NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
433977 |
2jvn   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2jvn
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 227
_TA_constraint_stats_list.Viol_count 1145
_TA_constraint_stats_list.Viol_total 39306.43
_TA_constraint_stats_list.Viol_max 17.04
_TA_constraint_stats_list.Viol_rms 3.25
_TA_constraint_stats_list.Viol_average_all_restraints 1.73
_TA_constraint_stats_list.Viol_average_violations_only 3.43
_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 LYS N 1 1 LYS CA 1 1 LYS C 1 2 LEU N -57.30 26.54 -0.74 -25.06 26.54 0.00 10 0 "[ . 1]"
2 . 1 1 LYS C 1 2 LEU N 1 2 LEU CA 1 2 LEU C -103.00 -23.02 -65.74 -65.34 -65.98 . . 0 "[ . 1]"
3 . 1 2 LEU N 1 2 LEU CA 1 2 LEU C 1 3 GLU N -80.44 3.40 -32.09 -34.22 -24.19 . . 0 "[ . 1]"
4 . 1 3 GLU N 1 3 GLU CA 1 3 GLU C 1 4 LYS N -61.98 -20.06 -45.52 -45.11 -46.34 . . 0 "[ . 1]"
5 . 1 2 LEU C 1 3 GLU N 1 3 GLU CA 1 3 GLU C -85.25 -45.27 -65.89 -65.17 -65.25 . . 0 "[ . 1]"
6 . 1 3 GLU C 1 4 LYS N 1 4 LYS CA 1 4 LYS C -73.83 -53.83 -59.14 -61.40 -57.83 . . 0 "[ . 1]"
7 . 1 4 LYS N 1 4 LYS CA 1 4 LYS C 1 5 ALA N -55.37 -33.41 -38.73 -39.24 -37.75 . . 0 "[ . 1]"
8 . 1 5 ALA N 1 5 ALA CA 1 5 ALA C 1 6 LEU N -63.75 -21.83 -48.40 -47.47 -47.98 . . 0 "[ . 1]"
9 . 1 4 LYS C 1 5 ALA N 1 5 ALA CA 1 5 ALA C -82.72 -42.74 -59.96 -59.74 -59.86 . . 0 "[ . 1]"
10 . 1 5 ALA C 1 6 LEU N 1 6 LEU CA 1 6 LEU C -83.11 -43.13 -57.30 -57.42 -57.76 . . 0 "[ . 1]"
11 . 1 6 LEU N 1 6 LEU CA 1 6 LEU C 1 7 LYS N -60.12 -18.20 -42.61 -43.33 -41.46 . . 0 "[ . 1]"
12 . 1 7 LYS N 1 7 LYS CA 1 7 LYS C 1 8 ALA N -47.96 -25.36 -26.76 -27.13 -27.42 . . 0 "[ . 1]"
13 . 1 6 LEU C 1 7 LYS N 1 7 LYS CA 1 7 LYS C -77.10 -56.28 -67.41 -67.28 -67.63 . . 0 "[ . 1]"
14 . 1 7 LYS C 1 8 ALA N 1 8 ALA CA 1 8 ALA C -74.79 -54.79 -73.88 -74.41 -74.83 0.04 1 0 "[ . 1]"
15 . 1 8 ALA N 1 8 ALA CA 1 8 ALA C 1 9 GLN N -51.69 -29.73 -40.50 -38.34 -38.48 . . 0 "[ . 1]"
16 . 1 9 GLN N 1 9 GLN CA 1 9 GLN C 1 10 ASN N -51.62 -29.66 -38.79 -37.78 -38.10 . . 0 "[ . 1]"
17 . 1 8 ALA C 1 9 GLN N 1 9 GLN CA 1 9 GLN C -73.98 -53.98 -68.10 -69.67 -70.07 . . 0 "[ . 1]"
18 . 1 9 GLN C 1 10 ASN N 1 10 ASN CA 1 10 ASN C -73.75 -53.75 -65.11 -66.02 -66.48 . . 0 "[ . 1]"
19 . 1 10 ASN N 1 10 ASN CA 1 10 ASN C 1 11 ASP N -51.71 -29.75 -43.26 -52.45 -40.57 0.74 8 0 "[ . 1]"
20 . 1 11 ASP N 1 11 ASP CA 1 11 ASP C 1 12 LEU N -52.52 -30.56 -30.12 -31.44 -29.02 1.54 8 0 "[ . 1]"
21 . 1 10 ASN C 1 11 ASP N 1 11 ASP CA 1 11 ASP C -75.34 -55.34 -68.53 -68.08 -68.95 0.51 8 0 "[ . 1]"
22 . 1 11 ASP C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -74.32 -54.32 -74.22 -74.82 -74.91 0.59 1 0 "[ . 1]"
23 . 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 ILE N -51.90 -29.94 -37.20 -30.69 -35.31 . . 0 "[ . 1]"
24 . 1 12 LEU C 1 13 ILE N 1 13 ILE CA 1 13 ILE C -75.01 -55.01 -62.05 -63.81 -59.89 . . 0 "[ . 1]"
25 . 1 13 ILE N 1 13 ILE CA 1 13 ILE C 1 14 TRP N -57.57 -35.61 -49.12 -54.30 -43.15 . . 0 "[ . 1]"
26 . 1 14 TRP N 1 14 TRP CA 1 14 TRP C 1 15 ASN N -51.19 -29.23 -32.54 -35.37 -38.76 0.34 8 0 "[ . 1]"
27 . 1 13 ILE C 1 14 TRP N 1 14 TRP CA 1 14 TRP C -68.86 -48.86 -69.34 -70.11 -69.08 1.25 2 0 "[ . 1]"
28 . 1 15 ASN N 1 15 ASN CA 1 15 ASN C 1 16 ILE N -54.37 -32.41 -34.57 -36.37 -32.49 . . 0 "[ . 1]"
29 . 1 14 TRP C 1 15 ASN N 1 15 ASN CA 1 15 ASN C -73.40 -53.40 -70.38 -73.43 -65.95 0.03 8 0 "[ . 1]"
30 . 1 15 ASN C 1 16 ILE N 1 16 ILE CA 1 16 ILE C -77.65 -57.65 -67.76 -70.39 -63.28 . . 0 "[ . 1]"
31 . 1 16 ILE N 1 16 ILE CA 1 16 ILE C 1 17 LYS N -52.34 -30.38 -42.05 -43.35 -48.11 . . 0 "[ . 1]"
32 . 1 17 LYS N 1 17 LYS CA 1 17 LYS C 1 18 ASP N -52.85 -30.89 -39.91 -35.30 -36.63 . . 0 "[ . 1]"
33 . 1 16 ILE C 1 17 LYS N 1 17 LYS CA 1 17 LYS C -74.61 -54.61 -62.91 -67.30 -57.62 . . 0 "[ . 1]"
34 . 1 17 LYS C 1 18 ASP N 1 18 ASP CA 1 18 ASP C -70.67 -50.67 -62.45 -64.67 -64.93 . . 0 "[ . 1]"
35 . 1 18 ASP N 1 18 ASP CA 1 18 ASP C 1 19 GLU N -52.08 -30.12 -45.82 -46.25 -46.52 . . 0 "[ . 1]"
36 . 1 19 GLU N 1 19 GLU CA 1 19 GLU C 1 20 LEU N -52.46 -31.42 -51.51 -52.88 -53.09 0.81 4 0 "[ . 1]"
37 . 1 18 ASP C 1 19 GLU N 1 19 GLU CA 1 19 GLU C -74.91 -55.95 -55.69 -55.91 -55.46 0.49 5 0 "[ . 1]"
38 . 1 19 GLU C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -70.45 -50.45 -55.90 -56.46 -58.03 . . 0 "[ . 1]"
39 . 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 LYS N -50.57 -28.61 -41.23 -50.70 -36.45 0.13 5 0 "[ . 1]"
40 . 1 21 LYS N 1 21 LYS CA 1 21 LYS C 1 22 LYS N -55.78 -13.86 -41.94 -47.09 -36.07 . . 0 "[ . 1]"
41 . 1 20 LEU C 1 21 LYS N 1 21 LYS CA 1 21 LYS C -84.58 -44.60 -55.53 -56.08 -56.57 . . 0 "[ . 1]"
42 . 1 21 LYS C 1 22 LYS N 1 22 LYS CA 1 22 LYS C -94.68 -34.70 -62.95 -62.17 -64.39 . . 0 "[ . 1]"
43 . 1 22 LYS N 1 22 LYS CA 1 22 LYS C 1 23 VAL N -63.94 -0.06 -40.15 -38.32 -38.55 . . 0 "[ . 1]"
44 . 1 22 LYS C 1 23 VAL N 1 23 VAL CA 1 23 VAL C -114.90 -82.92 -85.98 -91.17 -82.73 0.19 6 0 "[ . 1]"
45 . 1 23 VAL N 1 23 VAL CA 1 23 VAL C 1 24 CYS N -24.04 11.84 -23.25 -24.73 -16.69 0.69 2 0 "[ . 1]"
46 . 1 23 VAL C 1 24 CYS N 1 24 CYS CA 1 24 CYS C -138.45 -108.47 -139.03 -139.45 -138.62 1.00 10 0 "[ . 1]"
47 . 1 24 CYS N 1 24 CYS CA 1 24 CYS C 1 25 SER N 131.44 165.32 130.68 130.74 130.42 1.46 9 0 "[ . 1]"
48 . 1 24 CYS C 1 25 SER N 1 25 SER CA 1 25 SER C -99.20 -73.22 -99.99 -100.32 -100.70 1.50 1 0 "[ . 1]"
49 . 1 25 SER N 1 25 SER CA 1 25 SER C 1 26 THR N 157.35 -176.73 -174.68 -174.52 -174.76 2.42 6 0 "[ . 1]"
50 . 1 26 THR N 1 26 THR CA 1 26 THR C 1 27 ASN N -48.68 -26.72 -41.60 -42.73 -40.66 . . 0 "[ . 1]"
51 . 1 25 SER C 1 26 THR N 1 26 THR CA 1 26 THR C -70.00 -50.00 -49.69 -49.22 -49.70 1.18 6 0 "[ . 1]"
52 . 1 26 THR C 1 27 ASN N 1 27 ASN CA 1 27 ASN C -71.89 -51.89 -73.25 -73.80 -72.60 1.91 8 0 "[ . 1]"
53 . 1 27 ASN N 1 27 ASN CA 1 27 ASN C 1 28 ASP N -54.15 -32.19 -44.97 -44.96 -45.53 . . 0 "[ . 1]"
54 . 1 28 ASP N 1 28 ASP CA 1 28 ASP C 1 29 LEU N -53.73 -31.77 -31.23 -31.92 -30.96 0.81 7 0 "[ . 1]"
55 . 1 27 ASN C 1 28 ASP N 1 28 ASP CA 1 28 ASP C -74.61 -54.61 -73.39 -75.42 -71.17 0.81 2 0 "[ . 1]"
56 . 1 28 ASP C 1 29 LEU N 1 29 LEU CA 1 29 LEU C -72.70 -52.70 -61.60 -66.57 -58.85 . . 0 "[ . 1]"
57 . 1 29 LEU N 1 29 LEU CA 1 29 LEU C 1 30 LYS N -50.75 -28.79 -47.87 -43.10 -48.81 0.75 7 0 "[ . 1]"
58 . 1 30 LYS N 1 30 LYS CA 1 30 LYS C 1 31 GLU N -53.37 -32.33 -32.52 -34.36 -31.81 0.52 1 0 "[ . 1]"
59 . 1 29 LEU C 1 30 LYS N 1 30 LYS CA 1 30 LYS C -71.48 -52.52 -62.42 -65.77 -58.53 . . 0 "[ . 1]"
60 . 1 30 LYS C 1 31 GLU N 1 31 GLU CA 1 31 GLU C -73.43 -53.43 -63.13 -63.64 -64.06 . . 0 "[ . 1]"
61 . 1 31 GLU N 1 31 GLU CA 1 31 GLU C 1 32 LEU N -53.68 -31.72 -45.56 -41.99 -42.42 0.15 7 0 "[ . 1]"
62 . 1 32 LEU N 1 32 LEU CA 1 32 LEU C 1 33 LEU N -52.71 -30.11 -51.51 -53.28 -45.48 0.57 2 0 "[ . 1]"
63 . 1 31 GLU C 1 32 LEU N 1 32 LEU CA 1 32 LEU C -73.82 -53.00 -59.08 -59.77 -62.32 . . 0 "[ . 1]"
64 . 1 32 LEU C 1 33 LEU N 1 33 LEU CA 1 33 LEU C -76.59 -56.59 -61.72 -63.20 -59.20 . . 0 "[ . 1]"
65 . 1 33 LEU N 1 33 LEU CA 1 33 LEU C 1 34 ILE N -53.14 -31.18 -32.30 -39.98 -30.31 0.87 1 0 "[ . 1]"
66 . 1 34 ILE N 1 34 ILE CA 1 34 ILE C 1 35 PHE N -54.25 -32.29 -39.18 -43.95 -31.96 0.33 7 0 "[ . 1]"
67 . 1 33 LEU C 1 34 ILE N 1 34 ILE CA 1 34 ILE C -71.72 -51.72 -62.91 -68.26 -71.99 0.27 1 0 "[ . 1]"
68 . 1 34 ILE C 1 35 PHE N 1 35 PHE CA 1 35 PHE C -76.94 -56.94 -64.61 -68.05 -58.38 . . 0 "[ . 1]"
69 . 1 35 PHE N 1 35 PHE CA 1 35 PHE C 1 36 ASN N -47.38 -25.42 -33.41 -42.49 -27.28 . . 0 "[ . 1]"
70 . 1 35 PHE C 1 36 ASN N 1 36 ASN CA 1 36 ASN C -109.36 -79.38 -79.15 -80.49 -78.74 0.64 3 0 "[ . 1]"
71 . 1 36 ASN N 1 36 ASN CA 1 36 ASN C 1 37 LYS N -13.32 16.60 -2.18 -8.47 3.05 . . 0 "[ . 1]"
72 . 1 36 ASN C 1 37 LYS N 1 37 LYS CA 1 37 LYS C 73.39 99.37 75.72 73.02 78.55 0.37 6 0 "[ . 1]"
73 . 1 37 LYS N 1 37 LYS CA 1 37 LYS C 1 38 GLN N -13.88 16.00 17.83 17.91 17.84 2.10 9 0 "[ . 1]"
74 . 1 37 LYS C 1 38 GLN N 1 38 GLN CA 1 38 GLN C -143.92 -107.94 -113.37 -112.99 -114.41 . . 0 "[ . 1]"
75 . 1 38 GLN N 1 38 GLN CA 1 38 GLN C 1 39 GLN N 131.16 163.08 128.24 126.95 129.74 4.21 8 0 "[ . 1]"
76 . 1 38 GLN C 1 39 GLN N 1 39 GLN CA 1 39 GLN C -127.66 -91.68 -131.01 -132.41 -129.63 4.75 8 0 "[ . 1]"
77 . 1 39 GLN N 1 39 GLN CA 1 39 GLN C 1 40 VAL N 102.23 138.11 100.01 99.52 100.89 2.71 6 0 "[ . 1]"
78 . 1 40 VAL N 1 40 VAL CA 1 40 VAL C 1 41 PRO N 146.39 177.59 146.39 150.47 147.20 1.29 9 0 "[ . 1]"
79 . 1 39 GLN C 1 40 VAL N 1 40 VAL CA 1 40 VAL C -119.21 -87.55 -122.06 -122.50 -121.68 3.29 2 0 "[ . 1]"
80 . 1 41 PRO C 1 42 SER N 1 42 SER CA 1 42 SER C -104.98 -72.34 -78.41 -77.79 -78.53 . . 0 "[ . 1]"
81 . 1 42 SER N 1 42 SER CA 1 42 SER C 1 43 GLY N -14.63 19.05 27.43 26.26 28.21 9.16 7 10 [**-***+***]
82 . 1 42 SER C 1 43 GLY N 1 43 GLY CA 1 43 GLY C -117.18 -81.92 -78.26 -79.82 -77.27 4.65 9 0 "[ . 1]"
83 . 1 43 GLY N 1 43 GLY CA 1 43 GLY C 1 44 GLU N -159.50 -124.28 -107.76 -108.01 -108.45 17.04 2 10 [-+********]
84 . 1 43 GLY C 1 44 GLU N 1 44 GLU CA 1 44 GLU C -64.96 -44.96 -29.90 -29.83 -30.28 16.35 2 10 [-+********]
85 . 1 44 GLU N 1 44 GLU CA 1 44 GLU C 1 45 SER N -53.63 -31.67 -41.76 -45.07 -39.09 . . 0 "[ . 1]"
86 . 1 45 SER N 1 45 SER CA 1 45 SER C 1 46 ALA N -52.18 -30.22 -33.23 -34.99 -32.12 . . 0 "[ . 1]"
87 . 1 44 GLU C 1 45 SER N 1 45 SER CA 1 45 SER C -71.01 -51.01 -70.83 -71.73 -69.59 0.72 8 0 "[ . 1]"
88 . 1 45 SER C 1 46 ALA N 1 46 ALA CA 1 46 ALA C -78.48 -58.48 -80.61 -80.12 -80.47 2.81 7 0 "[ . 1]"
89 . 1 46 ALA N 1 46 ALA CA 1 46 ALA C 1 47 ILE N -42.48 -20.52 -20.21 -19.93 -20.14 0.64 2 0 "[ . 1]"
90 . 1 47 ILE N 1 47 ILE CA 1 47 ILE C 1 48 LEU N -58.50 -36.54 -44.92 -51.41 -39.67 . . 0 "[ . 1]"
91 . 1 46 ALA C 1 47 ILE N 1 47 ILE CA 1 47 ILE C -75.38 -55.38 -67.29 -66.52 -67.64 . . 0 "[ . 1]"
92 . 1 47 ILE C 1 48 LEU N 1 48 LEU CA 1 48 LEU C -70.38 -50.38 -69.40 -66.86 -70.20 0.91 7 0 "[ . 1]"
93 . 1 48 LEU N 1 48 LEU CA 1 48 LEU C 1 49 ASP N -44.80 -22.84 -43.66 -44.54 -45.31 0.62 4 0 "[ . 1]"
94 . 1 49 ASP N 1 49 ASP CA 1 49 ASP C 1 50 ARG N -55.07 -33.11 -58.69 -57.72 -58.67 4.93 9 0 "[ . 1]"
95 . 1 48 LEU C 1 49 ASP N 1 49 ASP CA 1 49 ASP C -73.87 -53.87 -61.59 -54.93 -62.92 0.14 2 0 "[ . 1]"
96 . 1 49 ASP C 1 50 ARG N 1 50 ARG CA 1 50 ARG C -73.77 -53.77 -65.78 -62.38 -66.00 . . 0 "[ . 1]"
97 . 1 50 ARG N 1 50 ARG CA 1 50 ARG C 1 51 VAL N -49.02 -27.06 -26.46 -28.51 -25.55 1.51 10 0 "[ . 1]"
98 . 1 50 ARG C 1 51 VAL N 1 51 VAL CA 1 51 VAL C -76.11 -56.11 -71.70 -72.07 -72.58 . . 0 "[ . 1]"
99 . 1 51 VAL N 1 51 VAL CA 1 51 VAL C 1 52 ALA N -56.62 -34.66 -56.03 -57.66 -48.50 1.04 6 0 "[ . 1]"
100 . 1 51 VAL C 1 52 ALA N 1 52 ALA CA 1 52 ALA C -68.28 -48.28 -48.18 -53.32 -46.79 1.49 8 0 "[ . 1]"
101 . 1 52 ALA N 1 52 ALA CA 1 52 ALA C 1 53 ASP N -54.67 -32.71 -40.02 -41.86 -38.45 . . 0 "[ . 1]"
102 . 1 52 ALA C 1 53 ASP N 1 53 ASP CA 1 53 ASP C -74.47 -54.47 -60.55 -61.78 -63.71 . . 0 "[ . 1]"
103 . 1 53 ASP N 1 53 ASP CA 1 53 ASP C 1 54 GLY N -50.42 -28.46 -45.67 -51.58 -39.49 1.16 7 0 "[ . 1]"
104 . 1 53 ASP C 1 54 GLY N 1 54 GLY CA 1 54 GLY C -71.10 -49.90 -69.19 -71.39 -64.03 0.29 6 0 "[ . 1]"
105 . 1 54 GLY N 1 54 GLY CA 1 54 GLY C 1 55 MET N -54.31 -31.91 -29.66 -30.28 -30.70 3.94 7 0 "[ . 1]"
106 . 1 54 GLY C 1 55 MET N 1 55 MET CA 1 55 MET C -72.02 -52.02 -69.87 -69.72 -72.65 1.67 9 0 "[ . 1]"
107 . 1 55 MET N 1 55 MET CA 1 55 MET C 1 56 VAL N -52.14 -30.18 -47.31 -50.22 -44.21 . . 0 "[ . 1]"
108 . 1 55 MET C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -68.18 -48.18 -71.68 -72.55 -70.53 4.37 8 0 "[ . 1]"
109 . 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 PHE N -50.75 -28.79 -61.01 -59.02 -60.08 12.46 7 10 [***-**+***]
110 . 1 56 VAL C 1 57 PHE N 1 57 PHE CA 1 57 PHE C -70.26 -50.26 -80.12 -77.44 -78.79 13.22 7 10 [*-****+***]
111 . 1 57 PHE N 1 57 PHE CA 1 57 PHE C 1 58 GLY N -51.62 -29.66 -27.18 -27.76 -28.84 3.97 9 0 "[ . 1]"
112 . 1 57 PHE C 1 58 GLY N 1 58 GLY CA 1 58 GLY C 179.41 -137.01 -166.65 177.45 175.63 5.34 4 1 "[ +. 1]"
113 . 1 58 GLY N 1 58 GLY CA 1 58 GLY C 1 59 ALA N -7.61 37.55 49.04 44.42 51.79 14.24 5 10 [****+****-]
114 . 1 59 ALA N 1 59 ALA CA 1 59 ALA C 1 60 LEU N 98.60 142.48 147.25 145.53 150.03 7.55 1 3 "[+ *- 1]"
115 . 1 58 GLY C 1 59 ALA N 1 59 ALA CA 1 59 ALA C -142.62 -102.64 -92.78 -91.20 -92.79 12.04 9 10 [********+-]
116 . 1 59 ALA C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -128.01 -88.03 -81.88 -86.20 -77.47 10.56 1 6 "[+* **- *1]"
117 . 1 60 LEU N 1 60 LEU CA 1 60 LEU C 1 61 LEU N 98.99 142.87 127.04 118.71 132.28 . . 0 "[ . 1]"
118 . 1 60 LEU C 1 61 LEU N 1 61 LEU CA 1 61 LEU C -116.77 -54.29 -118.84 -119.78 -117.82 3.01 7 0 "[ . 1]"
119 . 1 61 LEU N 1 61 LEU CA 1 61 LEU C 1 62 PRO N 128.19 -166.07 169.48 -175.81 174.46 . . 0 "[ . 1]"
120 . 1 61 LEU C 1 62 PRO N 1 62 PRO CA 1 62 PRO C -77.43 -46.95 -45.31 -46.21 -44.12 2.83 4 0 "[ . 1]"
121 . 1 62 PRO N 1 62 PRO CA 1 62 PRO C 1 63 CYS N 133.29 163.23 153.06 145.48 160.50 . . 0 "[ . 1]"
122 . 1 63 CYS C 1 64 GLU N 1 64 GLU CA 1 64 GLU C 60.16 80.16 57.43 57.49 57.23 3.78 9 0 "[ . 1]"
123 . 1 64 GLU N 1 64 GLU CA 1 64 GLU C 1 65 GLU N 39.55 61.51 25.08 25.61 25.36 16.60 10 10 [******-**+]
124 . 1 64 GLU C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -69.80 -47.32 -83.22 -83.34 -83.37 13.88 5 10 [****+*-***]
125 . 1 65 GLU N 1 65 GLU CA 1 65 GLU C 1 66 CYS N -54.24 -28.50 -40.59 -42.23 -38.93 . . 0 "[ . 1]"
126 . 1 67 SER N 1 67 SER CA 1 67 SER C 1 68 GLY N 48.24 69.28 53.32 46.96 56.29 1.28 9 0 "[ . 1]"
127 . 1 66 CYS C 1 67 SER N 1 67 SER CA 1 67 SER C 32.69 51.65 54.24 52.69 56.47 4.82 9 0 "[ . 1]"
128 . 1 67 SER C 1 68 GLY N 1 68 GLY CA 1 68 GLY C -159.04 -114.70 -126.58 -127.52 -128.08 . . 0 "[ . 1]"
129 . 1 68 GLY N 1 68 GLY CA 1 68 GLY C 1 69 GLN N 134.14 -178.68 -174.48 -175.25 -174.17 4.51 5 0 "[ . 1]"
130 . 1 68 GLY C 1 69 GLN N 1 69 GLN CA 1 69 GLN C -136.32 -100.38 -124.16 -122.05 -124.06 . . 0 "[ . 1]"
131 . 1 69 GLN N 1 69 GLN CA 1 69 GLN C 1 70 LEU N 128.66 150.76 134.59 128.23 137.88 0.43 5 0 "[ . 1]"
132 . 1 69 GLN O 1 70 LEU N 1 70 LEU CA 1 70 LEU O -120.00 -80.00 -114.66 -120.99 -110.08 0.99 5 0 "[ . 1]"
133 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 VAL N 120.00 160.00 120.37 119.27 119.10 1.46 3 0 "[ . 1]"
134 . 1 70 LEU O 1 71 VAL N 1 71 VAL CA 1 71 VAL O -140.00 -100.00 -139.75 -140.53 -140.88 1.69 10 0 "[ . 1]"
135 . 1 71 VAL N 1 71 VAL CA 1 71 VAL C 1 72 PHE N 130.00 170.00 125.66 125.62 125.27 4.94 7 0 "[ . 1]"
136 . 1 71 VAL O 1 72 PHE N 1 72 PHE CA 1 72 PHE O -140.00 -100.00 -133.92 -131.61 -134.63 0.34 5 0 "[ . 1]"
137 . 1 72 PHE N 1 72 PHE CA 1 72 PHE C 1 73 LYS N 130.00 170.00 168.17 171.45 171.09 2.28 2 0 "[ . 1]"
138 . 1 72 PHE O 1 73 LYS N 1 73 LYS CA 1 73 LYS O -140.00 -100.00 -137.55 -140.10 -140.86 1.36 1 0 "[ . 1]"
139 . 1 73 LYS N 1 73 LYS CA 1 73 LYS C 1 74 SER N 130.00 170.00 169.83 170.45 170.45 1.01 9 0 "[ . 1]"
140 . 1 73 LYS O 1 74 SER N 1 74 SER CA 1 74 SER O -140.00 -100.00 -92.72 -93.61 -92.11 7.89 3 10 [*-+*******]
141 . 1 74 SER N 1 74 SER CA 1 74 SER C 1 75 ASP N 130.00 170.00 125.82 125.89 125.80 4.87 6 0 "[ . 1]"
142 . 1 74 SER C 1 75 ASP N 1 75 ASP CA 1 75 ASP C 48.45 72.43 70.77 66.81 73.67 1.24 7 0 "[ . 1]"
143 . 1 75 ASP N 1 75 ASP CA 1 75 ASP C 1 76 ALA N 28.81 52.69 21.06 21.46 21.16 8.67 7 10 [******+*-*]
144 . 1 75 ASP C 1 76 ALA N 1 76 ALA CA 1 76 ALA C -161.09 -79.11 -170.59 -171.81 -169.65 10.72 4 10 [***+***-**]
145 . 1 76 ALA N 1 76 ALA CA 1 76 ALA C 1 77 TYR N 110.00 -170.00 106.24 105.86 105.82 4.18 1 0 "[ . 1]"
146 . 1 76 ALA O 1 77 TYR N 1 77 TYR CA 1 77 TYR O -140.00 -100.00 -128.86 -129.62 -131.38 . . 0 "[ . 1]"
147 . 1 77 TYR N 1 77 TYR CA 1 77 TYR C 1 78 TYR N 130.00 170.00 128.39 128.81 128.55 2.07 4 0 "[ . 1]"
148 . 1 77 TYR O 1 78 TYR N 1 78 TYR CA 1 78 TYR O -140.00 -100.00 -141.57 -141.38 -141.73 3.39 4 0 "[ . 1]"
149 . 1 78 TYR N 1 78 TYR CA 1 78 TYR C 1 79 CYS N 130.00 170.00 127.20 126.66 127.60 3.34 9 0 "[ . 1]"
150 . 1 78 TYR O 1 79 CYS N 1 79 CYS CA 1 79 CYS O -140.00 -100.00 -124.55 -129.52 -120.68 . . 0 "[ . 1]"
151 . 1 79 CYS N 1 79 CYS CA 1 79 CYS C 1 80 THR N 130.00 170.00 127.63 127.79 127.59 3.11 9 0 "[ . 1]"
152 . 1 79 CYS O 1 80 THR N 1 80 THR CA 1 80 THR O -140.00 -100.00 -145.41 -145.88 -146.38 6.42 5 8 "[***-+*** 1]"
153 . 1 80 THR N 1 80 THR CA 1 80 THR C 1 81 GLY N 130.00 170.00 123.28 123.25 123.04 7.25 7 10 [*****-+***]
154 . 1 80 THR O 1 81 GLY N 1 81 GLY CA 1 81 GLY O -140.00 -100.00 -145.52 -146.30 -146.68 6.68 1 7 "[+**-** * 1]"
155 . 1 81 GLY N 1 81 GLY CA 1 81 GLY C 1 82 ASP N 130.00 170.00 168.45 166.37 165.84 5.11 9 1 "[ . +1]"
156 . 1 81 GLY O 1 82 ASP N 1 82 ASP CA 1 82 ASP O -140.00 -100.00 -127.11 -125.70 -126.96 . . 0 "[ . 1]"
157 . 1 82 ASP N 1 82 ASP CA 1 82 ASP C 1 83 VAL N 130.00 170.00 127.46 127.50 127.40 3.06 9 0 "[ . 1]"
158 . 1 82 ASP O 1 83 VAL N 1 83 VAL CA 1 83 VAL O -140.00 -100.00 -111.46 -110.63 -112.15 . . 0 "[ . 1]"
159 . 1 83 VAL C 1 84 THR N 1 84 THR CA 1 84 THR C -146.26 -106.28 -147.47 -147.48 -147.56 1.85 9 0 "[ . 1]"
160 . 1 84 THR N 1 84 THR CA 1 84 THR C 1 85 ALA N 126.41 170.29 168.00 158.78 154.70 1.05 9 0 "[ . 1]"
161 . 1 87 THR N 1 87 THR CA 1 87 THR C 1 88 LYS N 130.00 170.00 131.65 133.12 132.65 2.47 9 0 "[ . 1]"
162 . 1 87 THR O 1 88 LYS N 1 88 LYS CA 1 88 LYS O -140.00 -100.00 -136.43 -140.43 -140.53 0.86 7 0 "[ . 1]"
163 . 1 88 LYS N 1 88 LYS CA 1 88 LYS C 1 89 CYS N 130.00 170.00 166.54 135.90 170.36 0.36 3 0 "[ . 1]"
164 . 1 88 LYS O 1 89 CYS N 1 89 CYS CA 1 89 CYS O -140.00 -100.00 -139.68 -141.09 -141.22 1.34 1 0 "[ . 1]"
165 . 1 89 CYS N 1 89 CYS CA 1 89 CYS C 1 90 MET N 130.00 170.00 128.60 129.40 128.86 4.75 9 0 "[ . 1]"
166 . 1 89 CYS O 1 90 MET N 1 90 MET CA 1 90 MET O -140.00 -100.00 -144.11 -143.42 -144.12 8.21 9 2 "[ . +-]"
167 . 1 90 MET N 1 90 MET CA 1 90 MET C 1 91 VAL N 130.00 170.00 126.16 126.97 126.81 5.97 7 3 "[ . + *-]"
168 . 1 90 MET O 1 91 VAL N 1 91 VAL CA 1 91 VAL O -140.00 -100.00 -142.60 -142.37 -142.61 3.29 9 0 "[ . 1]"
169 . 1 91 VAL N 1 91 VAL CA 1 91 VAL C 1 92 LYS N 130.00 170.00 127.13 126.35 128.06 3.65 4 0 "[ . 1]"
170 . 1 91 VAL O 1 92 LYS N 1 92 LYS CA 1 92 LYS O -140.00 -100.00 -131.83 -134.25 -129.03 . . 0 "[ . 1]"
171 . 1 94 GLN C 1 95 THR N 1 95 THR CA 1 95 THR C -129.73 -89.89 -88.80 -88.95 -89.03 3.48 4 0 "[ . 1]"
172 . 1 95 THR N 1 95 THR CA 1 95 THR C 1 96 PRO N 136.40 -179.54 134.85 134.14 133.71 2.69 1 0 "[ . 1]"
173 . 1 95 THR C 1 96 PRO N 1 96 PRO CA 1 96 PRO C -85.28 -42.60 -71.92 -82.09 -57.08 . . 0 "[ . 1]"
174 . 1 96 PRO N 1 96 PRO CA 1 96 PRO C 1 97 ASN N 116.92 170.34 171.66 170.62 172.59 2.25 1 0 "[ . 1]"
175 . 1 96 PRO O 1 97 ASN N 1 97 ASN CA 1 97 ASN O -150.00 -90.00 -86.35 -86.78 -85.51 4.49 5 0 "[ . 1]"
176 . 1 97 ASN N 1 97 ASN CA 1 97 ASN C 1 98 ARG N 120.00 180.00 116.61 116.52 115.38 4.80 4 0 "[ . 1]"
177 . 1 97 ASN O 1 98 ARG N 1 98 ARG CA 1 98 ARG O -140.00 -100.00 -101.16 -99.88 -100.82 0.70 2 0 "[ . 1]"
178 . 1 98 ARG N 1 98 ARG CA 1 98 ARG C 1 99 LYS N 130.00 170.00 121.26 120.39 123.44 9.61 4 10 [***+**-***]
179 . 1 98 ARG O 1 99 LYS N 1 99 LYS CA 1 99 LYS O -140.00 -100.00 -150.15 -150.96 -148.55 10.96 3 10 [**+***-***]
180 . 1 99 LYS N 1 99 LYS CA 1 99 LYS C 1 100 GLU N 130.00 170.00 -176.08 -176.93 -177.60 15.72 10 10 [-********+]
181 . 1 99 LYS O 1 100 GLU N 1 100 GLU CA 1 100 GLU O -140.00 -100.00 -95.62 -96.39 -93.99 6.01 10 1 "[ . +]"
182 . 1 100 GLU N 1 100 GLU CA 1 100 GLU C 1 101 TRP N 130.00 170.00 131.61 137.02 133.15 0.72 7 0 "[ . 1]"
183 . 1 100 GLU O 1 101 TRP N 1 101 TRP CA 1 101 TRP O -140.00 -100.00 -91.06 -90.10 -90.54 10.10 2 10 [*+-*******]
184 . 1 101 TRP N 1 101 TRP CA 1 101 TRP C 1 102 VAL N 130.00 170.00 -177.67 -179.17 -174.39 15.61 3 10 [**+***-***]
185 . 1 101 TRP C 1 102 VAL N 1 102 VAL CA 1 102 VAL C -133.59 -101.61 -89.32 -90.58 -87.91 13.70 3 10 [**+*****-*]
186 . 1 102 VAL N 1 102 VAL CA 1 102 VAL C 1 103 THR N 121.31 151.23 119.14 118.14 120.04 3.17 3 0 "[ . 1]"
187 . 1 103 THR N 1 103 THR CA 1 103 THR C 1 104 PRO N 93.56 138.76 140.78 139.72 142.87 4.11 7 0 "[ . 1]"
188 . 1 102 VAL C 1 103 THR N 1 103 THR CA 1 103 THR C -130.41 -88.75 -132.35 -133.54 -130.86 3.13 7 0 "[ . 1]"
189 . 1 103 THR C 1 104 PRO N 1 104 PRO CA 1 104 PRO C -90.34 -32.84 -42.14 -47.17 -51.94 . . 0 "[ . 1]"
190 . 1 104 PRO N 1 104 PRO CA 1 104 PRO C 1 105 LYS N 109.56 -177.70 177.16 -178.23 -179.48 0.81 10 0 "[ . 1]"
191 . 1 104 PRO C 1 105 LYS N 1 105 LYS CA 1 105 LYS C -75.99 -44.01 -45.95 -43.87 -44.50 1.10 10 0 "[ . 1]"
192 . 1 105 LYS N 1 105 LYS CA 1 105 LYS C 1 106 GLU N -63.11 -29.19 -61.83 -64.78 -49.34 1.67 8 0 "[ . 1]"
193 . 1 105 LYS C 1 106 GLU N 1 106 GLU CA 1 106 GLU C -80.73 -40.75 -70.40 -81.89 -46.17 1.16 3 0 "[ . 1]"
194 . 1 106 GLU N 1 106 GLU CA 1 106 GLU C 1 107 PHE N -61.50 -17.66 -32.97 -35.49 -48.36 0.86 5 0 "[ . 1]"
195 . 1 106 GLU C 1 107 PHE N 1 107 PHE CA 1 107 PHE C -90.95 -50.97 -67.14 -88.01 -50.59 0.38 3 0 "[ . 1]"
196 . 1 107 PHE N 1 107 PHE CA 1 107 PHE C 1 108 ARG N -62.18 -18.36 -23.07 -20.59 -23.87 1.22 7 0 "[ . 1]"
197 . 1 107 PHE C 1 108 ARG N 1 108 ARG CA 1 108 ARG C -80.37 -40.39 -60.67 -81.04 -38.39 2.00 7 0 "[ . 1]"
198 . 1 108 ARG N 1 108 ARG CA 1 108 ARG C 1 109 GLU N -60.13 -16.31 -29.16 -23.25 -26.35 0.00 4 0 "[ . 1]"
199 . 1 108 ARG C 1 109 GLU N 1 109 GLU CA 1 109 GLU C -88.38 -28.40 -57.50 -64.43 -44.97 . . 0 "[ . 1]"
200 . 1 109 GLU N 1 109 GLU CA 1 109 GLU C 1 110 ILE N -72.37 -8.55 -22.13 -8.32 -13.23 1.33 3 0 "[ . 1]"
201 . 1 109 GLU C 1 110 ILE N 1 110 ILE CA 1 110 ILE C -155.13 -75.15 -75.35 -74.44 -74.64 1.56 6 0 "[ . 1]"
202 . 1 110 ILE N 1 110 ILE CA 1 110 ILE C 1 111 SER N 109.83 -166.33 139.96 109.30 109.22 0.65 1 0 "[ . 1]"
203 . 1 111 SER C 1 112 TYR N 1 112 TYR CA 1 112 TYR C -81.61 -41.61 -75.57 -69.82 -76.62 0.81 7 0 "[ . 1]"
204 . 1 112 TYR N 1 112 TYR CA 1 112 TYR C 1 113 LEU N -73.15 -33.15 -33.93 -30.85 -31.08 3.21 4 0 "[ . 1]"
205 . 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 LYS N -67.68 -43.80 -48.09 -54.87 -67.95 2.15 9 0 "[ . 1]"
206 . 1 112 TYR C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -67.82 -45.84 -45.64 -44.44 -44.60 2.18 4 0 "[ . 1]"
207 . 1 113 LEU C 1 114 LYS N 1 114 LYS CA 1 114 LYS C -68.78 -46.80 -55.02 -69.52 -46.04 0.76 9 0 "[ . 1]"
208 . 1 114 LYS N 1 114 LYS CA 1 114 LYS C 1 115 LYS N -63.92 -40.08 -60.37 -47.85 -62.91 1.82 9 0 "[ . 1]"
209 . 1 114 LYS C 1 115 LYS N 1 115 LYS CA 1 115 LYS C -60.44 -40.44 -50.03 -63.16 -39.26 2.72 2 0 "[ . 1]"
210 . 1 115 LYS N 1 115 LYS CA 1 115 LYS C 1 116 LEU N -60.00 -40.00 -37.86 -37.96 -38.51 3.09 7 0 "[ . 1]"
211 . 1 115 LYS C 1 116 LEU N 1 116 LEU CA 1 116 LEU C -60.44 -40.44 -61.51 -61.80 -62.17 2.61 9 0 "[ . 1]"
212 . 1 116 LEU C 1 117 LYS N 1 117 LYS CA 1 117 LYS C -132.14 -72.16 -135.44 -139.26 -127.65 7.12 2 2 "[ + -. 1]"
213 . 1 117 LYS N 1 117 LYS CA 1 117 LYS C 1 118 VAL N 84.98 148.80 87.96 90.33 90.23 4.32 3 0 "[ . 1]"
214 . 1 117 LYS C 1 118 VAL N 1 118 VAL CA 1 118 VAL C -154.51 -54.53 -122.78 -157.24 -93.75 2.73 3 0 "[ . 1]"
215 . 1 118 VAL N 1 118 VAL CA 1 118 VAL C 1 119 LYS N 93.42 -162.76 90.32 89.70 89.07 7.02 5 3 "[ + *- 1]"
216 . 1 118 VAL C 1 119 LYS N 1 119 LYS CA 1 119 LYS C -104.13 -64.15 -94.15 -101.61 -104.76 4.08 3 0 "[ . 1]"
217 . 1 119 LYS N 1 119 LYS CA 1 119 LYS C 1 120 LYS N 120.86 164.70 138.82 119.11 165.91 1.75 5 0 "[ . 1]"
218 . 1 119 LYS C 1 120 LYS N 1 120 LYS CA 1 120 LYS C -110.38 -50.70 -61.82 -50.39 -80.06 4.11 3 0 "[ . 1]"
219 . 1 120 LYS N 1 120 LYS CA 1 120 LYS C 1 121 GLN N 102.64 166.74 93.73 94.22 93.88 10.56 10 10 [**-******+]
220 . 1 120 LYS C 1 121 GLN N 1 121 GLN CA 1 121 GLN C -145.75 -94.07 -95.05 -102.21 -88.93 5.14 3 1 "[ + . 1]"
221 . 1 121 GLN N 1 121 GLN CA 1 121 GLN C 1 122 ASP N 127.09 177.19 176.69 178.90 178.77 1.78 2 0 "[ . 1]"
222 . 1 121 GLN C 1 122 ASP N 1 122 ASP CA 1 122 ASP C -120.97 -60.99 -100.06 -119.73 -60.97 0.02 3 0 "[ . 1]"
223 . 1 122 ASP N 1 122 ASP CA 1 122 ASP C 1 123 ARG N 97.59 161.43 144.10 148.10 141.14 0.36 10 0 "[ . 1]"
224 . 1 122 ASP C 1 123 ARG N 1 123 ARG CA 1 123 ARG C -153.85 -73.87 -93.90 -92.18 -101.02 1.78 3 0 "[ . 1]"
225 . 1 123 ARG N 1 123 ARG CA 1 123 ARG C 1 124 ILE N 98.78 -177.38 -179.32 161.94 -175.03 2.35 5 0 "[ . 1]"
226 . 1 124 ILE C 1 125 PHE N 1 125 PHE CA 1 125 PHE C -138.52 -96.04 -121.31 -140.12 -95.63 1.60 4 0 "[ . 1]"
227 . 1 125 PHE N 1 125 PHE CA 1 125 PHE C 1 126 PRO N 101.84 147.58 125.98 127.15 109.59 0.40 8 0 "[ . 1]"
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