NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
524872 |
2ljp   |
17952 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2ljp
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 176
_TA_constraint_stats_list.Viol_count 629
_TA_constraint_stats_list.Viol_total 219543.97
_TA_constraint_stats_list.Viol_max 129.74
_TA_constraint_stats_list.Viol_rms 10.58
_TA_constraint_stats_list.Viol_average_all_restraints 3.12
_TA_constraint_stats_list.Viol_average_violations_only 17.45
_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 4 LEU C 1 5 ALA N 1 5 ALA CA 1 5 ALA C -126.10 -66.10 -108.72 179.12 -76.21 54.78 12 6 "[ * .* 1*+ * -]"
2 . 1 5 ALA N 1 5 ALA CA 1 5 ALA C 1 6 PHE N 87.10 147.10 121.74 134.42 126.74 35.45 16 2 "[ . -1 .+ 2]"
3 . 1 5 ALA C 1 6 PHE N 1 6 PHE CA 1 6 PHE C -128.70 -68.70 -96.79 -148.97 -63.78 20.27 14 1 "[ . 1 +. 2]"
4 . 1 6 PHE N 1 6 PHE CA 1 6 PHE C 1 7 PRO N 92.10 152.10 141.43 152.67 150.81 14.06 19 4 "[ *- . 1 * . +2]"
5 . 1 7 PRO C 1 8 ARG N 1 8 ARG CA 1 8 ARG C -82.30 -22.30 -71.39 -74.52 -77.80 13.77 20 1 "[ . 1 . +]"
6 . 1 8 ARG N 1 8 ARG CA 1 8 ARG C 1 9 GLU N -69.90 -9.90 -10.06 -42.72 93.57 103.47 11 6 "[* -. *1+ * . *]"
7 . 1 8 ARG C 1 9 GLU N 1 9 GLU CA 1 9 GLU C -94.90 -34.90 -83.31 -160.11 -61.83 65.21 11 4 "[ .- *1+ . *]"
8 . 1 9 GLU N 1 9 GLU CA 1 9 GLU C 1 10 LEU N -54.20 5.80 -21.69 -82.83 63.43 57.63 3 4 "[ + . *1* -. 2]"
9 . 1 9 GLU C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -122.40 -62.40 -85.18 -70.58 -80.14 57.08 3 1 "[ + . 1 . 2]"
10 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 ARG N -40.10 19.90 -18.45 -68.67 110.39 90.49 5 8 "[ * + * *1 * .* * -]"
11 . 1 11 ARG C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -120.50 -60.50 -93.12 -144.50 -59.01 24.00 20 2 "[ . 1 . - +]"
12 . 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 LEU N 120.00 180.00 120.29 130.12 113.43 33.41 5 13 "[* **+***** ***- 2]"
13 . 1 12 LEU C 1 13 LEU N 1 13 LEU CA 1 13 LEU C -146.50 -86.50 -88.08 -82.32 -86.13 23.31 18 8 "[ ** .* *1 - * +*2]"
14 . 1 13 LEU N 1 13 LEU CA 1 13 LEU C 1 14 THR N 120.40 -179.60 131.72 86.63 -62.33 117.27 5 9 "[ * +- *****. *2]"
15 . 1 16 SER C 1 17 GLN N 1 17 GLN CA 1 17 GLN C -89.30 -29.30 -64.38 -99.07 -52.22 9.77 20 1 "[ . 1 . +]"
16 . 1 17 GLN N 1 17 GLN CA 1 17 GLN C 1 18 PHE N -69.90 -9.90 -31.85 -32.84 -35.12 . . 0 "[ . 1 . 2]"
17 . 1 17 GLN C 1 18 PHE N 1 18 PHE CA 1 18 PHE C -97.70 -37.70 -63.40 -84.58 -52.76 . . 0 "[ . 1 . 2]"
18 . 1 18 PHE N 1 18 PHE CA 1 18 PHE C 1 19 THR N -67.00 -7.00 -35.63 -33.30 -36.99 10.93 19 1 "[ . 1 . +2]"
19 . 1 18 PHE C 1 19 THR N 1 19 THR CA 1 19 THR C -95.60 -35.60 -82.52 -143.57 -66.48 47.97 19 2 "[ - 1 . +2]"
20 . 1 19 THR N 1 19 THR CA 1 19 THR C 1 20 PHE N -74.10 -14.10 -26.48 -41.66 -44.68 26.83 13 1 "[ . 1 + . 2]"
21 . 1 19 THR C 1 20 PHE N 1 20 PHE CA 1 20 PHE C -90.50 -30.50 -75.91 -130.36 -57.12 39.86 13 2 "[ . - + . 2]"
22 . 1 20 PHE N 1 20 PHE CA 1 20 PHE C 1 21 VAL N -74.80 -14.80 -41.09 -39.56 -42.08 . . 0 "[ . 1 . 2]"
23 . 1 20 PHE C 1 21 VAL N 1 21 VAL CA 1 21 VAL C -94.30 -34.30 -77.64 -96.49 -67.50 2.19 19 0 "[ . 1 . 2]"
24 . 1 21 VAL N 1 21 VAL CA 1 21 VAL C 1 22 PHE N -76.40 -16.40 -17.69 -27.12 -37.75 23.46 19 5 "[ *. * 1 *. -+2]"
25 . 1 21 VAL C 1 22 PHE N 1 22 PHE CA 1 22 PHE C -92.20 -32.20 -76.56 -89.12 -65.29 . . 0 "[ . 1 . 2]"
26 . 1 22 PHE N 1 22 PHE CA 1 22 PHE C 1 23 GLN N -62.30 -2.30 -13.31 -36.48 16.11 18.41 19 3 "[ . - 1 *. +2]"
27 . 1 22 PHE C 1 23 GLN N 1 23 GLN CA 1 23 GLN C -102.30 -42.30 -67.65 -67.23 -70.32 . . 0 "[ . 1 . 2]"
28 . 1 23 GLN N 1 23 GLN CA 1 23 GLN C 1 24 GLN N -59.60 0.40 -52.68 -71.61 -29.36 12.01 19 5 "[ * . * *- . +2]"
29 . 1 25 PRO C 1 26 GLN N 1 26 GLN CA 1 26 GLN C -126.90 -66.90 -87.48 -74.54 -76.70 . . 0 "[ . 1 . 2]"
30 . 1 26 GLN N 1 26 GLN CA 1 26 GLN C 1 27 ARG N 108.70 168.70 118.48 110.11 107.27 11.39 9 4 "[ * . - +1 * . 2]"
31 . 1 26 GLN C 1 27 ARG N 1 27 ARG CA 1 27 ARG C -154.60 -94.60 -82.65 -75.79 -77.51 23.47 19 16 "[***** * ******.** +-]"
32 . 1 27 ARG N 1 27 ARG CA 1 27 ARG C 1 28 ALA N 119.10 179.10 105.90 87.09 127.87 32.01 16 15 "[ *-*.* ******+****]"
33 . 1 27 ARG C 1 28 ALA N 1 28 ALA CA 1 28 ALA C -149.80 -89.80 -127.67 -117.06 -119.45 . . 0 "[ . 1 . 2]"
34 . 1 28 ALA N 1 28 ALA CA 1 28 ALA C 1 29 GLY N 116.00 176.00 139.54 129.44 114.96 49.24 14 8 "[* * . * 1*- +. **2]"
35 . 1 29 GLY C 1 30 THR N 1 30 THR CA 1 30 THR C -143.40 -83.40 -113.86 -144.58 -60.43 22.97 13 4 "[* . * 1 + . -]"
36 . 1 30 THR N 1 30 THR CA 1 30 THR C 1 31 PRO N 114.50 174.50 162.82 149.72 145.32 1.73 9 0 "[ . 1 . 2]"
37 . 1 31 PRO C 1 32 GLN N 1 32 GLN CA 1 32 GLN C -116.20 -56.20 -86.00 -100.41 -59.46 . . 0 "[ . 1 . 2]"
38 . 1 32 GLN N 1 32 GLN CA 1 32 GLN C 1 33 ILE N -44.10 15.90 -38.42 -55.56 -4.27 11.46 19 4 "[ - . * * +2]"
39 . 1 32 GLN C 1 33 ILE N 1 33 ILE CA 1 33 ILE C -156.70 -96.70 -132.37 -131.29 -140.63 . . 0 "[ . 1 . 2]"
40 . 1 33 ILE N 1 33 ILE CA 1 33 ILE C 1 34 THR N 109.30 169.30 105.96 93.33 127.15 15.97 13 10 "[** . * -**+ * * *]"
41 . 1 33 ILE C 1 34 THR N 1 34 THR CA 1 34 THR C -154.30 -94.30 -99.66 -117.33 -85.79 8.51 20 2 "[ . 1 - . +]"
42 . 1 34 THR N 1 34 THR CA 1 34 THR C 1 35 ILE N 108.00 168.00 117.96 112.29 110.06 10.53 12 2 "[ . 1 +- . 2]"
43 . 1 34 THR C 1 35 ILE N 1 35 ILE CA 1 35 ILE C -141.90 -81.90 -96.44 -110.81 -79.70 2.20 13 0 "[ . 1 . 2]"
44 . 1 35 ILE N 1 35 ILE CA 1 35 ILE C 1 36 LEU N 92.60 152.60 115.49 114.45 110.01 . . 0 "[ . 1 . 2]"
45 . 1 35 ILE C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -148.10 -88.10 -101.91 -120.72 -82.17 5.93 13 1 "[ . 1 + . 2]"
46 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 GLY N 120.40 -179.60 124.33 90.95 -96.51 83.09 15 10 "[ * . * *1* * +**- *]"
47 . 1 37 GLY C 1 38 ARG N 1 38 ARG CA 1 38 ARG C -166.50 -106.50 -145.32 -179.64 -91.43 15.07 9 3 "[- . +1 . *2]"
48 . 1 38 ARG N 1 38 ARG CA 1 38 ARG C 1 39 LEU N 99.20 159.20 135.67 112.74 112.63 129.74 4 5 "[ +* * . -*2]"
49 . 1 38 ARG C 1 39 LEU N 1 39 LEU CA 1 39 LEU C -137.70 -77.70 -92.17 -67.52 -69.37 51.97 5 12 "[-* *+* **1 ** .*** 2]"
50 . 1 39 LEU N 1 39 LEU CA 1 39 LEU C 1 40 ASN N 101.10 161.10 114.72 122.65 111.84 96.55 7 8 "[- **+ *1 * * *]"
51 . 1 39 LEU C 1 40 ASN N 1 40 ASN CA 1 40 ASN C -142.10 -82.10 -129.71 -126.17 -133.18 39.72 6 6 "[- * .+* 1 .* *2]"
52 . 1 40 ASN N 1 40 ASN CA 1 40 ASN C 1 41 SER N 136.50 -163.50 141.60 134.03 118.04 113.84 15 7 "[* *. * *- *+ 2]"
53 . 1 41 SER C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -126.70 -66.70 -100.48 -170.42 -65.40 43.72 15 3 "[ . - 1 +* 2]"
54 . 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 GLY N -40.70 19.30 -37.07 -20.22 -27.38 26.04 19 9 "[ . * 1*** *-* +*]"
55 . 1 45 PRO C 1 46 ARG N 1 46 ARG CA 1 46 ARG C -165.20 -105.20 -126.82 -157.37 -90.90 14.30 13 3 "[ . -1* + . 2]"
56 . 1 46 ARG N 1 46 ARG CA 1 46 ARG C 1 47 ILE N 130.60 -169.40 136.18 167.61 152.25 44.33 11 7 "[ . *+ **- ** 2]"
57 . 1 46 ARG C 1 47 ILE N 1 47 ILE CA 1 47 ILE C -161.60 -101.60 -97.84 -136.78 -59.64 41.96 11 11 "[ .* *+**-**** *]"
58 . 1 47 ILE N 1 47 ILE CA 1 47 ILE C 1 48 GLY N 108.70 168.70 110.52 122.04 117.19 27.80 14 8 "[ - . * 1* +* ***2]"
59 . 1 48 GLY C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -147.80 -87.80 -77.95 -143.54 -62.28 25.52 12 15 "[** *-*** 1*+ ******2]"
60 . 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 THR N 105.00 165.00 113.19 89.17 130.86 15.83 3 2 "[ + . 1 - 2]"
61 . 1 49 LEU C 1 50 THR N 1 50 THR CA 1 50 THR C -134.70 -74.70 -105.31 -103.24 -105.54 . . 0 "[ . 1 . 2]"
62 . 1 50 THR N 1 50 THR CA 1 50 THR C 1 51 VAL N 105.90 165.90 102.58 84.43 129.87 21.47 14 9 "[ * .- * * * +* * *]"
63 . 1 51 VAL C 1 52 ALA N 1 52 ALA CA 1 52 ALA C -107.10 -47.10 -96.49 -92.97 -95.89 30.58 11 4 "[ * 1+ * . - 2]"
64 . 1 52 ALA N 1 52 ALA CA 1 52 ALA C 1 53 LYS N 92.10 152.10 157.97 116.84 -170.97 36.93 13 11 "[- *** ****+ . **2]"
65 . 1 52 ALA C 1 53 LYS N 1 53 LYS CA 1 53 LYS C -88.60 -28.60 -74.47 -69.27 -69.51 6.83 11 1 "[ . 1+ . 2]"
66 . 1 53 LYS N 1 53 LYS CA 1 53 LYS C 1 54 LYS N -60.50 -0.50 0.56 -2.52 -6.52 73.36 16 8 "[ *- * ** 1 **+ 2]"
67 . 1 53 LYS C 1 54 LYS N 1 54 LYS CA 1 54 LYS C -96.10 -36.10 -101.48 -155.33 -74.42 59.23 16 8 "[ - * * * **+ *2]"
68 . 1 54 LYS N 1 54 LYS CA 1 54 LYS C 1 55 ASN N -53.70 6.30 -15.85 -36.78 17.43 11.13 16 2 "[ . - .+ 2]"
69 . 1 54 LYS C 1 55 ASN N 1 55 ASN CA 1 55 ASN C -124.50 -64.50 -98.77 -151.72 -79.87 27.22 16 1 "[ . 1 .+ 2]"
70 . 1 55 ASN N 1 55 ASN CA 1 55 ASN C 1 56 VAL N -38.40 21.60 -38.17 -37.07 -48.23 26.37 16 8 "[* .* *1 -* *+ * 2]"
71 . 1 55 ASN C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -129.00 -69.00 -114.84 -136.64 -81.80 7.64 2 1 "[ + . 1 . 2]"
72 . 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 ARG N 89.10 149.10 111.41 85.83 153.48 4.38 19 0 "[ . 1 . 2]"
73 . 1 56 VAL C 1 57 ARG N 1 57 ARG CA 1 57 ARG C -87.50 -27.50 -87.64 -118.78 -56.83 31.28 2 9 "[ +*-*** 1 .* **2]"
74 . 1 57 ARG N 1 57 ARG CA 1 57 ARG C 1 58 ARG N -61.30 -1.30 -18.94 -68.85 74.97 76.27 7 6 "[ * * + 1* .- * 2]"
75 . 1 59 ALA C 1 60 HIS N 1 60 HIS CA 1 60 HIS C -91.80 -31.80 -69.81 -65.26 -66.87 14.66 8 1 "[ . + 1 . 2]"
76 . 1 60 HIS N 1 60 HIS CA 1 60 HIS C 1 61 GLU N -73.60 -13.60 -29.16 -31.87 -33.47 4.81 15 0 "[ . 1 . 2]"
77 . 1 60 HIS C 1 61 GLU N 1 61 GLU CA 1 61 GLU C -95.90 -35.90 -72.64 -74.61 -75.85 . . 0 "[ . 1 . 2]"
78 . 1 61 GLU N 1 61 GLU CA 1 61 GLU C 1 62 ARG N -70.20 -10.20 -25.43 -56.04 9.74 19.94 18 2 "[ . 1 .- + 2]"
79 . 1 61 GLU C 1 62 ARG N 1 62 ARG CA 1 62 ARG C -86.30 -26.30 -66.09 -76.07 -49.80 . . 0 "[ . 1 . 2]"
80 . 1 62 ARG N 1 62 ARG CA 1 62 ARG C 1 63 ASN N -76.30 -16.30 -33.31 -14.57 -20.26 4.06 2 0 "[ . 1 . 2]"
81 . 1 62 ARG C 1 63 ASN N 1 63 ASN CA 1 63 ASN C -97.00 -37.00 -73.93 -93.79 -60.29 . . 0 "[ . 1 . 2]"
82 . 1 63 ASN N 1 63 ASN CA 1 63 ASN C 1 64 ARG N -64.50 -4.50 -29.78 -49.57 0.99 5.49 5 1 "[ + 1 . 2]"
83 . 1 63 ASN C 1 64 ARG N 1 64 ARG CA 1 64 ARG C -93.10 -33.10 -66.64 -54.62 -57.04 10.07 5 1 "[ + 1 . 2]"
84 . 1 64 ARG N 1 64 ARG CA 1 64 ARG C 1 65 ILE N -74.50 -14.50 -42.27 -52.01 -17.96 . . 0 "[ . 1 . 2]"
85 . 1 64 ARG C 1 65 ILE N 1 65 ILE CA 1 65 ILE C -89.40 -29.40 -64.92 -73.56 -57.91 . . 0 "[ . 1 . 2]"
86 . 1 65 ILE N 1 65 ILE CA 1 65 ILE C 1 66 LYS N -76.30 -16.30 -39.43 -28.25 -31.82 . . 0 "[ . 1 . 2]"
87 . 1 65 ILE C 1 66 LYS N 1 66 LYS CA 1 66 LYS C -91.40 -31.40 -70.45 -67.69 -69.20 . . 0 "[ . 1 . 2]"
88 . 1 66 LYS N 1 66 LYS CA 1 66 LYS C 1 67 ARG N -74.50 -14.50 -26.31 -57.08 10.19 24.69 15 4 "[ *- * 1 + 2]"
89 . 1 66 LYS C 1 67 ARG N 1 67 ARG CA 1 67 ARG C -93.60 -33.60 -76.81 -103.58 -60.25 9.98 8 2 "[ .- + 1 . 2]"
90 . 1 67 ARG N 1 67 ARG CA 1 67 ARG C 1 68 LEU N -74.90 -14.90 -41.85 -50.10 -52.95 . . 0 "[ . 1 . 2]"
91 . 1 67 ARG C 1 68 LEU N 1 68 LEU CA 1 68 LEU C -94.30 -34.30 -63.50 -85.13 -45.56 . . 0 "[ . 1 . 2]"
92 . 1 68 LEU N 1 68 LEU CA 1 68 LEU C 1 69 THR N -67.80 -7.80 -47.28 -48.80 -49.68 . . 0 "[ . 1 . 2]"
93 . 1 68 LEU C 1 69 THR N 1 69 THR CA 1 69 THR C -100.50 -40.50 -71.42 -91.12 -58.02 . . 0 "[ . 1 . 2]"
94 . 1 69 THR N 1 69 THR CA 1 69 THR C 1 70 ARG N -65.30 -5.30 -43.52 -54.87 -56.86 5.49 18 1 "[ . 1 . + 2]"
95 . 1 69 THR C 1 70 ARG N 1 70 ARG CA 1 70 ARG C -91.30 -31.30 -67.40 -90.74 -48.04 . . 0 "[ . 1 . 2]"
96 . 1 70 ARG N 1 70 ARG CA 1 70 ARG C 1 71 GLU N -73.50 -13.50 -30.26 -33.14 -36.47 24.98 4 3 "[ +. 1 . - *]"
97 . 1 70 ARG C 1 71 GLU N 1 71 GLU CA 1 71 GLU C -93.30 -33.30 -77.61 -66.30 -68.04 17.95 20 3 "[ *. 1 . - +]"
98 . 1 71 GLU N 1 71 GLU CA 1 71 GLU C 1 72 SER N -73.40 -13.40 -38.59 -64.13 -15.64 . . 0 "[ . 1 . 2]"
99 . 1 71 GLU C 1 72 SER N 1 72 SER CA 1 72 SER C -94.10 -34.10 -73.68 -71.71 -75.50 4.58 11 0 "[ . 1 . 2]"
100 . 1 72 SER N 1 72 SER CA 1 72 SER C 1 73 PHE N -70.70 -10.70 -40.60 -39.40 -40.66 . . 0 "[ . 1 . 2]"
101 . 1 72 SER C 1 73 PHE N 1 73 PHE CA 1 73 PHE C -92.20 -32.20 -70.40 -114.24 -55.11 22.04 15 1 "[ . 1 + 2]"
102 . 1 73 PHE N 1 73 PHE CA 1 73 PHE C 1 74 ARG N -72.60 -12.60 -23.89 5.21 -11.56 29.91 2 4 "[ + -. 1 * *]"
103 . 1 73 PHE C 1 74 ARG N 1 74 ARG CA 1 74 ARG C -93.30 -33.30 -92.90 -139.18 -67.66 45.88 15 7 "[ * *.- * * + *]"
104 . 1 74 ARG N 1 74 ARG CA 1 74 ARG C 1 75 LEU N -68.60 -8.60 -20.84 -51.17 23.80 32.40 9 3 "[ . +* -. 2]"
105 . 1 74 ARG C 1 75 LEU N 1 75 LEU CA 1 75 LEU C -107.20 -47.20 -89.22 -100.35 -107.42 15.65 9 2 "[ . +- . 2]"
106 . 1 75 LEU N 1 75 LEU CA 1 75 LEU C 1 76 ARG N -65.00 -5.00 -23.32 -58.47 19.67 24.67 15 4 "[ . 1- * + * 2]"
107 . 1 76 ARG C 1 77 GLN N 1 77 GLN CA 1 77 GLN C -83.60 -23.60 -75.05 177.98 -59.49 98.42 20 3 "[ . * 1 . -+]"
108 . 1 77 GLN N 1 77 GLN CA 1 77 GLN C 1 78 HIS N -72.40 -12.40 -9.59 -29.79 79.67 92.07 7 7 "[ * .*+**1 - . * 2]"
109 . 1 77 GLN C 1 78 HIS N 1 78 HIS CA 1 78 HIS C -100.60 -40.60 -92.69 167.08 -74.70 92.32 7 4 "[ . +* 1 * . -]"
110 . 1 78 HIS N 1 78 HIS CA 1 78 HIS C 1 79 GLU N -48.90 11.10 -18.89 1.02 -10.71 11.45 2 1 "[ + . 1 . 2]"
111 . 1 82 ALA C 1 83 MET N 1 83 MET CA 1 83 MET C -145.60 -85.60 -137.78 -157.50 -108.08 11.90 6 4 "[ ** .+ 1 . - 2]"
112 . 1 83 MET N 1 83 MET CA 1 83 MET C 1 84 ASP N 128.50 -171.50 166.10 111.81 -165.54 16.69 20 3 "[ . 1 -* +]"
113 . 1 83 MET C 1 84 ASP N 1 84 ASP CA 1 84 ASP C -131.20 -71.20 -89.67 -87.20 -93.35 . . 0 "[ . 1 . 2]"
114 . 1 84 ASP N 1 84 ASP CA 1 84 ASP C 1 85 PHE N 101.80 161.80 126.48 92.69 157.72 9.11 12 1 "[ . 1 + . 2]"
115 . 1 84 ASP C 1 85 PHE N 1 85 PHE CA 1 85 PHE C -154.80 -94.80 -122.76 -91.75 -101.38 19.83 12 2 "[ - 1 + . 2]"
116 . 1 85 PHE N 1 85 PHE CA 1 85 PHE C 1 86 VAL N 121.40 -178.60 125.58 93.83 88.94 45.67 15 8 "[** * -* * +* 2]"
117 . 1 85 PHE C 1 86 VAL N 1 86 VAL CA 1 86 VAL C -161.70 -101.70 -96.73 -84.56 -86.71 33.77 15 11 "[** **** -* * +* 2]"
118 . 1 86 VAL N 1 86 VAL CA 1 86 VAL C 1 87 VAL N 99.00 159.00 119.90 111.53 105.16 . . 0 "[ . 1 . 2]"
119 . 1 86 VAL C 1 87 VAL N 1 87 VAL CA 1 87 VAL C -134.90 -74.90 -102.56 -119.95 -86.86 . . 0 "[ . 1 . 2]"
120 . 1 87 VAL N 1 87 VAL CA 1 87 VAL C 1 88 VAL N 93.40 153.40 112.44 98.00 130.81 . . 0 "[ . 1 . 2]"
121 . 1 87 VAL C 1 88 VAL N 1 88 VAL CA 1 88 VAL C -144.90 -84.90 -100.88 -104.46 -112.57 . . 0 "[ . 1 . 2]"
122 . 1 88 VAL N 1 88 VAL CA 1 88 VAL C 1 89 ALA N 98.30 158.30 112.51 108.04 107.15 1.76 15 0 "[ . 1 . 2]"
123 . 1 88 VAL C 1 89 ALA N 1 89 ALA CA 1 89 ALA C -145.80 -85.80 -84.37 -94.53 -72.43 13.37 1 6 "[+ . -**1 * .* 2]"
124 . 1 89 ALA N 1 89 ALA CA 1 89 ALA C 1 90 LYS N 100.20 160.20 129.30 109.12 149.34 . . 0 "[ . 1 . 2]"
125 . 1 89 ALA C 1 90 LYS N 1 90 LYS CA 1 90 LYS C -110.00 -50.00 -94.37 -85.26 -85.64 1.83 8 0 "[ . 1 . 2]"
126 . 1 90 LYS N 1 90 LYS CA 1 90 LYS C 1 91 LYS N 128.00 -172.00 175.55 173.03 172.51 10.08 11 1 "[ . 1+ . 2]"
127 . 1 90 LYS C 1 91 LYS N 1 91 LYS CA 1 91 LYS C -94.50 -34.50 -73.33 -68.37 -73.00 . . 0 "[ . 1 . 2]"
128 . 1 91 LYS N 1 91 LYS CA 1 91 LYS C 1 92 GLY N 104.50 164.50 119.11 110.76 105.89 45.38 3 1 "[ + . 1 . 2]"
129 . 1 92 GLY C 1 93 VAL N 1 93 VAL CA 1 93 VAL C -87.90 -27.90 -69.45 -61.50 -63.20 38.64 3 1 "[ + . 1 . 2]"
130 . 1 93 VAL N 1 93 VAL CA 1 93 VAL C 1 94 ALA N -64.20 -4.20 -22.06 -35.53 8.11 12.31 18 2 "[ - . 1 . + 2]"
131 . 1 93 VAL C 1 94 ALA N 1 94 ALA CA 1 94 ALA C -94.90 -34.90 -84.70 -93.90 -72.64 . . 0 "[ . 1 . 2]"
132 . 1 94 ALA N 1 94 ALA CA 1 94 ALA C 1 95 ASP N -62.60 -2.60 -1.72 -30.65 63.90 66.50 15 9 "[* -* * * * +* *]"
133 . 1 94 ALA C 1 95 ASP N 1 95 ASP CA 1 95 ASP C -122.40 -62.40 -115.29 -175.18 -76.81 52.78 15 5 "[ -* * 1 + * 2]"
134 . 1 95 ASP N 1 95 ASP CA 1 95 ASP C 1 96 LEU N -42.80 17.20 35.20 -29.49 106.59 89.39 3 11 "[ +-**** 1 **.* **2]"
135 . 1 96 LEU C 1 97 ASP N 1 97 ASP CA 1 97 ASP C -106.30 -46.30 -78.86 -80.46 -87.45 15.98 14 1 "[ . 1 +. 2]"
136 . 1 97 ASP N 1 97 ASP CA 1 97 ASP C 1 98 ASN N 130.40 -169.60 158.79 168.95 166.46 0.29 11 0 "[ . 1 . 2]"
137 . 1 97 ASP C 1 98 ASN N 1 98 ASN CA 1 98 ASN C -90.80 -30.80 -59.20 -56.08 -56.54 . . 0 "[ . 1 . 2]"
138 . 1 98 ASN N 1 98 ASN CA 1 98 ASN C 1 99 ARG N -64.10 -4.10 -36.18 -46.40 -24.47 . . 0 "[ . 1 . 2]"
139 . 1 98 ASN C 1 99 ARG N 1 99 ARG CA 1 99 ARG C -94.20 -34.20 -74.43 -90.57 -58.50 . . 0 "[ . 1 . 2]"
140 . 1 99 ARG N 1 99 ARG CA 1 99 ARG C 1 100 ALA N -67.80 -7.80 -35.44 -37.50 -42.54 . . 0 "[ . 1 . 2]"
141 . 1 99 ARG C 1 100 ALA N 1 100 ALA CA 1 100 ALA C -97.10 -37.10 -64.76 -76.84 -58.53 . . 0 "[ . 1 . 2]"
142 . 1 100 ALA N 1 100 ALA CA 1 100 ALA C 1 101 LEU N -68.30 -8.30 -31.87 -49.65 -5.19 3.11 8 0 "[ . 1 . 2]"
143 . 1 100 ALA C 1 101 LEU N 1 101 LEU CA 1 101 LEU C -95.40 -35.40 -65.55 -73.90 -55.97 . . 0 "[ . 1 . 2]"
144 . 1 101 LEU N 1 101 LEU CA 1 101 LEU C 1 102 SER N -67.20 -7.20 -33.25 -29.42 -32.57 . . 0 "[ . 1 . 2]"
145 . 1 101 LEU C 1 102 SER N 1 102 SER CA 1 102 SER C -97.80 -37.80 -73.94 -71.77 -72.36 . . 0 "[ . 1 . 2]"
146 . 1 102 SER N 1 102 SER CA 1 102 SER C 1 103 GLU N -69.40 -9.40 -35.43 -45.05 -22.07 . . 0 "[ . 1 . 2]"
147 . 1 102 SER C 1 103 GLU N 1 103 GLU CA 1 103 GLU C -96.70 -36.70 -71.28 -80.72 -62.38 . . 0 "[ . 1 . 2]"
148 . 1 103 GLU N 1 103 GLU CA 1 103 GLU C 1 104 ALA N -71.20 -11.20 -32.20 2.17 -17.17 18.66 2 3 "[ + .*- 1 . 2]"
149 . 1 103 GLU C 1 104 ALA N 1 104 ALA CA 1 104 ALA C -95.50 -35.50 -78.74 -117.53 -57.56 22.03 7 3 "[ * .-+ 1 . 2]"
150 . 1 104 ALA N 1 104 ALA CA 1 104 ALA C 1 105 LEU N -70.60 -10.60 -27.84 -38.17 -13.27 . . 0 "[ . 1 . 2]"
151 . 1 104 ALA C 1 105 LEU N 1 105 LEU CA 1 105 LEU C -95.30 -35.30 -60.59 -54.92 -56.29 . . 0 "[ . 1 . 2]"
152 . 1 105 LEU N 1 105 LEU CA 1 105 LEU C 1 106 GLU N -68.60 -8.60 -45.38 -47.83 -51.76 . . 0 "[ . 1 . 2]"
153 . 1 105 LEU C 1 106 GLU N 1 106 GLU CA 1 106 GLU C -92.30 -32.30 -69.91 -87.44 -60.51 . . 0 "[ . 1 . 2]"
154 . 1 106 GLU N 1 106 GLU CA 1 106 GLU C 1 107 LYS N -72.00 -12.00 -25.14 -21.23 -23.47 . . 0 "[ . 1 . 2]"
155 . 1 106 GLU C 1 107 LYS N 1 107 LYS CA 1 107 LYS C -91.80 -31.80 -67.59 -75.76 -61.81 . . 0 "[ . 1 . 2]"
156 . 1 107 LYS N 1 107 LYS CA 1 107 LYS C 1 108 LEU N -70.80 -10.80 -44.17 -46.59 -51.90 . . 0 "[ . 1 . 2]"
157 . 1 107 LYS C 1 108 LEU N 1 108 LEU CA 1 108 LEU C -92.80 -32.80 -71.36 -68.57 -71.25 . . 0 "[ . 1 . 2]"
158 . 1 108 LEU N 1 108 LEU CA 1 108 LEU C 1 109 TRP N -73.90 -13.90 -32.24 -61.42 5.51 19.41 13 3 "[ - . * 1 + . 2]"
159 . 1 108 LEU C 1 109 TRP N 1 109 TRP CA 1 109 TRP C -92.10 -32.10 -69.93 -116.02 -53.03 23.92 8 3 "[ - . + 1 * . 2]"
160 . 1 109 TRP N 1 109 TRP CA 1 109 TRP C 1 110 ARG N -73.10 -13.10 -51.96 -50.06 -52.10 . . 0 "[ . 1 . 2]"
161 . 1 109 TRP C 1 110 ARG N 1 110 ARG CA 1 110 ARG C -93.20 -33.20 -64.46 -91.28 -57.47 . . 0 "[ . 1 . 2]"
162 . 1 110 ARG N 1 110 ARG CA 1 110 ARG C 1 111 ARG N -70.10 -10.10 -37.95 -56.70 -23.59 . . 0 "[ . 1 . 2]"
163 . 1 110 ARG C 1 111 ARG N 1 111 ARG CA 1 111 ARG C -95.90 -35.90 -68.42 -86.30 -55.10 . . 0 "[ . 1 . 2]"
164 . 1 111 ARG N 1 111 ARG CA 1 111 ARG C 1 112 HIS N -71.80 -11.80 -37.69 -46.39 -53.67 . . 0 "[ . 1 . 2]"
165 . 1 111 ARG C 1 112 HIS N 1 112 HIS CA 1 112 HIS C -94.40 -34.40 -74.00 -71.25 -76.58 11.43 14 1 "[ . 1 +. 2]"
166 . 1 112 HIS N 1 112 HIS CA 1 112 HIS C 1 113 CYS N -75.70 -15.70 -33.81 -55.22 15.36 31.06 14 2 "[ . - 1 +. 2]"
167 . 1 112 HIS C 1 113 CYS N 1 113 CYS CA 1 113 CYS C -93.70 -33.70 -67.24 -99.02 -56.70 5.32 14 1 "[ . 1 +. 2]"
168 . 1 113 CYS N 1 113 CYS CA 1 113 CYS C 1 114 ARG N -69.90 -9.90 -43.39 -24.83 -33.90 . . 0 "[ . 1 . 2]"
169 . 1 113 CYS C 1 114 ARG N 1 114 ARG CA 1 114 ARG C -93.10 -33.10 -71.81 -98.59 -58.56 5.49 11 1 "[ . 1+ . 2]"
170 . 1 114 ARG N 1 114 ARG CA 1 114 ARG C 1 115 LEU N -73.20 -13.20 -26.86 -55.71 17.05 30.25 11 4 "[ .* * 1+ . -]"
171 . 1 114 ARG C 1 115 LEU N 1 115 LEU CA 1 115 LEU C -92.90 -32.90 -81.61 -74.12 -79.83 32.72 6 4 "[ - .+ 1* . *]"
172 . 1 115 LEU N 1 115 LEU CA 1 115 LEU C 1 116 ALA N -70.60 -10.60 -33.30 -50.43 63.05 73.65 17 2 "[ . - 1 . + 2]"
173 . 1 115 LEU C 1 116 ALA N 1 116 ALA CA 1 116 ALA C -97.30 -37.30 -76.97 -165.01 -61.15 67.71 17 2 "[ . - 1 . + 2]"
174 . 1 116 ALA N 1 116 ALA CA 1 116 ALA C 1 117 ARG N -52.10 7.90 -24.16 -17.40 -23.98 . . 0 "[ . 1 . 2]"
175 . 1 116 ALA C 1 117 ARG N 1 117 ARG CA 1 117 ARG C -122.40 -62.40 -99.24 -137.16 -75.86 14.76 19 1 "[ . 1 . +2]"
176 . 1 117 ARG N 1 117 ARG CA 1 117 ARG C 1 118 GLY N -43.30 16.70 10.29 -1.65 -9.55 78.09 8 4 "[ * + 1 - . *]"
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