 PHE CA 2 1 PHE CB 2 1 PHE CG 2 1 PHE CD1 25.00 -25.00 -22.99 -89.88 164.11 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
103 . 2 1 PHE CA 2 1 PHE CB 2 1 PHE CG 2 1 PHE CD1 -155.00 155.00 -22.29 -89.88 89.68 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
104 . 2 1 PHE N 2 1 PHE CA 2 1 PHE C 2 2 VAL N 5.00 -165.00 -177.33 -99.72 -123.43 84.53 2 14 "[ +* .- 1 * * * . ** ** 4 * . ** *]"
105 . 2 1 PHE C 2 2 VAL N 2 2 VAL CA 2 2 VAL C -165.00 -65.00 -74.39 -176.29 86.82 125.72 42 10 "[* . * 1 . 2* *. ** 3- . 4*+* . 5]"
106 . 2 2 VAL N 2 2 VAL CA 2 2 VAL CB 2 2 VAL CG1 45.00 -155.00 -158.15 52.16 -57.65 97.35 24 16 "[ * * 1 *** 2 +** 3 ***. **4 *.* - 5]"
107 . 2 2 VAL N 2 2 VAL CA 2 2 VAL CB 2 2 VAL CG1 165.00 85.00 -158.15 52.16 -57.65 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
108 . 2 2 VAL N 2 2 VAL CA 2 2 VAL C 2 3 ASN N 105.00 165.00 100.67 -39.39 -50.28 144.72 7 27 "[*** * + 1** *. 2***** ** * **. **4*-* ** * *]"
109 . 2 2 VAL C 2 3 ASN N 2 3 ASN CA 2 3 ASN C -165.00 -65.00 -110.87 42.90 -55.46 129.92 4 12 "[ * +. * 1 * * * * .* 3 * *-* 4 . 5]"
110 . 2 2 VAL C 2 3 ASN N 2 3 ASN CA 2 3 ASN C -105.00 -135.00 -110.87 42.90 -55.46 14.52 43 5 "[ . 1 . 2 *. * 3 . -4 + . * 5]"
111 . 2 3 ASN N 2 3 ASN CA 2 3 ASN CB 2 3 ASN CG 155.00 -105.00 161.76 -168.66 -173.23 109.70 16 29 "[ * . - 1* ***+** 2****. ***** **.* **4** . ****]"
112 . 2 3 ASN CA 2 3 ASN CB 2 3 ASN CG 2 3 ASN OD1 -145.00 145.00 69.03 97.30 94.40 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
113 . 2 3 ASN N 2 3 ASN CA 2 3 ASN C 2 4 GLN N 145.00 -165.00 120.47 52.63 -157.80 92.37 20 36 "[******* ***** * **+* *-**** 3***** * ***** ** 5]"
114 . 2 3 ASN C 2 4 GLN N 2 4 GLN CA 2 4 GLN C -175.00 -65.00 -156.77 -154.58 -158.62 1.44 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
115 . 2 3 ASN C 2 4 GLN N 2 4 GLN CA 2 4 GLN C -115.00 -125.00 -156.77 -154.58 -158.62 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
116 . 2 4 GLN N 2 4 GLN CA 2 4 GLN CB 2 4 GLN CG 45.00 -35.00 -117.44 -173.03 -64.35 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
117 . 2 4 GLN N 2 4 GLN CA 2 4 GLN CB 2 4 GLN CG -155.00 85.00 -117.44 -173.03 -64.35 18.03 15 8 "[ * . 1 - +* * 2 . 3 * . * * . 5]"
118 . 2 4 GLN CA 2 4 GLN CB 2 4 GLN CG 2 4 GLN CD 25.00 -25.00 -144.99 50.13 -63.00 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
119 . 2 4 GLN N 2 4 GLN CA 2 4 GLN C 2 5 HIS N 145.00 -165.00 170.39 155.52 -170.68 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
120 . 2 4 GLN C 2 5 HIS N 2 5 HIS CA 2 5 HIS C 45.00 -45.00 -80.46 -99.49 -64.48 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
121 . 2 4 GLN C 2 5 HIS N 2 5 HIS CA 2 5 HIS C -155.00 75.00 -80.46 -99.49 -64.48 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
122 . 2 4 GLN C 2 5 HIS N 2 5 HIS CA 2 5 HIS C -95.00 -145.00 -80.46 -99.49 -64.48 4.49 48 0 "[ . 1 . 2 . 3 . 4 . 5]"
123 . 2 5 HIS N 2 5 HIS CA 2 5 HIS CB 2 5 HIS CG -145.00 -25.00 -70.31 -85.77 -58.50 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
124 . 2 5 HIS CA 2 5 HIS CB 2 5 HIS CG 2 5 HIS ND1 95.00 -25.00 -94.70 -124.24 -69.83 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
125 . 2 5 HIS N 2 5 HIS CA 2 5 HIS C 2 6 LEU N 85.00 35.00 139.46 126.47 -105.37 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
126 . 2 5 HIS N 2 5 HIS CA 2 5 HIS C 2 6 LEU N -85.00 135.00 139.46 126.47 -105.37 20.37 49 20 "[*- *. *1* *. **** .* * **. * ** * +*]"
127 . 2 5 HIS C 2 6 LEU N 2 6 LEU CA 2 6 LEU C 45.00 -65.00 -143.69 -142.57 -142.97 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
128 . 2 5 HIS C 2 6 LEU N 2 6 LEU CA 2 6 LEU C 175.00 65.00 -143.69 -142.57 -142.97 48.17 49 1 "[ . 1 . 2 . 3 . 4 . +5]"
129 . 2 5 HIS C 2 6 LEU N 2 6 LEU CA 2 6 LEU C -85.00 -155.00 -143.69 -142.57 -142.97 21.16 10 49 "[*********+******-******************************* *]"
130 . 2 6 LEU N 2 6 LEU CA 2 6 LEU CB 2 6 LEU CG 15.00 -25.00 -71.20 -80.06 -65.05 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
131 . 2 6 LEU N 2 6 LEU CA 2 6 LEU CB 2 6 LEU CG 145.00 75.00 -71.20 -80.06 -65.05 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
132 . 2 6 LEU CA 2 6 LEU CB 2 6 LEU CG 2 6 LEU CD1 35.00 -35.00 167.21 94.21 171.33 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
133 . 2 6 LEU CA 2 6 LEU CB 2 6 LEU CG 2 6 LEU CD1 -85.00 -155.00 167.21 94.21 171.33 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
134 . 2 6 LEU N 2 6 LEU CA 2 6 LEU C 2 7 CYS N 35.00 135.00 131.41 136.54 135.98 10.48 42 3 "[ . 1 . 2- *. 3 . 4 + . 5]"
135 . 2 6 LEU C 2 7 CYS N 2 7 CYS CA 2 7 CYS C -155.00 -75.00 -142.59 -140.16 -141.36 1.35 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
136 . 2 7 CYS N 2 7 CYS CA 2 7 CYS CB 2 7 CYS SG 155.00 -115.00 -144.91 -152.67 -153.96 55.53 8 7 "[ * .*-+ 1 . 2 . 3** . *4 . 5]"
137 . 2 7 CYS N 2 7 CYS CA 2 7 CYS C 2 8 GLY N 35.00 -165.00 145.50 130.63 157.60 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
138 . 2 7 CYS N 2 7 CYS CA 2 7 CYS C 2 8 GLY N 85.00 55.00 145.50 130.63 157.60 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
139 . 2 7 CYS C 2 8 GLY N 2 8 GLY CA 2 8 GLY C 45.00 -45.00 54.69 45.95 62.57 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
140 . 2 8 GLY N 2 8 GLY CA 2 8 GLY C 2 9 SER N 125.00 -125.00 -127.21 -125.23 -125.85 7.01 3 1 "[ + . 1 . 2 . 3 . 4 . 5]"
141 . 2 8 GLY C 2 9 SER N 2 9 SER CA 2 9 SER C 175.00 -45.00 -55.21 -59.12 -50.16 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
142 . 2 8 GLY C 2 9 SER N 2 9 SER CA 2 9 SER C -65.00 -175.00 -55.21 -59.12 -50.16 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
143 . 2 9 SER N 2 9 SER CA 2 9 SER C 2 10 HIS N 25.00 -15.00 -36.71 -38.25 -39.35 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
144 . 2 9 SER N 2 9 SER CA 2 9 SER C 2 10 HIS N -85.00 85.00 -36.71 -38.25 -39.35 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
145 . 2 9 SER C 2 10 HIS N 2 10 HIS CA 2 10 HIS C -85.00 -45.00 -70.49 -76.76 -61.08 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
146 . 2 10 HIS N 2 10 HIS CA 2 10 HIS CB 2 10 HIS CG -135.00 -115.00 -95.64 -171.00 -44.22 70.78 34 50 [*********************-***********+****************]
147 . 2 10 HIS CA 2 10 HIS CB 2 10 HIS CG 2 10 HIS ND1 25.00 115.00 -11.37 -78.06 -164.04 103.06 16 34 "[ ***** **1 ** *+****- **** ** * ** * 4***** ***]"
148 . 2 10 HIS N 2 10 HIS CA 2 10 HIS C 2 11 LEU N -75.00 -5.00 -35.57 -38.08 -39.00 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
149 . 2 10 HIS C 2 11 LEU N 2 11 LEU CA 2 11 LEU C -175.00 -45.00 -68.30 -72.86 -63.79 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
150 . 2 11 LEU N 2 11 LEU CA 2 11 LEU CB 2 11 LEU CG 155.00 -95.00 -179.61 175.90 -174.46 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
151 . 2 11 LEU CA 2 11 LEU CB 2 11 LEU CG 2 11 LEU CD1 35.00 -35.00 57.88 51.59 65.49 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
152 . 2 11 LEU CA 2 11 LEU CB 2 11 LEU CG 2 11 LEU CD1 -85.00 -155.00 57.88 51.59 65.49 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
153 . 2 11 LEU N 2 11 LEU CA 2 11 LEU C 2 12 VAL N -85.00 -5.00 -43.41 -47.29 -40.07 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
154 . 2 11 LEU C 2 12 VAL N 2 12 VAL CA 2 12 VAL C -155.00 -45.00 -60.43 -61.78 -62.10 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
155 . 2 12 VAL N 2 12 VAL CA 2 12 VAL CB 2 12 VAL CG1 165.00 -155.00 168.22 165.97 165.73 1.96 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
156 . 2 12 VAL N 2 12 VAL CA 2 12 VAL C 2 13 GLU N -85.00 -25.00 -44.51 -43.85 -44.07 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
157 . 2 12 VAL C 2 13 GLU N 2 13 GLU CA 2 13 GLU C -75.00 -45.00 -62.25 -65.69 -66.59 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
158 . 2 13 GLU N 2 13 GLU CA 2 13 GLU CB 2 13 GLU CG -165.00 -125.00 -136.63 174.32 -70.75 54.25 45 48 [*-*******1*****************************4****+*****]
159 . 2 13 GLU CA 2 13 GLU CB 2 13 GLU CG 2 13 GLU CD 45.00 -25.00 179.54 70.74 -69.29 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
160 . 2 13 GLU N 2 13 GLU CA 2 13 GLU C 2 14 ALA N -75.00 -35.00 -45.19 -52.04 -39.17 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
161 . 2 13 GLU C 2 14 ALA N 2 14 ALA CA 2 14 ALA C 45.00 -45.00 -62.19 -65.13 -57.96 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
162 . 2 13 GLU C 2 14 ALA N 2 14 ALA CA 2 14 ALA C 175.00 75.00 -62.19 -65.13 -57.96 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
163 . 2 13 GLU C 2 14 ALA N 2 14 ALA CA 2 14 ALA C -95.00 -145.00 -62.19 -65.13 -57.96 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
164 . 2 14 ALA N 2 14 ALA CA 2 14 ALA C 2 15 LEU N -85.00 85.00 -42.49 -41.71 -41.79 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
165 . 2 14 ALA C 2 15 LEU N 2 15 LEU CA 2 15 LEU C 175.00 -45.00 -60.22 -66.76 -53.66 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
166 . 2 14 ALA C 2 15 LEU N 2 15 LEU CA 2 15 LEU C -75.00 -165.00 -60.22 -66.76 -53.66 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
167 . 2 15 LEU N 2 15 LEU CA 2 15 LEU CB 2 15 LEU CG 35.00 -35.00 -84.25 178.52 -70.78 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
168 . 2 15 LEU N 2 15 LEU CA 2 15 LEU CB 2 15 LEU CG 145.00 95.00 -84.25 178.52 -70.78 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
169 . 2 15 LEU CA 2 15 LEU CB 2 15 LEU CG 2 15 LEU CD1 35.00 -35.00 154.78 -67.21 168.82 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
170 . 2 15 LEU CA 2 15 LEU CB 2 15 LEU CG 2 15 LEU CD1 -85.00 -155.00 154.78 -67.21 168.82 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
171 . 2 15 LEU N 2 15 LEU CA 2 15 LEU C 2 16 TYR N -85.00 -5.00 -44.33 -46.38 -46.79 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
172 . 2 15 LEU C 2 16 TYR N 2 16 TYR CA 2 16 TYR C 45.00 -45.00 -62.61 -62.26 -62.93 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
173 . 2 15 LEU C 2 16 TYR N 2 16 TYR CA 2 16 TYR C 175.00 75.00 -62.61 -62.26 -62.93 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
174 . 2 16 TYR N 2 16 TYR CA 2 16 TYR CB 2 16 TYR CG 25.00 -25.00 -81.85 -95.02 107.39 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
175 . 2 16 TYR N 2 16 TYR CA 2 16 TYR CB 2 16 TYR CG 155.00 95.00 -81.85 -95.02 107.39 12.39 7 2 "[ . + 1 . 2 . 3 . 4 - 5]"
176 . 2 16 TYR CA 2 16 TYR CB 2 16 TYR CG 2 16 TYR CD1 25.00 -25.00 -58.70 -83.40 -172.24 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
177 . 2 16 TYR CA 2 16 TYR CB 2 16 TYR CG 2 16 TYR CD1 -155.00 155.00 -51.95 -83.40 77.72 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
178 . 2 16 TYR N 2 16 TYR CA 2 16 TYR C 2 17 LEU N -85.00 95.00 -41.62 -51.51 -29.41 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
179 . 2 16 TYR C 2 17 LEU N 2 17 LEU CA 2 17 LEU C -145.00 -45.00 -68.54 -74.34 -63.88 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
180 . 2 17 LEU N 2 17 LEU CA 2 17 LEU CB 2 17 LEU CG -165.00 -85.00 -75.53 -94.96 -68.10 16.90 41 41 "[*-*******1*********2* **. ***3***** ** *+**** ****]"
181 . 2 17 LEU CA 2 17 LEU CB 2 17 LEU CG 2 17 LEU CD1 45.00 -45.00 156.19 56.47 174.92 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
182 . 2 17 LEU CA 2 17 LEU CB 2 17 LEU CG 2 17 LEU CD1 -85.00 -155.00 156.19 56.47 174.92 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
183 . 2 17 LEU N 2 17 LEU CA 2 17 LEU C 2 18 VAL N -85.00 -15.00 -42.10 -42.03 -42.23 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
184 . 2 17 LEU C 2 18 VAL N 2 18 VAL CA 2 18 VAL C -85.00 -45.00 -72.92 -72.29 -72.53 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
185 . 2 18 VAL N 2 18 VAL CA 2 18 VAL CB 2 18 VAL CG1 165.00 -155.00 169.69 171.02 170.69 0.13 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
186 . 2 18 VAL N 2 18 VAL CA 2 18 VAL C 2 19 CYS N -75.00 -25.00 -44.90 -44.69 -45.31 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
187 . 2 18 VAL C 2 19 CYS N 2 19 CYS CA 2 19 CYS C -155.00 -45.00 -85.96 -139.43 -70.60 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
188 . 2 18 VAL C 2 19 CYS N 2 19 CYS CA 2 19 CYS C -105.00 -135.00 -85.96 -139.43 -70.60 0.89 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
189 . 2 19 CYS N 2 19 CYS CA 2 19 CYS CB 2 19 CYS SG 165.00 -115.00 -79.40 -177.82 -50.64 64.36 1 36 "[+** *** - * * * ************ * *** *** **.*****]"
190 . 2 19 CYS N 2 19 CYS CA 2 19 CYS C 2 20 GLY N -75.00 -5.00 -25.94 -16.47 -17.24 24.41 41 2 "[ . 1- . 2 . 3 . 4+ . 5]"
191 . 2 19 CYS C 2 20 GLY N 2 20 GLY CA 2 20 GLY C 45.00 -45.00 67.37 71.68 71.10 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
192 . 2 20 GLY C 2 21 GLU N 2 21 GLU CA 2 21 GLU C 175.00 -45.00 -64.91 -59.27 -59.84 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
193 . 2 21 GLU N 2 21 GLU CA 2 21 GLU CB 2 21 GLU CG 155.00 -75.00 132.29 59.56 -167.40 95.44 29 24 "[ * .** 1 .* *2** *. **+3*** .***** * -.*** 5]"
194 . 2 21 GLU CA 2 21 GLU CB 2 21 GLU CG 2 21 GLU CD 25.00 -25.00 -168.43 173.13 172.81 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
195 . 2 21 GLU N 2 21 GLU CA 2 21 GLU C 2 22 ARG N -85.00 5.00 -18.03 -20.72 -21.10 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
196 . 2 21 GLU C 2 22 ARG N 2 22 ARG CA 2 22 ARG C 45.00 -45.00 -63.16 -61.79 -62.24 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
197 . 2 21 GLU C 2 22 ARG N 2 22 ARG CA 2 22 ARG C 175.00 75.00 -63.16 -61.79 -62.24 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
198 . 2 21 GLU C 2 22 ARG N 2 22 ARG CA 2 22 ARG C -115.00 -125.00 -63.16 -61.79 -62.24 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
199 . 2 22 ARG N 2 22 ARG CA 2 22 ARG CB 2 22 ARG CG 25.00 -25.00 -66.05 -59.50 -60.59 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
200 . 2 22 ARG N 2 22 ARG CA 2 22 ARG CB 2 22 ARG CG 155.00 95.00 -66.05 -59.50 -60.59 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
201 . 2 22 ARG CA 2 22 ARG CB 2 22 ARG CG 2 22 ARG CD 35.00 -35.00 178.78 58.38 -60.41 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
202 . 2 22 ARG N 2 22 ARG CA 2 22 ARG C 2 23 GLY N 125.00 15.00 -32.57 -24.16 -25.56 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
203 . 2 22 ARG N 2 22 ARG CA 2 22 ARG C 2 23 GLY N -85.00 -155.00 -32.57 -24.16 -25.56 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
204 . 2 22 ARG C 2 23 GLY N 2 23 GLY CA 2 23 GLY C 45.00 -45.00 77.76 74.09 73.74 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
205 . 2 23 GLY N 2 23 GLY CA 2 23 GLY C 2 24 PHE N -125.00 125.00 165.78 107.25 -150.47 54.14 13 48 "[********** *+***************-*********** *********]"
206 . 2 23 GLY C 2 24 PHE N 2 24 PHE CA 2 24 PHE C -95.00 -75.00 -125.37 -119.04 -120.52 64.85 36 39 "[********** -******** ******* ** * *+* * **.****5]"
207 . 2 24 PHE N 2 24 PHE CA 2 24 PHE CB 2 24 PHE CG -145.00 -115.00 66.30 57.64 56.43 164.28 43 50 [*******************************-**********+*******]
208 . 2 24 PHE CA 2 24 PHE CB 2 24 PHE CG 2 24 PHE CD1 45.00 -35.00 64.27 -90.08 90.29 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
209 . 2 24 PHE CA 2 24 PHE CB 2 24 PHE CG 2 24 PHE CD1 -135.00 145.00 64.27 -90.08 90.29 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
210 . 2 24 PHE N 2 24 PHE CA 2 24 PHE C 2 25 PHE N -5.00 15.00 159.64 151.20 148.42 160.20 16 50 [**********-****+**********************************]
211 . 2 24 PHE C 2 25 PHE N 2 25 PHE CA 2 25 PHE C 45.00 -45.00 -113.37 -174.82 -82.74 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
212 . 2 24 PHE C 2 25 PHE N 2 25 PHE CA 2 25 PHE C 175.00 75.00 -113.37 -174.82 -82.74 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
213 . 2 24 PHE C 2 25 PHE N 2 25 PHE CA 2 25 PHE C -105.00 -135.00 -113.37 -174.82 -82.74 14.69 4 8 "[ +. 1 * . * *2 * . 3 . * 4 .- *]"
214 . 2 25 PHE N 2 25 PHE CA 2 25 PHE CB 2 25 PHE CG 25.00 -25.00 178.52 172.64 68.77 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
215 . 2 25 PHE N 2 25 PHE CA 2 25 PHE CB 2 25 PHE CG 155.00 95.00 178.52 172.64 68.77 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
216 . 2 25 PHE CA 2 25 PHE CB 2 25 PHE CG 2 25 PHE CD1 25.00 -25.00 72.29 81.35 78.97 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
217 . 2 25 PHE CA 2 25 PHE CB 2 25 PHE CG 2 25 PHE CD1 -155.00 155.00 70.28 81.35 78.97 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
218 . 2 25 PHE N 2 25 PHE CA 2 25 PHE C 2 26 TYR N -85.00 -165.00 60.63 -60.34 158.36 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
219 . 2 25 PHE C 2 26 TYR N 2 26 TYR CA 2 26 TYR C -165.00 -85.00 -94.07 -169.28 57.03 137.97 35 28 "[* *.* 1****. * 2** *.*** 3 * *+ * **- *** ****]"
220 . 2 25 PHE C 2 26 TYR N 2 26 TYR CA 2 26 TYR C -115.00 -125.00 -94.07 -169.28 57.03 2.44 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
221 . 2 26 TYR N 2 26 TYR CA 2 26 TYR CB 2 26 TYR CG 175.00 -125.00 170.05 -168.94 -171.15 118.64 41 12 "[ *. 1 *.* 2 * .-* 3 .** *4+* . * 5]"
222 . 2 26 TYR CA 2 26 TYR CB 2 26 TYR CG 2 26 TYR CD1 25.00 -25.00 50.35 -89.82 89.96 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
223 . 2 26 TYR CA 2 26 TYR CB 2 26 TYR CG 2 26 TYR CD1 -155.00 155.00 50.35 -89.82 89.96 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
224 . 2 26 TYR N 2 26 TYR CA 2 26 TYR C 2 27 THR N 35.00 95.00 137.32 31.46 169.40 74.40 14 47 [*************+***-*2**************.**************5]
225 . 2 26 TYR C 2 27 THR N 2 27 THR CA 2 27 THR C 45.00 -65.00 -125.04 -111.65 -115.66 17.83 35 1 "[ . 1 . 2 . 3 + 4 . 5]"
226 . 2 26 TYR C 2 27 THR N 2 27 THR CA 2 27 THR C -165.00 65.00 -125.04 -111.65 -115.66 24.13 7 2 "[ . + 1 . 2 . 3 . 4 . -5]"
227 . 2 27 THR N 2 27 THR CA 2 27 THR CB 2 27 THR OG1 155.00 45.00 22.86 160.02 58.10 13.10 39 9 "[* * . 1 . 2 . -*3 ** . +4** . 5]"
228 . 2 27 THR N 2 27 THR CA 2 27 THR CB 2 27 THR OG1 -65.00 -175.00 22.86 160.02 58.10 11.51 9 3 "[ * . +1 . 2 . 3 . 4 . -5]"
229 . 2 27 THR N 2 27 THR CA 2 27 THR C 2 28 PRO N 55.00 165.00 124.33 139.68 137.20 81.98 39 1 "[ . 1 . 2 . 3 . +4 . 5]"
230 . 2 27 THR N 2 27 THR CA 2 27 THR C 2 28 PRO N 145.00 85.00 124.33 139.68 137.20 29.92 40 35 "[* **.********** * ******.* -** ***** + **.* * *]"
231 . 2 28 PRO N 2 28 PRO CA 2 28 PRO C 2 29 LYS N 95.00 -165.00 158.08 124.29 113.09 11.79 50 1 "[ . 1 . 2 . 3 . 4 . +]"
232 . 2 28 PRO C 2 29 LYS N 2 29 LYS CA 2 29 LYS C 55.00 -55.00 -60.27 -128.91 87.66 14.16 1 1 "[+ . 1 . 2 . 3 . 4 . 5]"
233 . 2 28 PRO C 2 29 LYS N 2 29 LYS CA 2 29 LYS C 175.00 75.00 -60.27 -128.91 87.66 12.66 27 2 "[ . 1 . 2 . + 3 . 4 - . 5]"
234 . 2 28 PRO C 2 29 LYS N 2 29 LYS CA 2 29 LYS C -95.00 -145.00 -60.27 -128.91 87.66 16.09 43 2 "[ . 1 . 2 . 3 - . 4 + . 5]"
235 . 2 29 LYS N 2 29 LYS CA 2 29 LYS CB 2 29 LYS CG 25.00 -25.00 -138.22 178.71 91.63 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
236 . 2 29 LYS N 2 29 LYS CA 2 29 LYS CB 2 29 LYS CG 155.00 95.00 -138.22 178.71 91.63 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
237 . 2 29 LYS CA 2 29 LYS CB 2 29 LYS CG 2 29 LYS CD 35.00 -35.00 -179.54 49.31 -50.80 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
238 . 2 29 LYS N 2 29 LYS CA 2 29 LYS C 2 30 THR N -85.00 45.00 -23.07 -55.61 119.44 74.44 27 1 "[ . 1 . 2 . + 3 . 4 . 5]"
239 . 2 29 LYS C 2 30 THR N 2 30 THR CA 2 30 THR C 45.00 -65.00 -96.91 -76.86 -78.68 7.17 10 3 "[ . + . 2 - . * 3 . 4 . 5]"
240 . 2 29 LYS C 2 30 THR N 2 30 THR CA 2 30 THR C -165.00 75.00 -96.91 -76.86 -78.68 23.05 42 3 "[ - . 1 *. 2 . 3 . 4 + . 5]"
241 . 2 30 THR N 2 30 THR CA 2 30 THR CB 2 30 THR OG1 145.00 95.00 20.51 45.39 -34.97 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
242 . 2 30 THR N 2 30 THR CA 2 30 THR CB 2 30 THR OG1 -75.00 -155.00 20.51 45.39 -34.97 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
243 . 2 30 THR N 2 30 THR CA 2 30 THR C 2 31 LYS N -85.00 135.00 -26.55 -143.88 109.00 58.88 14 5 "[ . 1 +. - * 3* . 4 . *]"
244 . 2 30 THR C 2 31 LYS N 2 31 LYS CA 2 31 LYS C 45.00 -55.00 -89.51 80.87 78.09 1.82 38 0 "[ . 1 . 2 . 3 . 4 . 5]"
245 . 2 30 THR C 2 31 LYS N 2 31 LYS CA 2 31 LYS C 175.00 75.00 -89.51 80.87 78.09 9.73 6 2 "[ - .+ 1 . 2 . 3 . 4 . 5]"
246 . 2 30 THR C 2 31 LYS N 2 31 LYS CA 2 31 LYS C -115.00 -125.00 -89.51 80.87 78.09 2.91 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
247 . 2 31 LYS N 2 31 LYS CA 2 31 LYS CB 2 31 LYS CG 25.00 -25.00 -154.45 -168.14 -170.18 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
248 . 2 31 LYS N 2 31 LYS CA 2 31 LYS CB 2 31 LYS CG 155.00 95.00 -154.45 -168.14 -170.18 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
249 . 2 31 LYS CA 2 31 LYS CB 2 31 LYS CG 2 31 LYS CD 35.00 -35.00 174.58 168.06 64.85 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
250 . 2 31 LYS N 2 31 LYS CA 2 31 LYS C 2 32 ARG N -85.00 -155.00 23.28 112.89 29.07 14.30 35 2 "[ . 1 . 2- . 3 + 4 . 5]"
251 . 2 31 LYS C 2 32 ARG N 2 32 ARG CA 2 32 ARG C 45.00 -65.00 -104.21 -68.26 -68.30 15.90 42 3 "[ . 1 . * -. 3 . 4 + . 5]"
252 . 2 31 LYS C 2 32 ARG N 2 32 ARG CA 2 32 ARG C -175.00 75.00 -104.21 -68.26 -68.30 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
253 . 2 32 ARG N 2 32 ARG CA 2 32 ARG CB 2 32 ARG CG 25.00 -25.00 -163.55 58.81 -56.88 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
254 . 2 32 ARG N 2 32 ARG CA 2 32 ARG CB 2 32 ARG CG 155.00 95.00 -163.55 58.81 -56.88 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
255 . 2 32 ARG CA 2 32 ARG CB 2 32 ARG CG 2 32 ARG CD 35.00 -35.00 173.62 58.03 57.91 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 1
_TA_constraint_stats_list.Viol_count 14
_TA_constraint_stats_list.Viol_total 555.20
_TA_constraint_stats_list.Viol_max 3.03
_TA_constraint_stats_list.Viol_rms 0.52
_TA_constraint_stats_list.Viol_average_all_restraints 0.22
_TA_constraint_stats_list.Viol_average_violations_only 0.79
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
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 2 ILE CA 1 2 ILE N 1 1 GLY C 1 1 GLY CA 170.00 -170.00 -174.61 -169.44 -169.69 3.03 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
stop_
save_
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