NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
641002 |
5zd0   |
27356 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_5zd0
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 195
_TA_constraint_stats_list.Viol_count 2271
_TA_constraint_stats_list.Viol_total 311566.47
_TA_constraint_stats_list.Viol_max 121.25
_TA_constraint_stats_list.Viol_rms 12.03
_TA_constraint_stats_list.Viol_average_all_restraints 3.99
_TA_constraint_stats_list.Viol_average_violations_only 6.86
_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 PHI 1 1 MET C 1 2 GLN N 1 2 GLN CA 1 2 GLN C -116.60 -66.10 -123.91 -94.11 -115.74 15.46 19 16 "[* *-* **********+*]"
2 PSI 1 2 GLN N 1 2 GLN CA 1 2 GLN C 1 3 ILE N 113.00 158.70 174.59 167.00 178.45 19.75 15 20 [**-***********+*****]
3 PHI 1 2 GLN C 1 3 ILE N 1 3 ILE CA 1 3 ILE C -171.20 -117.80 -139.17 -136.01 -137.75 . . 0 "[ . 1 . 2]"
4 PSI 1 3 ILE N 1 3 ILE CA 1 3 ILE C 1 4 PHE N 136.00 173.30 175.98 176.91 176.51 4.08 2 0 "[ . 1 . 2]"
5 PHI 1 3 ILE C 1 4 PHE N 1 4 PHE CA 1 4 PHE C -130.40 -92.80 -132.12 -129.68 -131.15 3.53 8 0 "[ . 1 . 2]"
6 PSI 1 4 PHE N 1 4 PHE CA 1 4 PHE C 1 5 VAL N 111.90 149.30 108.87 104.02 115.50 7.88 12 8 "[ * ** -* + *. *2]"
7 PHI 1 4 PHE C 1 5 VAL N 1 5 VAL CA 1 5 VAL C -127.80 -87.90 -97.05 -99.79 -104.26 . . 0 "[ . 1 . 2]"
8 PSI 1 5 VAL N 1 5 VAL CA 1 5 VAL C 1 6 LYS N 105.10 137.60 119.45 118.67 117.59 . . 0 "[ . 1 . 2]"
9 PHI 1 5 VAL C 1 6 LYS N 1 6 LYS CA 1 6 LYS C -118.40 -79.10 -105.55 -118.23 -100.55 . . 0 "[ . 1 . 2]"
10 PSI 1 6 LYS N 1 6 LYS CA 1 6 LYS C 1 7 THR N 98.60 149.20 115.36 110.71 120.64 . . 0 "[ . 1 . 2]"
11 PHI 1 6 LYS C 1 7 THR N 1 7 THR CA 1 7 THR C -96.40 -64.40 -65.57 -71.95 -63.04 1.36 1 0 "[ . 1 . 2]"
12 PSI 1 7 THR N 1 7 THR CA 1 7 THR C 1 8 ALA N 143.80 -175.50 173.69 171.35 168.79 . . 0 "[ . 1 . 2]"
13 PHI 1 7 THR C 1 8 ALA N 1 8 ALA CA 1 8 ALA C -84.80 -54.50 -75.68 -74.59 -75.00 . . 0 "[ . 1 . 2]"
14 PSI 1 8 ALA N 1 8 ALA CA 1 8 ALA C 1 9 THR N -30.00 3.00 -8.29 -10.42 -11.16 . . 0 "[ . 1 . 2]"
15 PHI 1 8 ALA C 1 9 THR N 1 9 THR CA 1 9 THR C -102.60 -67.40 -93.15 -97.40 -78.88 . . 0 "[ . 1 . 2]"
16 PSI 1 9 THR N 1 9 THR CA 1 9 THR C 1 10 GLY N -19.10 10.60 -2.73 -4.87 -6.61 . . 0 "[ . 1 . 2]"
17 PHI 1 9 THR C 1 10 GLY N 1 10 GLY CA 1 10 GLY C 78.90 100.10 91.11 82.80 100.23 0.13 10 0 "[ . 1 . 2]"
18 PSI 1 10 GLY N 1 10 GLY CA 1 10 GLY C 1 11 LYS N -13.30 19.80 -2.98 -7.50 0.73 . . 0 "[ . 1 . 2]"
19 PHI 1 10 GLY C 1 11 LYS N 1 11 LYS CA 1 11 LYS C -90.80 -59.60 -75.43 -76.55 -80.39 . . 0 "[ . 1 . 2]"
20 PSI 1 11 LYS N 1 11 LYS CA 1 11 LYS C 1 12 THR N 115.80 148.70 116.17 109.81 132.64 5.99 5 2 "[ + 1 - 2]"
21 PHI 1 11 LYS C 1 12 THR N 1 12 THR CA 1 12 THR C -113.60 -72.00 -78.36 -78.17 -83.80 . . 0 "[ . 1 . 2]"
22 PSI 1 12 THR N 1 12 THR CA 1 12 THR C 1 13 ILE N 107.90 140.30 138.46 138.94 137.20 4.00 7 0 "[ . 1 . 2]"
23 PHI 1 12 THR C 1 13 ILE N 1 13 ILE CA 1 13 ILE C -120.10 -90.80 -128.68 -129.82 -130.70 11.40 16 20 [******-********+****]
24 PSI 1 13 ILE N 1 13 ILE CA 1 13 ILE C 1 14 THR N 115.60 137.10 109.73 107.27 114.82 8.33 20 14 "[******-* *** *.* +]"
25 PHI 1 13 ILE C 1 14 THR N 1 14 THR CA 1 14 THR C -127.40 -80.10 -69.69 -70.00 -70.23 11.71 9 20 [********+******-****]
26 PSI 1 14 THR N 1 14 THR CA 1 14 THR C 1 15 LEU N 115.40 136.70 119.12 123.66 123.14 8.45 10 1 "[ . + . 2]"
27 PHI 1 14 THR C 1 15 LEU N 1 15 LEU CA 1 15 LEU C -138.60 -87.50 -120.87 -119.63 -120.52 . . 0 "[ . 1 . 2]"
28 PSI 1 15 LEU N 1 15 LEU CA 1 15 LEU C 1 16 GLU N 107.40 147.70 156.21 150.57 158.32 10.62 18 18 "[**-******* * ****+**]"
29 PHI 1 15 LEU C 1 16 GLU N 1 16 GLU CA 1 16 GLU C -117.60 -74.20 -137.32 -136.71 -137.09 21.32 4 20 [***+****-***********]
30 PSI 1 16 GLU N 1 16 GLU CA 1 16 GLU C 1 17 VAL N 112.20 146.30 112.22 95.89 119.47 16.31 14 4 "[ * .- * 1 +. 2]"
31 PHI 1 16 GLU C 1 17 VAL N 1 17 VAL CA 1 17 VAL C -143.00 -103.60 -126.68 -131.79 -106.23 . . 0 "[ . 1 . 2]"
32 PSI 1 17 VAL N 1 17 VAL CA 1 17 VAL C 1 18 GLU N 125.10 172.60 164.19 158.26 167.10 . . 0 "[ . 1 . 2]"
33 PHI 1 17 VAL C 1 18 GLU N 1 18 GLU CA 1 18 GLU C -144.30 -62.60 -83.70 -93.13 -75.51 . . 0 "[ . 1 . 2]"
34 PSI 1 18 GLU N 1 18 GLU CA 1 18 GLU C 1 19 PRO N 118.30 -177.60 141.71 154.23 151.56 . . 0 "[ . 1 . 2]"
35 PHI 1 20 SER C 1 21 ASP N 1 21 ASP CA 1 21 ASP C -88.10 -54.80 -87.19 -81.64 -83.95 18.47 18 3 "[ . 1 - . *+ 2]"
36 PSI 1 21 ASP N 1 21 ASP CA 1 21 ASP C 1 22 THR N -49.00 -9.10 1.50 -9.10 6.54 15.64 19 17 "[* **************+-]"
37 PHI 1 23 ILE C 1 24 GLU N 1 24 GLU CA 1 24 GLU C -75.40 -55.40 -56.46 -58.98 -53.80 1.60 9 0 "[ . 1 . 2]"
38 PSI 1 24 GLU N 1 24 GLU CA 1 24 GLU C 1 25 ASN N -49.10 -29.10 -31.84 -46.59 -28.32 0.78 12 0 "[ . 1 . 2]"
39 PHI 1 24 GLU C 1 25 ASN N 1 25 ASN CA 1 25 ASN C -77.60 -57.60 -69.23 -67.92 -69.41 . . 0 "[ . 1 . 2]"
40 PSI 1 25 ASN N 1 25 ASN CA 1 25 ASN C 1 26 VAL N -49.90 -29.90 -29.91 -28.01 -28.68 2.26 2 0 "[ . 1 . 2]"
41 PHI 1 25 ASN C 1 26 VAL N 1 26 VAL CA 1 26 VAL C -74.70 -54.70 -65.38 -63.93 -64.82 . . 0 "[ . 1 . 2]"
42 PSI 1 26 VAL N 1 26 VAL CA 1 26 VAL C 1 27 LYS N -53.60 -33.60 -30.57 -30.73 -31.38 10.25 14 1 "[ . 1 +. 2]"
43 PHI 1 26 VAL C 1 27 LYS N 1 27 LYS CA 1 27 LYS C -73.70 -53.70 -82.21 -81.92 -82.09 14.90 14 20 [**-**********+******]
44 PSI 1 27 LYS N 1 27 LYS CA 1 27 LYS C 1 28 ALA N -47.90 -27.90 -28.46 -30.14 -26.40 1.50 18 0 "[ . 1 . 2]"
45 PHI 1 27 LYS C 1 28 ALA N 1 28 ALA CA 1 28 ALA C -76.00 -56.00 -74.52 -78.17 -69.53 2.17 12 0 "[ . 1 . 2]"
46 PSI 1 28 ALA N 1 28 ALA CA 1 28 ALA C 1 29 LYS N -50.10 -30.10 -35.27 -23.69 -33.08 6.41 2 1 "[ + . 1 . 2]"
47 PHI 1 28 ALA C 1 29 LYS N 1 29 LYS CA 1 29 LYS C -78.50 -58.50 -73.51 -79.19 -68.58 0.69 8 0 "[ . 1 . 2]"
48 PSI 1 29 LYS N 1 29 LYS CA 1 29 LYS C 1 30 ILE N -50.00 -30.00 -22.30 -34.11 -18.47 11.53 6 17 "[* - *+********.*****]"
49 PHI 1 29 LYS C 1 30 ILE N 1 30 ILE CA 1 30 ILE C -76.90 -56.50 -88.98 -86.72 -88.56 15.63 9 19 [*******-+*****.*****]
50 PSI 1 30 ILE N 1 30 ILE CA 1 30 ILE C 1 31 GLN N -49.20 -27.50 -22.65 -16.63 -19.77 10.87 2 12 "[*+*** *1-* *.* **2]"
51 PHI 1 30 ILE C 1 31 GLN N 1 31 GLN CA 1 31 GLN C -78.20 -58.20 -63.93 -60.94 -62.30 . . 0 "[ . 1 . 2]"
52 PSI 1 31 GLN N 1 31 GLN CA 1 31 GLN C 1 32 ASP N -48.80 -21.10 -34.01 -41.95 -31.38 . . 0 "[ . 1 . 2]"
53 PHI 1 31 GLN C 1 32 ASP N 1 32 ASP CA 1 32 ASP C -83.40 -57.90 -79.96 -80.04 -80.57 . . 0 "[ . 1 . 2]"
54 PSI 1 32 ASP N 1 32 ASP CA 1 32 ASP C 1 33 LYS N -47.50 -6.20 -26.97 -29.73 -25.19 . . 0 "[ . 1 . 2]"
55 PHI 1 35 GLY C 1 36 ILE N 1 36 ILE CA 1 36 ILE C -84.00 -54.80 -75.80 -91.52 -69.56 7.52 13 1 "[ . 1 + . 2]"
56 PSI 1 36 ILE N 1 36 ILE CA 1 36 ILE C 1 37 PRO N 122.90 163.10 118.14 125.31 120.24 6.57 5 12 "[* +*-* * ** * * **]"
57 PHI 1 39 ASP C 1 40 GLN N 1 40 GLN CA 1 40 GLN C -123.60 -73.40 -67.80 -72.93 -63.92 9.48 9 12 "[ **** +** -* ***]"
58 PSI 1 40 GLN N 1 40 GLN CA 1 40 GLN C 1 41 GLN N -19.80 20.50 -17.31 -19.23 -15.66 . . 0 "[ . 1 . 2]"
59 PHI 1 40 GLN C 1 41 GLN N 1 41 GLN CA 1 41 GLN C -83.90 -51.90 -116.80 -118.48 -114.46 34.58 7 20 [******+*********-***]
60 PSI 1 41 GLN N 1 41 GLN CA 1 41 GLN C 1 42 ARG N 116.30 156.80 157.69 145.17 162.19 5.39 13 1 "[ . 1 + . 2]"
61 PHI 1 41 GLN C 1 42 ARG N 1 42 ARG CA 1 42 ARG C -98.00 -59.50 -148.90 -160.21 -141.85 62.21 3 20 [**+*********-*******]
62 PSI 1 42 ARG N 1 42 ARG CA 1 42 ARG C 1 43 LEU N 102.40 145.00 141.65 124.64 145.77 0.77 12 0 "[ . 1 . 2]"
63 PHI 1 42 ARG C 1 43 LEU N 1 43 LEU CA 1 43 LEU C -118.80 -90.80 -105.36 -106.00 -108.42 . . 0 "[ . 1 . 2]"
64 PSI 1 43 LEU N 1 43 LEU CA 1 43 LEU C 1 44 ALA N 118.90 142.40 156.49 155.60 157.62 15.22 19 20 [******-***********+*]
65 PHI 1 43 LEU C 1 44 ALA N 1 44 ALA CA 1 44 ALA C -145.80 -111.30 -158.68 -162.18 -152.75 16.38 10 20 [**-******+**********]
66 PSI 1 44 ALA N 1 44 ALA CA 1 44 ALA C 1 45 PHE N 116.50 171.70 168.94 165.70 171.63 . . 0 "[ . 1 . 2]"
67 PHI 1 44 ALA C 1 45 PHE N 1 45 PHE CA 1 45 PHE C -148.80 -104.90 -144.26 -146.61 -141.98 . . 0 "[ . 1 . 2]"
68 PSI 1 45 PHE N 1 45 PHE CA 1 45 PHE C 1 46 ALA N 104.10 136.30 111.30 112.07 110.67 . . 0 "[ . 1 . 2]"
69 PHI 1 45 PHE C 1 46 ALA N 1 46 ALA CA 1 46 ALA C 46.00 66.00 54.01 52.61 55.76 . . 0 "[ . 1 . 2]"
70 PSI 1 46 ALA N 1 46 ALA CA 1 46 ALA C 1 47 GLY N 25.80 48.20 19.94 18.65 21.55 7.15 11 18 "[*****- * *+*********]"
71 PHI 1 46 ALA C 1 47 GLY N 1 47 GLY CA 1 47 GLY C 74.50 94.50 104.87 105.18 104.93 12.63 9 20 [**-*****+***********]
72 PSI 1 47 GLY N 1 47 GLY CA 1 47 GLY C 1 48 LYS N -21.00 13.00 -11.05 -14.73 -9.31 . . 0 "[ . 1 . 2]"
73 PHI 1 47 GLY C 1 48 LYS N 1 48 LYS CA 1 48 LYS C -125.10 -80.40 -78.05 -76.61 -77.13 4.26 8 0 "[ . 1 . 2]"
74 PSI 1 48 LYS N 1 48 LYS CA 1 48 LYS C 1 49 GLN N 113.40 149.90 124.37 118.63 140.97 . . 0 "[ . 1 . 2]"
75 PHI 1 48 LYS C 1 49 GLN N 1 49 GLN CA 1 49 GLN C -92.50 -56.10 -69.71 -78.83 -67.07 . . 0 "[ . 1 . 2]"
76 PSI 1 49 GLN N 1 49 GLN CA 1 49 GLN C 1 50 LEU N 115.20 150.00 134.52 121.99 119.07 . . 0 "[ . 1 . 2]"
77 PHI 1 49 GLN C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -100.10 -49.30 -98.72 -109.23 -85.88 9.13 16 9 "[ *. **** *+ -*]"
78 PSI 1 50 LEU N 1 50 LEU CA 1 50 LEU C 1 51 GLU N 108.40 159.20 154.50 155.61 155.29 . . 0 "[ . 1 . 2]"
79 PHI 1 50 LEU C 1 51 GLU N 1 51 GLU CA 1 51 GLU C -102.50 -51.50 -144.65 -139.02 -142.17 46.51 20 20 [***-***************+]
80 PSI 1 51 GLU N 1 51 GLU CA 1 51 GLU C 1 52 ASP N 130.20 172.20 153.67 149.95 147.94 . . 0 "[ . 1 . 2]"
81 PHI 1 51 GLU C 1 52 ASP N 1 52 ASP CA 1 52 ASP C -70.50 -48.20 -84.29 -84.31 -85.10 15.99 18 20 [***********-*****+**]
82 PSI 1 52 ASP N 1 52 ASP CA 1 52 ASP C 1 53 GLY N 122.80 144.60 162.97 161.96 161.95 21.32 17 20 [***-************+***]
83 PHI 1 52 ASP C 1 53 GLY N 1 53 GLY CA 1 53 GLY C 67.10 106.50 106.59 96.41 119.57 13.07 7 5 "[ . + *1 -* . *]"
84 PSI 1 53 GLY N 1 53 GLY CA 1 53 GLY C 1 54 ARG N -19.10 16.20 0.47 3.45 2.26 . . 0 "[ . 1 . 2]"
85 PHI 1 55 THR C 1 56 LEU N 1 56 LEU CA 1 56 LEU C -75.00 -55.00 -63.75 -69.82 -61.62 . . 0 "[ . 1 . 2]"
86 PSI 1 56 LEU N 1 56 LEU CA 1 56 LEU C 1 57 SER N -51.70 -27.70 -31.33 -33.81 -29.38 . . 0 "[ . 1 . 2]"
87 PHI 1 56 LEU C 1 57 SER N 1 57 SER CA 1 57 SER C -79.60 -55.60 -74.81 -80.83 -72.11 1.23 11 0 "[ . 1 . 2]"
88 PSI 1 57 SER N 1 57 SER CA 1 57 SER C 1 58 ASP N -46.10 -18.70 -20.76 -22.29 -22.65 4.17 4 0 "[ . 1 . 2]"
89 PHI 1 57 SER C 1 58 ASP N 1 58 ASP CA 1 58 ASP C -84.10 -53.90 -92.68 -91.61 -91.90 10.38 13 20 [**********-*+*******]
90 PSI 1 58 ASP N 1 58 ASP CA 1 58 ASP C 1 59 TYR N -46.50 -13.00 -14.72 -14.14 -14.17 . . 0 "[ . 1 . 2]"
91 PHI 1 58 ASP C 1 59 TYR N 1 59 TYR CA 1 59 TYR C -128.50 -61.90 -77.96 -80.28 -80.85 . . 0 "[ . 1 . 2]"
92 PSI 1 59 TYR N 1 59 TYR CA 1 59 TYR C 1 60 ASN N -27.40 34.60 -72.35 -75.15 -68.60 47.75 4 20 [***+*-**************]
93 PHI 1 59 TYR C 1 60 ASN N 1 60 ASN CA 1 60 ASN C -104.80 -58.40 -152.61 -158.65 -148.46 53.85 10 20 [*********+***-******]
94 PSI 1 60 ASN N 1 60 ASN CA 1 60 ASN C 1 61 ILE N -32.20 7.00 -24.94 -24.68 -24.91 . . 0 "[ . 1 . 2]"
95 PHI 1 60 ASN C 1 61 ILE N 1 61 ILE CA 1 61 ILE C -126.60 -35.10 -54.77 -51.46 -53.35 . . 0 "[ . 1 . 2]"
96 PSI 1 61 ILE N 1 61 ILE CA 1 61 ILE C 1 62 GLN N 91.20 175.30 137.44 134.60 139.88 . . 0 "[ . 1 . 2]"
97 PHI 1 61 ILE C 1 62 GLN N 1 62 GLN CA 1 62 GLN C -97.20 -43.00 -133.00 -135.51 -129.77 38.31 10 20 [*********+****-*****]
98 PSI 1 62 GLN N 1 62 GLN CA 1 62 GLN C 1 63 LYS N 123.90 169.10 168.49 165.15 170.23 1.13 1 0 "[ . 1 . 2]"
99 PHI 1 62 GLN C 1 63 LYS N 1 63 LYS CA 1 63 LYS C -84.70 -46.50 -63.35 -66.31 -57.41 . . 0 "[ . 1 . 2]"
100 PSI 1 63 LYS N 1 63 LYS CA 1 63 LYS C 1 64 GLU N -50.10 4.60 122.85 121.79 121.59 121.25 3 20 [**+****-************]
101 PHI 1 63 LYS C 1 64 GLU N 1 64 GLU CA 1 64 GLU C 54.20 84.20 46.75 47.09 45.64 9.79 13 18 "[* **-*******+*.*****]"
102 PSI 1 64 GLU N 1 64 GLU CA 1 64 GLU C 1 65 SER N -9.60 36.60 42.97 40.33 44.88 8.28 18 19 "[*-*** ***********+**]"
103 PHI 1 64 GLU C 1 65 SER N 1 65 SER CA 1 65 SER C -122.30 -40.20 -101.51 -103.63 -99.33 . . 0 "[ . 1 . 2]"
104 PSI 1 65 SER N 1 65 SER CA 1 65 SER C 1 66 THR N 124.10 169.30 167.26 153.64 171.08 1.78 8 0 "[ . 1 . 2]"
105 PHI 1 65 SER C 1 66 THR N 1 66 THR CA 1 66 THR C -130.90 -95.40 -98.56 -102.09 -102.58 12.79 13 2 "[ . 1 + .- 2]"
106 PSI 1 66 THR N 1 66 THR CA 1 66 THR C 1 67 LEU N 112.60 138.60 133.76 122.83 136.59 . . 0 "[ . 1 . 2]"
107 PHI 1 66 THR C 1 67 LEU N 1 67 LEU CA 1 67 LEU C -120.80 -86.80 -109.72 -103.69 -109.26 . . 0 "[ . 1 . 2]"
108 PSI 1 67 LEU N 1 67 LEU CA 1 67 LEU C 1 68 HIS N 113.30 139.50 175.38 174.08 176.52 37.02 15 20 [************-*+*****]
109 PHI 1 67 LEU C 1 68 HIS N 1 68 HIS CA 1 68 HIS C -115.80 -82.40 -127.57 -131.66 -118.89 15.86 13 19 [************+***-**2]
110 PSI 1 68 HIS N 1 68 HIS CA 1 68 HIS C 1 69 LEU N 103.70 139.50 125.96 105.36 132.81 . . 0 "[ . 1 . 2]"
111 PHI 1 68 HIS C 1 69 LEU N 1 69 LEU CA 1 69 LEU C -125.40 -93.90 -118.63 -96.72 -115.53 3.10 12 0 "[ . 1 . 2]"
112 PSI 1 69 LEU N 1 69 LEU CA 1 69 LEU C 1 70 ALA N 114.50 135.60 145.77 150.62 149.79 15.29 2 18 "[*+********* *****-*2]"
113 PHI 1 69 LEU C 1 70 ALA N 1 70 ALA CA 1 70 ALA C -134.30 -103.00 -125.66 -126.48 -126.83 . . 0 "[ . 1 . 2]"
114 PSI 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1 71 LEU N 114.30 143.40 141.39 132.03 143.59 0.19 8 0 "[ . 1 . 2]"
115 PHI 1 70 ALA C 1 71 LEU N 1 71 LEU CA 1 71 LEU C -127.50 -95.60 -119.72 -125.37 -111.47 . . 0 "[ . 1 . 2]"
116 PSI 1 71 LEU N 1 71 LEU CA 1 71 LEU C 1 72 ARG N 105.10 139.40 173.83 169.74 177.55 38.15 18 20 [*-***************+**]
117 PHI 1 71 LEU C 1 72 ARG N 1 72 ARG CA 1 72 ARG C -106.70 -60.20 -70.12 -69.65 -70.94 0.34 18 0 "[ . 1 . 2]"
118 PSI 1 72 ARG N 1 72 ARG CA 1 72 ARG C 1 73 LEU N 100.80 150.60 169.60 168.01 171.93 21.33 15 20 [**************+*-***]
119 PHI 1 72 ARG C 1 73 LEU N 1 73 LEU CA 1 73 LEU C -102.70 -52.20 -81.27 -93.61 -72.38 . . 0 "[ . 1 . 2]"
120 PSI 1 73 LEU N 1 73 LEU CA 1 73 LEU C 1 74 ARG N 114.10 163.80 167.88 160.47 170.96 7.16 5 5 "[ * + - * .* 2]"
121 OMEGA 1 1 MET O 1 1 MET C 1 2 GLN N 1 2 GLN H 179.90 -179.90 -179.33 -177.59 -178.70 2.31 2 0 "[ . 1 . 2]"
122 OMEGA 1 2 GLN O 1 2 GLN C 1 3 ILE N 1 3 ILE H 179.90 -179.90 179.47 178.93 179.93 0.97 16 0 "[ . 1 . 2]"
123 OMEGA 1 3 ILE O 1 3 ILE C 1 4 PHE N 1 4 PHE H 179.90 -179.90 179.71 -179.87 179.83 0.47 20 0 "[ . 1 . 2]"
124 OMEGA 1 4 PHE O 1 4 PHE C 1 5 VAL N 1 5 VAL H 179.90 -179.90 -179.57 179.81 -178.59 1.31 13 0 "[ . 1 . 2]"
125 OMEGA 1 5 VAL O 1 5 VAL C 1 6 LYS N 1 6 LYS H 179.90 -179.90 179.63 179.61 179.52 0.91 20 0 "[ . 1 . 2]"
126 OMEGA 1 6 LYS O 1 6 LYS C 1 7 THR N 1 7 THR H 179.90 -179.90 179.95 179.61 -179.31 0.59 4 0 "[ . 1 . 2]"
127 OMEGA 1 7 THR O 1 7 THR C 1 8 ALA N 1 8 ALA H 179.90 -179.90 -179.74 179.79 -179.40 0.50 20 0 "[ . 1 . 2]"
128 OMEGA 1 8 ALA O 1 8 ALA C 1 9 THR N 1 9 THR H 179.90 -179.90 -179.99 179.51 -179.57 0.39 13 0 "[ . 1 . 2]"
129 OMEGA 1 9 THR O 1 9 THR C 1 10 GLY N 1 10 GLY H 179.90 -179.90 -179.78 179.72 -179.38 0.52 1 0 "[ . 1 . 2]"
130 OMEGA 1 10 GLY O 1 10 GLY C 1 11 LYS N 1 11 LYS H 179.90 -179.90 -179.78 -179.80 -179.86 0.29 17 0 "[ . 1 . 2]"
131 OMEGA 1 11 LYS O 1 11 LYS C 1 12 THR N 1 12 THR H 179.90 -179.90 179.82 179.41 -179.72 0.49 9 0 "[ . 1 . 2]"
132 OMEGA 1 12 THR O 1 12 THR C 1 13 ILE N 1 13 ILE H 179.90 -179.90 179.53 179.12 -179.99 0.78 11 0 "[ . 1 . 2]"
133 OMEGA 1 13 ILE O 1 13 ILE C 1 14 THR N 1 14 THR H 179.90 -179.90 -179.97 179.59 -179.56 0.34 19 0 "[ . 1 . 2]"
134 OMEGA 1 14 THR O 1 14 THR C 1 15 LEU N 1 15 LEU H 179.90 -179.90 -179.82 179.66 -178.90 1.00 4 0 "[ . 1 . 2]"
135 OMEGA 1 15 LEU O 1 15 LEU C 1 16 GLU N 1 16 GLU H 179.90 -179.90 -179.79 -179.85 -179.93 0.48 9 0 "[ . 1 . 2]"
136 OMEGA 1 16 GLU O 1 16 GLU C 1 17 VAL N 1 17 VAL H 179.90 -179.90 179.68 179.00 -179.71 0.90 13 0 "[ . 1 . 2]"
137 OMEGA 1 17 VAL O 1 17 VAL C 1 18 GLU N 1 18 GLU H 179.90 -179.90 -179.71 179.61 -179.20 0.70 1 0 "[ . 1 . 2]"
138 OMEGA 1 18 GLU O 1 18 GLU C 1 19 PRO N 1 19 PRO CD 179.90 -179.90 179.24 -179.75 179.41 1.78 2 0 "[ . 1 . 2]"
139 OMEGA 1 19 PRO O 1 19 PRO C 1 20 SER N 1 20 SER H 179.90 -179.90 179.94 179.42 -179.24 0.66 3 0 "[ . 1 . 2]"
140 OMEGA 1 20 SER O 1 20 SER C 1 21 ASP N 1 21 ASP H 179.90 -179.90 -178.90 -179.62 -178.21 1.69 9 0 "[ . 1 . 2]"
141 OMEGA 1 21 ASP O 1 21 ASP C 1 22 THR N 1 22 THR H 179.90 -179.90 -179.97 179.40 -179.56 0.50 13 0 "[ . 1 . 2]"
142 OMEGA 1 22 THR O 1 22 THR C 1 23 ILE N 1 23 ILE H 179.90 -179.90 179.54 179.52 179.44 0.77 12 0 "[ . 1 . 2]"
143 OMEGA 1 23 ILE O 1 23 ILE C 1 24 GLU N 1 24 GLU H 179.90 -179.90 179.88 179.84 179.79 0.30 8 0 "[ . 1 . 2]"
144 OMEGA 1 24 GLU O 1 24 GLU C 1 25 ASN N 1 25 ASN H 179.90 -179.90 -179.55 -179.81 -179.10 0.80 13 0 "[ . 1 . 2]"
145 OMEGA 1 25 ASN O 1 25 ASN C 1 26 VAL N 1 26 VAL H 179.90 -179.90 -179.24 -179.57 -178.94 0.96 19 0 "[ . 1 . 2]"
146 OMEGA 1 26 VAL O 1 26 VAL C 1 27 LYS N 1 27 LYS H 179.90 -179.90 -179.54 -179.49 -179.49 1.29 14 0 "[ . 1 . 2]"
147 OMEGA 1 27 LYS O 1 27 LYS C 1 28 ALA N 1 28 ALA H 179.90 -179.90 179.91 -179.85 179.98 0.50 14 0 "[ . 1 . 2]"
148 OMEGA 1 28 ALA O 1 28 ALA C 1 29 LYS N 1 29 LYS H 179.90 -179.90 179.83 179.50 -179.79 0.40 15 0 "[ . 1 . 2]"
149 OMEGA 1 29 LYS O 1 29 LYS C 1 30 ILE N 1 30 ILE H 179.90 -179.90 -179.87 -179.96 179.91 0.39 15 0 "[ . 1 . 2]"
150 OMEGA 1 30 ILE O 1 30 ILE C 1 31 GLN N 1 31 GLN H 179.90 -179.90 -179.68 179.86 -179.37 0.53 14 0 "[ . 1 . 2]"
151 OMEGA 1 31 GLN O 1 31 GLN C 1 32 ASP N 1 32 ASP H 179.90 -179.90 179.76 180.00 179.83 0.44 20 0 "[ . 1 . 2]"
152 OMEGA 1 32 ASP O 1 32 ASP C 1 33 LYS N 1 33 LYS H 179.90 -179.90 179.80 179.18 -179.51 0.72 3 0 "[ . 1 . 2]"
153 OMEGA 1 33 LYS O 1 33 LYS C 1 34 GLU N 1 34 GLU H 179.90 -179.90 179.90 179.49 -179.69 0.41 11 0 "[ . 1 . 2]"
154 OMEGA 1 34 GLU O 1 34 GLU C 1 35 GLY N 1 35 GLY H 179.90 -179.90 -179.66 -179.70 -179.73 0.48 5 0 "[ . 1 . 2]"
155 OMEGA 1 35 GLY O 1 35 GLY C 1 36 ILE N 1 36 ILE H 179.90 -179.90 -179.98 179.67 -179.62 0.28 6 0 "[ . 1 . 2]"
156 OMEGA 1 36 ILE O 1 36 ILE C 1 37 PRO N 1 37 PRO CD 179.90 -179.90 178.50 179.18 178.77 1.86 20 0 "[ . 1 . 2]"
157 OMEGA 1 37 PRO O 1 37 PRO C 1 38 PRO N 1 38 PRO CD 179.90 -179.90 178.13 177.54 178.72 2.36 12 0 "[ . 1 . 2]"
158 OMEGA 1 38 PRO O 1 38 PRO C 1 39 ASP N 1 39 ASP H 179.90 -179.90 -179.37 -179.84 -178.97 0.93 14 0 "[ . 1 . 2]"
159 OMEGA 1 39 ASP O 1 39 ASP C 1 40 GLN N 1 40 GLN H 179.90 -179.90 179.88 -179.80 -179.88 0.27 7 0 "[ . 1 . 2]"
160 OMEGA 1 40 GLN O 1 40 GLN C 1 41 GLN N 1 41 GLN H 179.90 -179.90 -179.49 179.80 -179.10 0.80 11 0 "[ . 1 . 2]"
161 OMEGA 1 41 GLN O 1 41 GLN C 1 42 ARG N 1 42 ARG H 179.90 -179.90 -179.55 -179.38 -179.41 0.72 9 0 "[ . 1 . 2]"
162 OMEGA 1 42 ARG O 1 42 ARG C 1 43 LEU N 1 43 LEU H 179.90 -179.90 -179.64 179.78 -179.22 0.68 3 0 "[ . 1 . 2]"
163 OMEGA 1 43 LEU O 1 43 LEU C 1 44 ALA N 1 44 ALA H 179.90 -179.90 -179.59 -179.78 -179.18 0.72 15 0 "[ . 1 . 2]"
164 OMEGA 1 44 ALA O 1 44 ALA C 1 45 PHE N 1 45 PHE H 179.90 -179.90 179.87 179.59 -179.66 0.31 20 0 "[ . 1 . 2]"
165 OMEGA 1 45 PHE O 1 45 PHE C 1 46 ALA N 1 46 ALA H 179.90 -179.90 -179.63 -179.52 -179.58 0.54 12 0 "[ . 1 . 2]"
166 OMEGA 1 46 ALA O 1 46 ALA C 1 47 GLY N 1 47 GLY H 179.90 -179.90 -179.78 179.83 -179.51 0.39 3 0 "[ . 1 . 2]"
167 OMEGA 1 47 GLY O 1 47 GLY C 1 48 LYS N 1 48 LYS H 179.90 -179.90 -179.27 -179.21 -179.24 1.54 12 0 "[ . 1 . 2]"
168 OMEGA 1 48 LYS O 1 48 LYS C 1 49 GLN N 1 49 GLN H 179.90 -179.90 179.93 179.83 179.70 0.64 8 0 "[ . 1 . 2]"
169 OMEGA 1 49 GLN O 1 49 GLN C 1 50 LEU N 1 50 LEU H 179.90 -179.90 -179.98 179.12 -179.12 0.78 8 0 "[ . 1 . 2]"
170 OMEGA 1 50 LEU O 1 50 LEU C 1 51 GLU N 1 51 GLU H 179.90 -179.90 -179.74 -179.50 -179.55 0.44 2 0 "[ . 1 . 2]"
171 OMEGA 1 51 GLU O 1 51 GLU C 1 52 ASP N 1 52 ASP H 179.90 -179.90 -179.85 -179.98 179.98 0.30 9 0 "[ . 1 . 2]"
172 OMEGA 1 52 ASP O 1 52 ASP C 1 53 GLY N 1 53 GLY H 179.90 -179.90 -179.76 -179.68 -179.71 0.48 14 0 "[ . 1 . 2]"
173 OMEGA 1 53 GLY O 1 53 GLY C 1 54 ARG N 1 54 ARG H 179.90 -179.90 179.86 179.42 -179.66 0.48 4 0 "[ . 1 . 2]"
174 OMEGA 1 54 ARG O 1 54 ARG C 1 55 THR N 1 55 THR H 179.90 -179.90 -179.69 -179.78 -179.86 0.52 19 0 "[ . 1 . 2]"
175 OMEGA 1 55 THR O 1 55 THR C 1 56 LEU N 1 56 LEU H 179.90 -179.90 179.75 -179.73 -179.86 0.74 3 0 "[ . 1 . 2]"
176 OMEGA 1 56 LEU O 1 56 LEU C 1 57 SER N 1 57 SER H 179.90 -179.90 -179.72 179.62 -178.90 1.00 19 0 "[ . 1 . 2]"
177 OMEGA 1 57 SER O 1 57 SER C 1 58 ASP N 1 58 ASP H 179.90 -179.90 -179.59 -179.58 -179.62 0.71 11 0 "[ . 1 . 2]"
178 OMEGA 1 58 ASP O 1 58 ASP C 1 59 TYR N 1 59 TYR H 179.90 -179.90 180.00 -179.98 179.94 0.31 8 0 "[ . 1 . 2]"
179 OMEGA 1 59 TYR O 1 59 TYR C 1 60 ASN N 1 60 ASN H 179.90 -179.90 -179.90 179.72 -179.60 0.30 1 0 "[ . 1 . 2]"
180 OMEGA 1 60 ASN O 1 60 ASN C 1 61 ILE N 1 61 ILE H 179.90 -179.90 179.60 179.37 179.89 0.53 20 0 "[ . 1 . 2]"
181 OMEGA 1 61 ILE O 1 61 ILE C 1 62 GLN N 1 62 GLN H 179.90 -179.90 -179.50 -179.74 -179.35 0.55 19 0 "[ . 1 . 2]"
182 OMEGA 1 62 GLN O 1 62 GLN C 1 63 LYS N 1 63 LYS H 179.90 -179.90 -179.93 179.72 -179.66 0.24 9 0 "[ . 1 . 2]"
183 OMEGA 1 63 LYS O 1 63 LYS C 1 64 GLU N 1 64 GLU H 179.90 -179.90 180.00 179.34 -179.39 0.56 13 0 "[ . 1 . 2]"
184 OMEGA 1 64 GLU O 1 64 GLU C 1 65 SER N 1 65 SER H 179.90 -179.90 -179.63 -179.57 -179.65 0.55 2 0 "[ . 1 . 2]"
185 OMEGA 1 65 SER O 1 65 SER C 1 66 THR N 1 66 THR H 179.90 -179.90 -179.91 -179.77 -179.78 0.47 11 0 "[ . 1 . 2]"
186 OMEGA 1 66 THR O 1 66 THR C 1 67 LEU N 1 67 LEU H 179.90 -179.90 -179.61 179.87 -179.15 0.75 1 0 "[ . 1 . 2]"
187 OMEGA 1 67 LEU O 1 67 LEU C 1 68 HIS N 1 68 HIS H 179.90 -179.90 -179.78 -179.88 -179.99 0.60 3 0 "[ . 1 . 2]"
188 OMEGA 1 68 HIS O 1 68 HIS C 1 69 LEU N 1 69 LEU H 179.90 -179.90 179.70 179.11 -179.74 0.79 3 0 "[ . 1 . 2]"
189 OMEGA 1 69 LEU O 1 69 LEU C 1 70 ALA N 1 70 ALA H 179.90 -179.90 -179.84 179.70 -179.36 0.54 10 0 "[ . 1 . 2]"
190 OMEGA 1 70 ALA O 1 70 ALA C 1 71 LEU N 1 71 LEU H 179.90 -179.90 -179.48 -179.24 -179.32 1.07 3 0 "[ . 1 . 2]"
191 OMEGA 1 71 LEU O 1 71 LEU C 1 72 ARG N 1 72 ARG H 179.90 -179.90 -179.86 -179.77 -179.83 0.57 3 0 "[ . 1 . 2]"
192 OMEGA 1 72 ARG O 1 72 ARG C 1 73 LEU N 1 73 LEU H 179.90 -179.90 -179.63 -179.41 -179.46 0.56 17 0 "[ . 1 . 2]"
193 OMEGA 1 73 LEU O 1 73 LEU C 1 74 ARG N 1 74 ARG H 179.90 -179.90 -179.72 -179.72 -179.81 0.83 13 0 "[ . 1 . 2]"
194 OMEGA 1 74 ARG O 1 74 ARG C 1 75 GLY N 1 75 GLY H 179.90 -179.90 179.97 -179.52 -179.81 0.57 20 0 "[ . 1 . 2]"
195 OMEGA 1 75 GLY O 1 75 GLY C 1 76 GLY N 1 76 GLY H 179.90 -179.90 -179.84 179.58 -179.17 0.73 3 0 "[ . 1 . 2]"
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