NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
452211 |
2rql   |
11077 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2rql
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 180
_TA_constraint_stats_list.Viol_count 546
_TA_constraint_stats_list.Viol_total 9459.80
_TA_constraint_stats_list.Viol_max 5.01
_TA_constraint_stats_list.Viol_rms 0.43
_TA_constraint_stats_list.Viol_average_all_restraints 0.13
_TA_constraint_stats_list.Viol_average_violations_only 0.87
_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 2 GLN C 1 3 LEU N 1 3 LEU CA 1 3 LEU C -122.62 -72.62 -115.96 -122.93 -123.05 3.35 14 0 "[ . 1 . 2]"
2 . 1 3 LEU N 1 3 LEU CA 1 3 LEU C 1 4 ASN N 101.81 151.81 144.78 148.85 148.27 5.01 14 1 "[ . 1 +. 2]"
3 . 1 4 ASN C 1 5 ILE N 1 5 ILE CA 1 5 ILE C -138.91 -88.91 -121.99 -134.70 -100.66 . . 0 "[ . 1 . 2]"
4 . 1 5 ILE N 1 5 ILE CA 1 5 ILE C 1 6 THR N 102.87 152.87 150.53 154.23 154.15 1.36 2 0 "[ . 1 . 2]"
5 . 1 5 ILE C 1 6 THR N 1 6 THR CA 1 6 THR C -151.22 -101.22 -139.39 -152.00 -118.36 0.78 3 0 "[ . 1 . 2]"
6 . 1 6 THR N 1 6 THR CA 1 6 THR C 1 7 GLY N 119.40 169.40 120.90 118.89 118.81 1.17 19 0 "[ . 1 . 2]"
7 . 1 7 GLY C 1 8 ASN N 1 8 ASN CA 1 8 ASN C -124.15 -74.15 -103.80 -98.60 -100.71 1.04 14 0 "[ . 1 . 2]"
8 . 1 8 ASN N 1 8 ASN CA 1 8 ASN C 1 9 ASN N 109.68 159.68 111.71 109.05 116.94 0.63 15 0 "[ . 1 . 2]"
9 . 1 9 ASN C 1 10 VAL N 1 10 VAL CA 1 10 VAL C -150.52 -100.52 -146.60 -151.64 -152.01 4.98 18 0 "[ . 1 . 2]"
10 . 1 10 VAL N 1 10 VAL CA 1 10 VAL C 1 11 GLU N 119.85 169.85 138.27 132.43 169.44 . . 0 "[ . 1 . 2]"
11 . 1 10 VAL C 1 11 GLU N 1 11 GLU CA 1 11 GLU C -108.68 -58.68 -83.75 -76.48 -76.76 1.82 18 0 "[ . 1 . 2]"
12 . 1 11 GLU N 1 11 GLU CA 1 11 GLU C 1 12 ILE N 101.73 151.73 122.42 118.37 118.12 . . 0 "[ . 1 . 2]"
13 . 1 11 GLU C 1 12 ILE N 1 12 ILE CA 1 12 ILE C -115.21 -65.21 -77.72 -66.97 -70.11 . . 0 "[ . 1 . 2]"
14 . 1 12 ILE N 1 12 ILE CA 1 12 ILE C 1 13 THR N 94.16 144.16 99.71 93.84 117.55 0.32 7 0 "[ . 1 . 2]"
15 . 1 12 ILE C 1 13 THR N 1 13 THR CA 1 13 THR C -114.93 -64.93 -98.85 -114.09 -91.46 . . 0 "[ . 1 . 2]"
16 . 1 13 THR N 1 13 THR CA 1 13 THR C 1 14 GLU N 129.13 179.13 142.51 129.10 155.32 0.03 2 0 "[ . 1 . 2]"
17 . 1 13 THR C 1 14 GLU N 1 14 GLU CA 1 14 GLU C -83.74 -33.74 -36.27 -37.58 -38.06 0.73 6 0 "[ . 1 . 2]"
18 . 1 14 GLU N 1 14 GLU CA 1 14 GLU C 1 15 ALA N -63.03 -13.03 -41.55 -34.12 -35.53 . . 0 "[ . 1 . 2]"
19 . 1 14 GLU C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -90.68 -40.68 -64.77 -68.90 -68.98 . . 0 "[ . 1 . 2]"
20 . 1 15 ALA N 1 15 ALA CA 1 15 ALA C 1 16 LEU N -63.17 -13.17 -47.31 -47.33 -47.54 . . 0 "[ . 1 . 2]"
21 . 1 15 ALA C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -92.08 -42.08 -58.32 -64.00 -55.62 . . 0 "[ . 1 . 2]"
22 . 1 16 LEU N 1 16 LEU CA 1 16 LEU C 1 17 ARG N -67.70 -17.70 -60.29 -64.01 -66.17 0.43 9 0 "[ . 1 . 2]"
23 . 1 16 LEU C 1 17 ARG N 1 17 ARG CA 1 17 ARG C -89.91 -39.91 -55.91 -70.03 -46.15 . . 0 "[ . 1 . 2]"
24 . 1 17 ARG N 1 17 ARG CA 1 17 ARG C 1 18 GLU N -66.01 -16.01 -41.49 -46.17 -38.05 . . 0 "[ . 1 . 2]"
25 . 1 17 ARG C 1 18 GLU N 1 18 GLU CA 1 18 GLU C -91.64 -41.64 -61.45 -58.53 -60.74 . . 0 "[ . 1 . 2]"
26 . 1 18 GLU N 1 18 GLU CA 1 18 GLU C 1 19 PHE N -61.33 -11.33 -48.57 -45.01 -45.41 . . 0 "[ . 1 . 2]"
27 . 1 18 GLU C 1 19 PHE N 1 19 PHE CA 1 19 PHE C -93.91 -43.91 -54.07 -59.44 -45.77 . . 0 "[ . 1 . 2]"
28 . 1 19 PHE N 1 19 PHE CA 1 19 PHE C 1 20 VAL N -64.06 -14.06 -47.43 -45.90 -46.43 . . 0 "[ . 1 . 2]"
29 . 1 19 PHE C 1 20 VAL N 1 20 VAL CA 1 20 VAL C -85.38 -35.38 -61.34 -64.05 -58.49 . . 0 "[ . 1 . 2]"
30 . 1 20 VAL N 1 20 VAL CA 1 20 VAL C 1 21 THR N -69.86 -19.86 -51.41 -58.40 -44.66 . . 0 "[ . 1 . 2]"
31 . 1 20 VAL C 1 21 THR N 1 21 THR CA 1 21 THR C -88.66 -38.66 -63.48 -60.16 -61.46 . . 0 "[ . 1 . 2]"
32 . 1 21 THR N 1 21 THR CA 1 21 THR C 1 22 ALA N -68.73 -18.73 -30.34 -30.64 -30.96 . . 0 "[ . 1 . 2]"
33 . 1 21 THR C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -88.62 -38.62 -57.47 -58.42 -58.58 . . 0 "[ . 1 . 2]"
34 . 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 LYS N -66.27 -16.27 -45.17 -47.80 -40.09 . . 0 "[ . 1 . 2]"
35 . 1 22 ALA C 1 23 LYS N 1 23 LYS CA 1 23 LYS C -92.36 -42.36 -68.06 -76.29 -60.18 . . 0 "[ . 1 . 2]"
36 . 1 23 LYS N 1 23 LYS CA 1 23 LYS C 1 24 PHE N -66.34 -16.34 -51.30 -49.25 -51.05 . . 0 "[ . 1 . 2]"
37 . 1 23 LYS C 1 24 PHE N 1 24 PHE CA 1 24 PHE C -89.70 -39.70 -52.38 -51.47 -51.74 . . 0 "[ . 1 . 2]"
38 . 1 24 PHE N 1 24 PHE CA 1 24 PHE C 1 25 ALA N -65.61 -15.61 -43.08 -51.77 -13.34 2.27 16 0 "[ . 1 . 2]"
39 . 1 24 PHE C 1 25 ALA N 1 25 ALA CA 1 25 ALA C -88.11 -38.11 -55.69 -52.52 -52.87 . . 0 "[ . 1 . 2]"
40 . 1 25 ALA N 1 25 ALA CA 1 25 ALA C 1 26 LYS N -66.63 -16.63 -52.43 -54.65 -55.25 . . 0 "[ . 1 . 2]"
41 . 1 25 ALA C 1 26 LYS N 1 26 LYS CA 1 26 LYS C -92.27 -42.27 -56.53 -70.38 -52.71 . . 0 "[ . 1 . 2]"
42 . 1 26 LYS N 1 26 LYS CA 1 26 LYS C 1 27 LEU N -55.41 -5.41 -27.22 -27.09 -27.96 . . 0 "[ . 1 . 2]"
43 . 1 27 LEU C 1 28 GLU N 1 28 GLU CA 1 28 GLU C -85.06 -35.06 -62.22 -67.30 -56.68 . . 0 "[ . 1 . 2]"
44 . 1 28 GLU N 1 28 GLU CA 1 28 GLU C 1 29 GLN N -66.31 -16.31 -14.12 -13.78 -13.92 3.88 18 0 "[ . 1 . 2]"
45 . 1 28 GLU C 1 29 GLN N 1 29 GLN CA 1 29 GLN C -88.62 -38.62 -70.42 -71.90 -72.01 . . 0 "[ . 1 . 2]"
46 . 1 29 GLN N 1 29 GLN CA 1 29 GLN C 1 30 TYR N -61.01 -11.01 -54.91 -50.42 -53.00 0.01 14 0 "[ . 1 . 2]"
47 . 1 29 GLN C 1 30 TYR N 1 30 TYR CA 1 30 TYR C -107.61 -57.61 -92.94 -107.75 -80.93 0.14 18 0 "[ . 1 . 2]"
48 . 1 30 TYR N 1 30 TYR CA 1 30 TYR C 1 31 PHE N -47.76 2.24 -14.11 -12.41 -21.49 0.46 2 0 "[ . 1 . 2]"
49 . 1 30 TYR C 1 31 PHE N 1 31 PHE CA 1 31 PHE C -140.00 -90.00 -105.53 -124.79 -91.99 . . 0 "[ . 1 . 2]"
50 . 1 31 PHE N 1 31 PHE CA 1 31 PHE C 1 32 ASP N 119.00 169.00 119.23 118.57 118.29 1.20 17 0 "[ . 1 . 2]"
51 . 1 31 PHE C 1 32 ASP N 1 32 ASP CA 1 32 ASP C -108.00 -58.00 -107.58 -108.52 -108.70 1.43 17 0 "[ . 1 . 2]"
52 . 1 32 ASP N 1 32 ASP CA 1 32 ASP C 1 33 ARG N -46.00 4.00 -18.89 -31.69 4.21 0.21 13 0 "[ . 1 . 2]"
53 . 1 33 ARG C 1 34 ILE N 1 34 ILE CA 1 34 ILE C -144.00 -94.00 -139.51 -144.30 -128.97 0.30 4 0 "[ . 1 . 2]"
54 . 1 34 ILE N 1 34 ILE CA 1 34 ILE C 1 35 ASN N 106.00 156.00 115.91 115.42 114.07 0.15 1 0 "[ . 1 . 2]"
55 . 1 35 ASN C 1 36 GLN N 1 36 GLN CA 1 36 GLN C -144.42 -94.42 -127.60 -129.96 -125.37 . . 0 "[ . 1 . 2]"
56 . 1 36 GLN N 1 36 GLN CA 1 36 GLN C 1 37 VAL N 117.19 167.19 118.08 116.51 116.27 0.92 1 0 "[ . 1 . 2]"
57 . 1 36 GLN C 1 37 VAL N 1 37 VAL CA 1 37 VAL C -141.90 -91.90 -125.94 -132.70 -121.89 . . 0 "[ . 1 . 2]"
58 . 1 37 VAL N 1 37 VAL CA 1 37 VAL C 1 38 TYR N 103.47 153.47 135.11 134.28 134.10 . . 0 "[ . 1 . 2]"
59 . 1 37 VAL C 1 38 TYR N 1 38 TYR CA 1 38 TYR C -136.52 -86.52 -130.93 -134.23 -128.11 . . 0 "[ . 1 . 2]"
60 . 1 38 TYR N 1 38 TYR CA 1 38 TYR C 1 39 VAL N 98.70 148.70 136.12 129.80 127.56 0.21 3 0 "[ . 1 . 2]"
61 . 1 38 TYR C 1 39 VAL N 1 39 VAL CA 1 39 VAL C -139.71 -89.71 -129.17 -138.67 -116.45 . . 0 "[ . 1 . 2]"
62 . 1 39 VAL N 1 39 VAL CA 1 39 VAL C 1 40 VAL N 96.62 146.62 145.71 143.88 147.19 0.57 8 0 "[ . 1 . 2]"
63 . 1 39 VAL C 1 40 VAL N 1 40 VAL CA 1 40 VAL C -148.24 -98.24 -142.24 -146.62 -137.57 . . 0 "[ . 1 . 2]"
64 . 1 40 VAL N 1 40 VAL CA 1 40 VAL C 1 41 LEU N 97.75 147.75 133.92 135.08 134.63 . . 0 "[ . 1 . 2]"
65 . 1 40 VAL C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -129.75 -79.75 -131.41 -131.20 -131.27 2.02 20 0 "[ . 1 . 2]"
66 . 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 LYS N 99.42 149.42 128.80 129.16 128.77 . . 0 "[ . 1 . 2]"
67 . 1 41 LEU C 1 42 LYS N 1 42 LYS CA 1 42 LYS C -143.81 -93.81 -104.19 -108.29 -100.73 . . 0 "[ . 1 . 2]"
68 . 1 42 LYS N 1 42 LYS CA 1 42 LYS C 1 43 VAL N 109.63 159.63 138.04 139.27 138.56 . . 0 "[ . 1 . 2]"
69 . 1 42 LYS C 1 43 VAL N 1 43 VAL CA 1 43 VAL C -142.37 -92.37 -118.20 -117.98 -119.67 . . 0 "[ . 1 . 2]"
70 . 1 43 VAL N 1 43 VAL CA 1 43 VAL C 1 44 GLU N 102.83 152.83 113.36 113.66 110.80 . . 0 "[ . 1 . 2]"
71 . 1 43 VAL C 1 44 GLU N 1 44 GLU CA 1 44 GLU C -136.62 -86.62 -132.78 -136.89 -123.96 0.27 2 0 "[ . 1 . 2]"
72 . 1 44 GLU N 1 44 GLU CA 1 44 GLU C 1 45 LYS N 101.81 151.81 152.57 152.61 152.51 1.26 15 0 "[ . 1 . 2]"
73 . 1 44 GLU C 1 45 LYS N 1 45 LYS CA 1 45 LYS C -86.00 -36.00 -52.83 -45.72 -51.53 . . 0 "[ . 1 . 2]"
74 . 1 45 LYS N 1 45 LYS CA 1 45 LYS C 1 46 VAL N -53.00 -3.00 -20.26 -27.69 -17.25 . . 0 "[ . 1 . 2]"
75 . 1 46 VAL C 1 47 THR N 1 47 THR CA 1 47 THR C -127.76 -77.76 -127.22 -83.49 -128.90 2.33 10 0 "[ . 1 . 2]"
76 . 1 47 THR N 1 47 THR CA 1 47 THR C 1 48 HIS N 103.96 153.96 153.26 154.53 154.26 1.24 2 0 "[ . 1 . 2]"
77 . 1 47 THR C 1 48 HIS N 1 48 HIS CA 1 48 HIS C -118.28 -68.28 -96.36 -94.75 -95.82 . . 0 "[ . 1 . 2]"
78 . 1 48 HIS N 1 48 HIS CA 1 48 HIS C 1 49 THR N 104.96 154.96 136.31 150.64 141.39 . . 0 "[ . 1 . 2]"
79 . 1 48 HIS C 1 49 THR N 1 49 THR CA 1 49 THR C -145.26 -95.26 -127.24 -134.05 -120.61 . . 0 "[ . 1 . 2]"
80 . 1 49 THR N 1 49 THR CA 1 49 THR C 1 50 SER N 109.09 159.09 136.63 119.80 142.93 . . 0 "[ . 1 . 2]"
81 . 1 49 THR C 1 50 SER N 1 50 SER CA 1 50 SER C -144.81 -94.81 -136.39 -130.08 -133.25 . . 0 "[ . 1 . 2]"
82 . 1 50 SER N 1 50 SER CA 1 50 SER C 1 51 ASP N 105.93 155.93 143.76 137.59 148.40 . . 0 "[ . 1 . 2]"
83 . 1 50 SER C 1 51 ASP N 1 51 ASP CA 1 51 ASP C -147.77 -97.77 -128.75 -124.75 -126.51 . . 0 "[ . 1 . 2]"
84 . 1 51 ASP N 1 51 ASP CA 1 51 ASP C 1 52 ALA N 111.27 161.27 148.18 148.27 147.30 . . 0 "[ . 1 . 2]"
85 . 1 51 ASP C 1 52 ALA N 1 52 ALA CA 1 52 ALA C -156.66 -106.66 -139.89 -152.08 -128.57 . . 0 "[ . 1 . 2]"
86 . 1 52 ALA N 1 52 ALA CA 1 52 ALA C 1 53 THR N 111.31 161.31 119.97 110.12 142.80 1.19 15 0 "[ . 1 . 2]"
87 . 1 52 ALA C 1 53 THR N 1 53 THR CA 1 53 THR C -140.04 -90.04 -116.82 -112.07 -140.33 0.86 13 0 "[ . 1 . 2]"
88 . 1 53 THR N 1 53 THR CA 1 53 THR C 1 54 LEU N 99.96 149.96 109.13 108.20 107.61 . . 0 "[ . 1 . 2]"
89 . 1 53 THR C 1 54 LEU N 1 54 LEU CA 1 54 LEU C -133.16 -83.16 -99.83 -101.03 -101.41 . . 0 "[ . 1 . 2]"
90 . 1 54 LEU N 1 54 LEU CA 1 54 LEU C 1 55 HIS N 95.33 145.33 145.36 143.24 146.36 1.03 16 0 "[ . 1 . 2]"
91 . 1 54 LEU C 1 55 HIS N 1 55 HIS CA 1 55 HIS C -127.85 -77.85 -101.69 -106.69 -107.64 . . 0 "[ . 1 . 2]"
92 . 1 55 HIS N 1 55 HIS CA 1 55 HIS C 1 56 VAL N 101.58 151.58 133.20 117.08 140.12 . . 0 "[ . 1 . 2]"
93 . 1 55 HIS C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -140.40 -90.40 -126.19 -141.75 -90.30 1.35 20 0 "[ . 1 . 2]"
94 . 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 ASN N 118.69 168.69 151.81 154.56 153.16 1.38 4 0 "[ . 1 . 2]"
95 . 1 59 GLY C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -140.09 -90.09 -139.57 -141.30 -134.98 1.21 14 0 "[ . 1 . 2]"
96 . 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 ILE N 116.62 166.62 128.31 131.78 130.88 0.25 4 0 "[ . 1 . 2]"
97 . 1 60 GLU C 1 61 ILE N 1 61 ILE CA 1 61 ILE C -152.60 -102.60 -102.20 -103.83 -101.15 1.45 14 0 "[ . 1 . 2]"
98 . 1 61 ILE N 1 61 ILE CA 1 61 ILE C 1 62 HIS N 100.64 150.64 139.12 140.27 140.05 . . 0 "[ . 1 . 2]"
99 . 1 61 ILE C 1 62 HIS N 1 62 HIS CA 1 62 HIS C -131.78 -81.78 -133.52 -133.36 -133.43 2.83 19 0 "[ . 1 . 2]"
100 . 1 62 HIS N 1 62 HIS CA 1 62 HIS C 1 63 ALA N 112.57 162.57 112.27 111.86 113.67 0.71 8 0 "[ . 1 . 2]"
101 . 1 62 HIS C 1 63 ALA N 1 63 ALA CA 1 63 ALA C -166.24 -116.24 -127.77 -130.20 -133.68 . . 0 "[ . 1 . 2]"
102 . 1 63 ALA N 1 63 ALA CA 1 63 ALA C 1 64 SER N 128.06 178.06 157.52 148.90 166.14 . . 0 "[ . 1 . 2]"
103 . 1 63 ALA C 1 64 SER N 1 64 SER CA 1 64 SER C -139.87 -89.87 -140.97 -142.27 -140.14 2.40 11 0 "[ . 1 . 2]"
104 . 1 64 SER N 1 64 SER CA 1 64 SER C 1 65 ALA N 113.52 163.52 137.65 117.17 153.56 . . 0 "[ . 1 . 2]"
105 . 1 64 SER C 1 65 ALA N 1 65 ALA CA 1 65 ALA C -161.59 -111.59 -133.77 -149.23 -111.90 . . 0 "[ . 1 . 2]"
106 . 1 65 ALA N 1 65 ALA CA 1 65 ALA C 1 66 GLU N 120.35 170.35 158.54 153.05 150.73 0.44 15 0 "[ . 1 . 2]"
107 . 1 65 ALA C 1 66 GLU N 1 66 GLU CA 1 66 GLU C -155.22 -105.22 -130.83 -148.20 -104.95 0.27 10 0 "[ . 1 . 2]"
108 . 1 66 GLU N 1 66 GLU CA 1 66 GLU C 1 67 GLY N 123.51 173.51 157.39 147.08 167.18 . . 0 "[ . 1 . 2]"
109 . 1 68 GLN C 1 69 ASP N 1 69 ASP CA 1 69 ASP C -157.79 -107.79 -152.24 -151.46 -153.25 0.19 14 0 "[ . 1 . 2]"
110 . 1 69 ASP N 1 69 ASP CA 1 69 ASP C 1 70 MET N 126.37 176.37 174.89 167.73 176.95 0.58 8 0 "[ . 1 . 2]"
111 . 1 70 MET C 1 71 TYR N 1 71 TYR CA 1 71 TYR C -89.89 -39.89 -76.06 -90.96 -53.88 1.07 12 0 "[ . 1 . 2]"
112 . 1 71 TYR N 1 71 TYR CA 1 71 TYR C 1 72 ALA N -65.06 -15.06 -39.22 -39.30 -40.01 . . 0 "[ . 1 . 2]"
113 . 1 71 TYR C 1 72 ALA N 1 72 ALA CA 1 72 ALA C -85.69 -35.69 -62.65 -65.14 -65.83 . . 0 "[ . 1 . 2]"
114 . 1 72 ALA N 1 72 ALA CA 1 72 ALA C 1 73 ALA N -66.53 -16.53 -47.74 -55.81 -39.48 . . 0 "[ . 1 . 2]"
115 . 1 72 ALA C 1 73 ALA N 1 73 ALA CA 1 73 ALA C -92.40 -42.40 -53.56 -54.87 -55.62 . . 0 "[ . 1 . 2]"
116 . 1 73 ALA N 1 73 ALA CA 1 73 ALA C 1 74 ILE N -65.26 -15.26 -35.04 -34.54 -36.50 . . 0 "[ . 1 . 2]"
117 . 1 73 ALA C 1 74 ILE N 1 74 ILE CA 1 74 ILE C -89.59 -39.59 -75.70 -79.69 -69.49 . . 0 "[ . 1 . 2]"
118 . 1 74 ILE N 1 74 ILE CA 1 74 ILE C 1 75 ASP N -66.83 -16.83 -31.17 -31.80 -32.52 . . 0 "[ . 1 . 2]"
119 . 1 74 ILE C 1 75 ASP N 1 75 ASP CA 1 75 ASP C -86.16 -36.16 -64.59 -74.26 -51.18 . . 0 "[ . 1 . 2]"
120 . 1 75 ASP N 1 75 ASP CA 1 75 ASP C 1 76 GLY N -58.78 -8.78 -55.43 -55.15 -55.65 . . 0 "[ . 1 . 2]"
121 . 1 75 ASP C 1 76 GLY N 1 76 GLY CA 1 76 GLY C -93.58 -43.58 -68.39 -69.08 -69.46 . . 0 "[ . 1 . 2]"
122 . 1 76 GLY N 1 76 GLY CA 1 76 GLY C 1 77 LEU N -65.41 -15.41 -32.06 -46.46 -22.09 . . 0 "[ . 1 . 2]"
123 . 1 76 GLY C 1 77 LEU N 1 77 LEU CA 1 77 LEU C -88.63 -38.63 -70.10 -70.22 -70.96 . . 0 "[ . 1 . 2]"
124 . 1 77 LEU N 1 77 LEU CA 1 77 LEU C 1 78 ILE N -68.54 -18.54 -43.92 -43.06 -43.96 . . 0 "[ . 1 . 2]"
125 . 1 77 LEU C 1 78 ILE N 1 78 ILE CA 1 78 ILE C -88.22 -38.22 -75.60 -76.47 -79.06 . . 0 "[ . 1 . 2]"
126 . 1 78 ILE N 1 78 ILE CA 1 78 ILE C 1 79 ASP N -64.46 -14.46 -16.47 -20.05 -13.71 0.75 4 0 "[ . 1 . 2]"
127 . 1 78 ILE C 1 79 ASP N 1 79 ASP CA 1 79 ASP C -86.79 -36.79 -78.11 -84.05 -74.96 . . 0 "[ . 1 . 2]"
128 . 1 79 ASP N 1 79 ASP CA 1 79 ASP C 1 80 LYS N -69.87 -19.87 -54.52 -54.73 -55.95 . . 0 "[ . 1 . 2]"
129 . 1 79 ASP C 1 80 LYS N 1 80 LYS CA 1 80 LYS C -91.09 -41.09 -65.95 -73.74 -59.55 . . 0 "[ . 1 . 2]"
130 . 1 80 LYS N 1 80 LYS CA 1 80 LYS C 1 81 LEU N -64.95 -14.95 -34.04 -28.91 -31.21 . . 0 "[ . 1 . 2]"
131 . 1 80 LYS C 1 81 LEU N 1 81 LEU CA 1 81 LEU C -91.34 -41.34 -63.69 -70.45 -58.39 . . 0 "[ . 1 . 2]"
132 . 1 81 LEU N 1 81 LEU CA 1 81 LEU C 1 82 ALA N -64.61 -14.61 -49.05 -52.44 -45.16 . . 0 "[ . 1 . 2]"
133 . 1 81 LEU C 1 82 ALA N 1 82 ALA CA 1 82 ALA C -88.88 -38.88 -56.65 -56.82 -57.22 . . 0 "[ . 1 . 2]"
134 . 1 82 ALA N 1 82 ALA CA 1 82 ALA C 1 83 ARG N -64.01 -14.01 -57.52 -56.87 -57.64 . . 0 "[ . 1 . 2]"
135 . 1 82 ALA C 1 83 ARG N 1 83 ARG CA 1 83 ARG C -89.31 -39.31 -51.60 -55.41 -48.28 . . 0 "[ . 1 . 2]"
136 . 1 83 ARG N 1 83 ARG CA 1 83 ARG C 1 84 GLN N -64.76 -14.76 -33.69 -42.42 -30.71 . . 0 "[ . 1 . 2]"
137 . 1 83 ARG C 1 84 GLN N 1 84 GLN CA 1 84 GLN C -91.61 -41.61 -74.66 -76.85 -70.69 . . 0 "[ . 1 . 2]"
138 . 1 84 GLN N 1 84 GLN CA 1 84 GLN C 1 85 LEU N -65.31 -15.31 -44.29 -48.77 -38.24 . . 0 "[ . 1 . 2]"
139 . 1 84 GLN C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -93.01 -43.01 -58.97 -58.39 -58.84 . . 0 "[ . 1 . 2]"
140 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 THR N -64.68 -14.68 -42.61 -41.65 -41.91 . . 0 "[ . 1 . 2]"
141 . 1 85 LEU C 1 86 THR N 1 86 THR CA 1 86 THR C -88.10 -38.10 -65.71 -69.47 -61.89 . . 0 "[ . 1 . 2]"
142 . 1 86 THR N 1 86 THR CA 1 86 THR C 1 87 LYS N -64.96 -14.96 -40.44 -40.53 -41.42 . . 0 "[ . 1 . 2]"
143 . 1 86 THR C 1 87 LYS N 1 87 LYS CA 1 87 LYS C -90.24 -40.24 -53.67 -52.21 -52.94 . . 0 "[ . 1 . 2]"
144 . 1 87 LYS N 1 87 LYS CA 1 87 LYS C 1 88 HIS N -64.46 -14.46 -60.68 -64.71 -53.45 0.25 19 0 "[ . 1 . 2]"
145 . 1 87 LYS C 1 88 HIS N 1 88 HIS CA 1 88 HIS C -89.31 -39.31 -67.71 -69.43 -70.93 . . 0 "[ . 1 . 2]"
146 . 1 88 HIS N 1 88 HIS CA 1 88 HIS C 1 89 LYS N -67.06 -17.06 -28.42 -20.92 -24.86 0.24 6 0 "[ . 1 . 2]"
147 . 1 88 HIS C 1 89 LYS N 1 89 LYS CA 1 89 LYS C -86.79 -36.79 -69.67 -81.18 -58.86 . . 0 "[ . 1 . 2]"
148 . 1 89 LYS N 1 89 LYS CA 1 89 LYS C 1 90 ASP N -65.46 -15.46 -19.26 -26.03 -14.82 0.64 17 0 "[ . 1 . 2]"
149 . 1 89 LYS C 1 90 ASP N 1 90 ASP CA 1 90 ASP C -87.07 -37.07 -75.67 -87.73 -58.83 0.66 19 0 "[ . 1 . 2]"
150 . 1 90 ASP N 1 90 ASP CA 1 90 ASP C 1 91 LYS N -64.78 -14.78 -32.64 -24.67 -26.76 . . 0 "[ . 1 . 2]"
151 . 1 90 ASP C 1 91 LYS N 1 91 LYS CA 1 91 LYS C -94.95 -44.95 -57.29 -61.99 -66.66 . . 0 "[ . 1 . 2]"
152 . 1 91 LYS N 1 91 LYS CA 1 91 LYS C 1 92 LEU N -53.96 -3.96 -37.72 -54.10 -21.69 0.14 2 0 "[ . 1 . 2]"
153 . 1 3 LEU N 1 3 LEU CA 1 3 LEU CB 1 3 LEU CG 35.00 85.00 69.70 71.28 71.14 . . 0 "[ . 1 . 2]"
154 . 1 8 ASN N 1 8 ASN CA 1 8 ASN CB 1 8 ASN CG 35.00 85.00 42.65 34.37 67.14 0.63 19 0 "[ . 1 . 2]"
155 . 1 9 ASN N 1 9 ASN CA 1 9 ASN CB 1 9 ASN CG 155.00 -155.00 -159.07 -160.92 -162.58 0.28 2 0 "[ . 1 . 2]"
156 . 1 17 ARG N 1 17 ARG CA 1 17 ARG CB 1 17 ARG CG 35.00 85.00 58.23 54.13 50.08 . . 0 "[ . 1 . 2]"
157 . 1 23 LYS N 1 23 LYS CA 1 23 LYS CB 1 23 LYS CG -85.00 -35.00 -55.21 -76.18 -44.77 . . 0 "[ . 1 . 2]"
158 . 1 27 LEU N 1 27 LEU CA 1 27 LEU CB 1 27 LEU CG -85.00 -35.00 -84.03 -87.00 -80.62 2.00 11 0 "[ . 1 . 2]"
159 . 1 30 TYR N 1 30 TYR CA 1 30 TYR CB 1 30 TYR CG 35.00 85.00 37.24 39.40 37.53 1.70 14 0 "[ . 1 . 2]"
160 . 1 31 PHE N 1 31 PHE CA 1 31 PHE CB 1 31 PHE CG -85.00 -35.00 -70.37 -87.34 -65.57 2.34 14 0 "[ . 1 . 2]"
161 . 1 35 ASN N 1 35 ASN CA 1 35 ASN CB 1 35 ASN CG 35.00 85.00 39.84 34.95 44.40 0.05 3 0 "[ . 1 . 2]"
162 . 1 38 TYR N 1 38 TYR CA 1 38 TYR CB 1 38 TYR CG 35.00 85.00 34.21 34.24 34.08 1.70 5 0 "[ . 1 . 2]"
163 . 1 41 LEU N 1 41 LEU CA 1 41 LEU CB 1 41 LEU CG 35.00 85.00 33.01 33.04 32.97 2.42 14 0 "[ . 1 . 2]"
164 . 1 42 LYS N 1 42 LYS CA 1 42 LYS CB 1 42 LYS CG 155.00 -155.00 169.89 175.84 175.68 . . 0 "[ . 1 . 2]"
165 . 1 44 GLU N 1 44 GLU CA 1 44 GLU CB 1 44 GLU CG 35.00 85.00 42.68 37.27 48.83 . . 0 "[ . 1 . 2]"
166 . 1 45 LYS N 1 45 LYS CA 1 45 LYS CB 1 45 LYS CG 155.00 -155.00 -166.23 -175.85 -154.93 0.07 17 0 "[ . 1 . 2]"
167 . 1 48 HIS N 1 48 HIS CA 1 48 HIS CB 1 48 HIS CG -85.00 -35.00 -58.36 -67.04 -52.12 . . 0 "[ . 1 . 2]"
168 . 1 51 ASP N 1 51 ASP CA 1 51 ASP CB 1 51 ASP CG 35.00 85.00 62.08 61.10 59.12 . . 0 "[ . 1 . 2]"
169 . 1 54 LEU N 1 54 LEU CA 1 54 LEU CB 1 54 LEU CG -85.00 -35.00 -78.79 -85.04 -85.13 0.21 20 0 "[ . 1 . 2]"
170 . 1 55 HIS N 1 55 HIS CA 1 55 HIS CB 1 55 HIS CG -85.00 -35.00 -84.04 -85.45 -85.52 0.88 17 0 "[ . 1 . 2]"
171 . 1 57 ASN N 1 57 ASN CA 1 57 ASN CB 1 57 ASN CG -85.00 -35.00 -74.59 -67.15 -71.67 0.24 4 0 "[ . 1 . 2]"
172 . 1 68 GLN N 1 68 GLN CA 1 68 GLN CB 1 68 GLN CG 155.00 -155.00 -174.71 -170.84 -171.81 0.06 4 0 "[ . 1 . 2]"
173 . 1 69 ASP N 1 69 ASP CA 1 69 ASP CB 1 69 ASP CG 35.00 85.00 47.98 41.43 40.16 . . 0 "[ . 1 . 2]"
174 . 1 70 MET N 1 70 MET CA 1 70 MET CB 1 70 MET CG 155.00 -155.00 -165.78 -168.73 -169.27 . . 0 "[ . 1 . 2]"
175 . 1 77 LEU N 1 77 LEU CA 1 77 LEU CB 1 77 LEU CG 155.00 -155.00 177.95 178.76 176.70 . . 0 "[ . 1 . 2]"
176 . 1 81 LEU N 1 81 LEU CA 1 81 LEU CB 1 81 LEU CG -85.00 -35.00 -85.74 -87.74 -81.87 2.74 13 0 "[ . 1 . 2]"
177 . 1 85 LEU N 1 85 LEU CA 1 85 LEU CB 1 85 LEU CG -85.00 -35.00 -86.40 -88.33 -85.54 3.33 14 0 "[ . 1 . 2]"
178 . 1 88 HIS N 1 88 HIS CA 1 88 HIS CB 1 88 HIS CG 35.00 85.00 82.90 77.41 85.87 0.87 11 0 "[ . 1 . 2]"
179 . 1 92 LEU N 1 92 LEU CA 1 92 LEU CB 1 92 LEU CG -85.00 -35.00 -62.95 -82.40 -83.63 . . 0 "[ . 1 . 2]"
180 . 1 94 GLN N 1 94 GLN CA 1 94 GLN CB 1 94 GLN CG 35.00 85.00 55.07 55.84 52.93 . . 0 "[ . 1 . 2]"
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