NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
598669 |
2n93   |
25400 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2n93
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 232
_TA_constraint_stats_list.Viol_count 729
_TA_constraint_stats_list.Viol_total 84966.07
_TA_constraint_stats_list.Viol_max 59.14
_TA_constraint_stats_list.Viol_rms 8.03
_TA_constraint_stats_list.Viol_average_all_restraints 3.66
_TA_constraint_stats_list.Viol_average_violations_only 11.66
_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 MET C 1 2 VAL N 1 2 VAL CA 1 2 VAL C -147.90 -61.30 -91.20 -161.15 -39.95 21.35 1 5 "[+ *.- * *]"
2 . 1 2 VAL N 1 2 VAL CA 1 2 VAL C 1 3 GLN N 105.30 171.70 145.49 148.96 145.08 . . 0 "[ . 1]"
3 . 1 2 VAL C 1 3 GLN N 1 3 GLN CA 1 3 GLN C -130.20 -56.00 -136.00 -147.92 -125.85 17.72 9 5 "[ *- .** +1]"
4 . 1 3 GLN N 1 3 GLN CA 1 3 GLN C 1 4 LEU N 66.90 148.90 106.13 86.32 121.95 . . 0 "[ . 1]"
5 . 1 3 GLN C 1 4 LEU N 1 4 LEU CA 1 4 LEU C -85.20 -45.20 -94.85 -88.07 -94.62 36.30 10 6 "[* * * -* +]"
6 . 1 4 LEU N 1 4 LEU CA 1 4 LEU C 1 5 ALA N -41.80 -1.80 -49.19 -74.24 -34.77 32.44 4 6 "[ -*+** * 1]"
7 . 1 4 LEU C 1 5 ALA N 1 5 ALA CA 1 5 ALA C -128.50 -52.50 -134.33 -141.17 -147.87 21.54 1 6 "[+* ** -*1]"
8 . 1 5 ALA N 1 5 ALA CA 1 5 ALA C 1 6 GLY N -65.40 40.60 -62.39 -93.58 -26.44 28.18 3 4 "[ +*.* -]"
9 . 1 6 GLY C 1 7 THR N 1 7 THR CA 1 7 THR C -155.20 -53.80 -138.67 -160.62 -112.85 5.42 9 1 "[ . +1]"
10 . 1 7 THR N 1 7 THR CA 1 7 THR C 1 8 TYR N 108.50 148.50 143.53 144.31 141.55 13.12 4 1 "[ +. 1]"
11 . 1 7 THR C 1 8 TYR N 1 8 TYR CA 1 8 TYR C -147.00 -103.40 -125.58 -133.32 -106.28 . . 0 "[ . 1]"
12 . 1 8 TYR N 1 8 TYR CA 1 8 TYR C 1 9 LYS N 126.70 172.10 134.77 136.93 130.84 6.12 4 2 "[- +. 1]"
13 . 1 8 TYR C 1 9 LYS N 1 9 LYS CA 1 9 LYS C -159.90 -97.90 -105.68 -141.14 -87.84 10.06 4 3 "[- *+. 1]"
14 . 1 9 LYS N 1 9 LYS CA 1 9 LYS C 1 10 LEU N 112.80 154.00 170.69 162.60 157.06 28.93 5 8 "[ -**+* ***]"
15 . 1 9 LYS C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -98.10 -55.70 -65.62 -62.83 -67.74 4.22 8 0 "[ . 1]"
16 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 GLU N 102.90 142.90 130.59 128.79 121.93 5.30 6 1 "[ .+ 1]"
17 . 1 10 LEU C 1 11 GLU N 1 11 GLU CA 1 11 GLU C -112.00 -69.00 -110.24 -112.43 -114.07 14.98 6 1 "[ .+ 1]"
18 . 1 11 GLU N 1 11 GLU CA 1 11 GLU C 1 12 LYS N -76.00 -1.60 -55.05 -71.13 -32.81 . . 0 "[ . 1]"
19 . 1 11 GLU C 1 12 LYS N 1 12 LYS CA 1 12 LYS C 162.40 -109.60 -136.43 -136.62 -139.40 . . 0 "[ . 1]"
20 . 1 12 LYS N 1 12 LYS CA 1 12 LYS C 1 13 ASN N 129.00 179.40 154.04 148.68 107.81 21.19 1 1 "[+ . 1]"
21 . 1 12 LYS C 1 13 ASN N 1 13 ASN CA 1 13 ASN C -157.70 -93.50 -134.15 -150.90 -100.53 . . 0 "[ . 1]"
22 . 1 13 ASN N 1 13 ASN CA 1 13 ASN C 1 14 GLU N 102.20 154.80 138.03 127.65 147.26 . . 0 "[ . 1]"
23 . 1 13 ASN C 1 14 GLU N 1 14 GLU CA 1 14 GLU C -176.70 -75.70 -137.78 -120.78 -127.77 . . 0 "[ . 1]"
24 . 1 14 GLU N 1 14 GLU CA 1 14 GLU C 1 15 ASN N 106.20 161.80 156.15 170.69 162.79 8.89 2 1 "[ + . 1]"
25 . 1 15 ASN C 1 16 PHE N 1 16 PHE CA 1 16 PHE C -117.70 -29.50 -47.11 -41.63 -44.85 . . 0 "[ . 1]"
26 . 1 16 PHE N 1 16 PHE CA 1 16 PHE C 1 17 GLU N -71.30 3.70 -38.50 -53.94 -23.17 . . 0 "[ . 1]"
27 . 1 16 PHE C 1 17 GLU N 1 17 GLU CA 1 17 GLU C -83.80 -43.80 -61.12 -70.78 -49.61 . . 0 "[ . 1]"
28 . 1 17 GLU N 1 17 GLU CA 1 17 GLU C 1 18 GLU N -60.30 -20.30 -34.40 -10.18 -23.35 10.12 2 1 "[ + . 1]"
29 . 1 17 GLU C 1 18 GLU N 1 18 GLU CA 1 18 GLU C -88.40 -48.40 -70.41 -86.97 -55.09 . . 0 "[ . 1]"
30 . 1 18 GLU N 1 18 GLU CA 1 18 GLU C 1 19 TYR N -55.30 -14.90 -46.05 -63.01 -21.93 7.71 7 1 "[ . + 1]"
31 . 1 18 GLU C 1 19 TYR N 1 19 TYR CA 1 19 TYR C -88.30 -47.10 -69.55 -84.56 -62.25 . . 0 "[ . 1]"
32 . 1 19 TYR N 1 19 TYR CA 1 19 TYR C 1 20 LEU N -63.00 -20.60 -50.05 9.89 -46.93 30.49 2 2 "[ +- . 1]"
33 . 1 19 TYR C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -84.50 -44.50 -56.97 -73.06 -49.30 . . 0 "[ . 1]"
34 . 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 ALA N -57.40 -17.40 -34.38 -64.08 -25.39 6.68 2 1 "[ + . 1]"
35 . 1 20 LEU C 1 21 ALA N 1 21 ALA CA 1 21 ALA C -84.80 -44.80 -81.17 -92.96 -69.37 8.16 2 1 "[ + . 1]"
36 . 1 21 ALA N 1 21 ALA CA 1 21 ALA C 1 22 ALA N -64.90 -8.90 -34.41 -32.17 -40.04 . . 0 "[ . 1]"
37 . 1 21 ALA C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -85.30 -45.30 -57.96 -64.91 -49.60 . . 0 "[ . 1]"
38 . 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 LEU N -47.10 -2.90 -24.96 -26.12 -29.46 . . 0 "[ . 1]"
39 . 1 22 ALA C 1 23 LEU N 1 23 LEU CA 1 23 LEU C -108.40 -68.40 -90.75 -107.87 -74.97 . . 0 "[ . 1]"
40 . 1 23 LEU N 1 23 LEU CA 1 23 LEU C 1 24 GLY N -25.60 19.60 -24.03 -48.53 -3.03 22.93 5 3 "[ -+* 1]"
41 . 1 23 LEU C 1 24 GLY N 1 24 GLY CA 1 24 GLY C 65.00 105.00 113.75 92.75 145.26 40.26 5 4 "[ *+*- 1]"
42 . 1 24 GLY N 1 24 GLY CA 1 24 GLY C 1 25 VAL N -4.00 36.00 23.45 38.58 28.69 9.71 2 1 "[ + . 1]"
43 . 1 24 GLY C 1 25 VAL N 1 25 VAL CA 1 25 VAL C -124.00 -50.00 -86.97 -113.07 -68.15 . . 0 "[ . 1]"
44 . 1 25 VAL N 1 25 VAL CA 1 25 VAL C 1 26 PRO N 81.00 162.80 141.49 155.93 146.59 . . 0 "[ . 1]"
45 . 1 25 VAL C 1 26 PRO N 1 26 PRO CA 1 26 PRO C -77.80 -37.80 -68.36 -83.47 -56.51 5.67 2 1 "[ + . 1]"
46 . 1 26 PRO N 1 26 PRO CA 1 26 PRO C 1 27 GLN N 123.00 163.00 137.73 133.04 128.85 . . 0 "[ . 1]"
47 . 1 26 PRO C 1 27 GLN N 1 27 GLN CA 1 27 GLN C -70.40 -30.40 -58.20 -68.96 -45.77 . . 0 "[ . 1]"
48 . 1 27 GLN N 1 27 GLN CA 1 27 GLN C 1 28 ASP N -64.60 -24.60 -47.71 -62.08 -32.13 . . 0 "[ . 1]"
49 . 1 27 GLN C 1 28 ASP N 1 28 ASP CA 1 28 ASP C -82.80 -42.80 -75.91 -98.32 -59.61 15.52 9 2 "[ . +-]"
50 . 1 28 ASP N 1 28 ASP CA 1 28 ASP C 1 29 SER N -57.50 -17.50 -20.03 -18.81 -25.73 12.80 2 3 "[ + . *-]"
51 . 1 28 ASP C 1 29 SER N 1 29 SER CA 1 29 SER C -85.40 -45.40 -80.57 -92.30 -68.36 6.90 2 3 "[ + *. -1]"
52 . 1 29 SER N 1 29 SER CA 1 29 SER C 1 30 ILE N -59.10 -19.10 -34.03 -37.22 -41.00 3.84 5 0 "[ . 1]"
53 . 1 29 SER C 1 30 ILE N 1 30 ILE CA 1 30 ILE C -86.40 -46.40 -70.89 -91.03 -42.81 4.63 5 0 "[ . 1]"
54 . 1 30 ILE N 1 30 ILE CA 1 30 ILE C 1 31 LYS N -62.50 -22.50 -41.35 -35.78 -40.41 . . 0 "[ . 1]"
55 . 1 30 ILE C 1 31 LYS N 1 31 LYS CA 1 31 LYS C -78.80 -38.80 -72.50 -76.12 -78.70 5.50 5 1 "[ + 1]"
56 . 1 31 LYS N 1 31 LYS CA 1 31 LYS C 1 32 LYS N -63.10 -23.10 -25.21 -50.67 -11.39 11.71 3 3 "[- + . * 1]"
57 . 1 31 LYS C 1 32 LYS N 1 32 LYS CA 1 32 LYS C -87.20 -47.20 -84.13 -109.79 -68.46 22.59 8 1 "[ . + 1]"
58 . 1 32 LYS N 1 32 LYS CA 1 32 LYS C 1 33 ALA N -60.50 -20.50 -14.05 -14.36 -21.28 26.43 8 6 "[ * **-+ *]"
59 . 1 32 LYS C 1 33 ALA N 1 33 ALA CA 1 33 ALA C -85.90 -45.90 -89.19 -105.49 -71.06 19.59 10 5 "[ * - ** +]"
60 . 1 33 ALA N 1 33 ALA CA 1 33 ALA C 1 34 ASN N -54.40 -9.80 -49.82 -62.27 -28.92 7.87 6 3 "[ * .+ -1]"
61 . 1 33 ALA C 1 34 ASN N 1 34 ASN CA 1 34 ASN C -128.80 -60.20 -92.30 -65.22 -79.82 . . 0 "[ . 1]"
62 . 1 34 ASN N 1 34 ASN CA 1 34 ASN C 1 35 SER N -60.30 37.30 14.98 -10.47 33.81 . . 0 "[ . 1]"
63 . 1 36 PRO C 1 37 GLY N 1 37 GLY CA 1 37 GLY C 32.20 115.80 79.46 70.01 91.71 . . 0 "[ . 1]"
64 . 1 37 GLY N 1 37 GLY CA 1 37 GLY C 1 38 VAL N -35.10 53.70 -15.99 -16.80 -24.78 5.60 4 1 "[ +. 1]"
65 . 1 37 GLY C 1 38 VAL N 1 38 VAL CA 1 38 VAL C -95.20 -55.20 -51.50 -42.06 -46.44 16.14 10 5 "[** *. -+]"
66 . 1 38 VAL N 1 38 VAL CA 1 38 VAL C 1 39 VAL N 112.20 168.60 134.56 125.73 150.69 . . 0 "[ . 1]"
67 . 1 38 VAL C 1 39 VAL N 1 39 VAL CA 1 39 VAL C -148.50 -100.30 -74.08 -66.44 -67.74 33.86 2 10 [*+**-*****]
68 . 1 39 VAL N 1 39 VAL CA 1 39 VAL C 1 40 TYR N 109.30 152.10 103.72 88.41 112.77 20.89 8 4 "[ * *. +-1]"
69 . 1 39 VAL C 1 40 TYR N 1 40 TYR CA 1 40 TYR C -154.40 -90.80 -112.48 -93.36 -104.12 6.34 8 1 "[ . + 1]"
70 . 1 40 TYR N 1 40 TYR CA 1 40 TYR C 1 41 GLU N 117.80 172.20 111.46 79.47 152.35 38.33 7 6 "[ *-* + **]"
71 . 1 40 TYR C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -149.80 -90.20 -104.30 -128.50 -130.38 13.73 9 4 "[ - . * +*]"
72 . 1 41 GLU N 1 41 GLU CA 1 41 GLU C 1 42 ILE N 108.50 148.50 115.01 115.39 112.21 9.26 7 1 "[ . + 1]"
73 . 1 41 GLU C 1 42 ILE N 1 42 ILE CA 1 42 ILE C -127.60 -87.60 -117.32 -140.58 -91.67 12.98 8 1 "[ . + 1]"
74 . 1 42 ILE N 1 42 ILE CA 1 42 ILE C 1 43 ILE N 106.30 146.30 108.07 93.76 127.92 12.54 6 3 "[ - .+* 1]"
75 . 1 42 ILE C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -137.00 -68.80 -102.21 -122.04 -80.59 . . 0 "[ . 1]"
76 . 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 VAL N 100.00 156.20 105.34 67.51 131.18 32.49 2 2 "[ + .- 1]"
77 . 1 43 ILE C 1 44 VAL N 1 44 VAL CA 1 44 VAL C -129.70 -89.70 -117.63 -92.69 -112.04 8.84 2 3 "[-+ *. 1]"
78 . 1 44 VAL N 1 44 VAL CA 1 44 VAL C 1 45 ASN N 96.90 149.10 127.02 125.91 124.40 . . 0 "[ . 1]"
79 . 1 44 VAL C 1 45 ASN N 1 45 ASN CA 1 45 ASN C -159.30 -79.10 -162.20 -172.91 -152.79 13.61 9 4 "[ -*. * +1]"
80 . 1 45 ASN N 1 45 ASN CA 1 45 ASN C 1 46 GLY N 70.00 163.80 65.21 77.04 71.46 22.26 8 5 "[* * * + -]"
81 . 1 45 ASN C 1 46 GLY N 1 46 GLY CA 1 46 GLY C 51.70 91.70 56.14 43.64 65.48 8.06 7 1 "[ . + 1]"
82 . 1 46 GLY N 1 46 GLY CA 1 46 GLY C 1 47 ASN N -142.80 -102.80 -97.19 -100.25 -104.86 19.75 6 5 "[ - *.+** 1]"
83 . 1 46 GLY C 1 47 ASN N 1 47 ASN CA 1 47 ASN C -116.40 -74.60 -75.46 -70.27 -71.06 7.17 9 1 "[ . +1]"
84 . 1 47 ASN N 1 47 ASN CA 1 47 ASN C 1 48 LYS N -35.20 34.40 28.37 4.37 46.52 12.12 5 3 "[- +* 1]"
85 . 1 47 ASN C 1 48 LYS N 1 48 LYS CA 1 48 LYS C -142.60 -72.80 -162.88 -167.48 -174.05 41.42 6 8 "[** **+ *-*]"
86 . 1 48 LYS N 1 48 LYS CA 1 48 LYS C 1 49 PHE N 105.10 156.70 104.35 102.71 98.43 15.40 10 3 "[- * +]"
87 . 1 48 LYS C 1 49 PHE N 1 49 PHE CA 1 49 PHE C -141.50 -89.10 -133.57 -141.63 -122.01 0.13 6 0 "[ . 1]"
88 . 1 49 PHE N 1 49 PHE CA 1 49 PHE C 1 50 THR N 104.70 156.90 124.23 115.30 138.30 . . 0 "[ . 1]"
89 . 1 49 PHE C 1 50 THR N 1 50 THR CA 1 50 THR C -133.90 -93.90 -140.78 -160.00 -128.01 26.10 2 6 "[*+* .- * *]"
90 . 1 50 THR N 1 50 THR CA 1 50 THR C 1 51 PHE N 105.60 145.60 138.03 137.04 134.87 0.33 9 0 "[ . 1]"
91 . 1 50 THR C 1 51 PHE N 1 51 PHE CA 1 51 PHE C -159.30 -74.50 -135.26 -133.79 -136.95 . . 0 "[ . 1]"
92 . 1 51 PHE N 1 51 PHE CA 1 51 PHE C 1 52 LYS N 99.00 174.20 127.57 129.10 123.34 1.65 8 0 "[ . 1]"
93 . 1 51 PHE C 1 52 LYS N 1 52 LYS CA 1 52 LYS C -152.70 -81.90 -137.97 -154.50 -113.62 1.80 10 0 "[ . 1]"
94 . 1 52 LYS N 1 52 LYS CA 1 52 LYS C 1 53 SER N 118.90 160.10 154.80 140.80 166.61 6.51 4 1 "[ +. 1]"
95 . 1 52 LYS C 1 53 SER N 1 53 SER CA 1 53 SER C -156.00 -39.80 -119.14 -111.06 -119.43 . . 0 "[ . 1]"
96 . 1 53 SER N 1 53 SER CA 1 53 SER C 1 54 SER N 105.30 -166.30 139.38 141.71 140.98 . . 0 "[ . 1]"
97 . 1 53 SER C 1 54 SER N 1 54 SER CA 1 54 SER C -78.90 -38.90 -129.32 -138.04 -116.93 59.14 4 10 [**-+******]
98 . 1 54 SER N 1 54 SER CA 1 54 SER C 1 55 SER N -50.40 -4.80 21.41 12.36 30.06 34.86 4 10 [*-*+******]
99 . 1 54 SER C 1 55 SER N 1 55 SER CA 1 55 SER C -108.20 -68.20 -75.11 -81.05 -70.43 . . 0 "[ . 1]"
100 . 1 55 SER N 1 55 SER CA 1 55 SER C 1 56 GLY N -30.80 28.80 30.80 32.49 20.10 28.98 6 5 "[ - *.+ **]"
101 . 1 55 SER C 1 56 GLY N 1 56 GLY CA 1 56 GLY C 60.90 124.90 107.11 77.34 133.34 8.44 8 1 "[ . + 1]"
102 . 1 56 GLY N 1 56 GLY CA 1 56 GLY C 1 57 MET N -29.50 49.90 -34.29 -26.34 -27.84 15.64 9 4 "[ - . * +*]"
103 . 1 56 GLY C 1 57 MET N 1 57 MET CA 1 57 MET C -96.10 -46.70 -82.14 -94.66 -102.99 6.89 1 1 "[+ . 1]"
104 . 1 57 MET N 1 57 MET CA 1 57 MET C 1 58 ASN N 109.50 152.50 127.20 112.08 136.69 . . 0 "[ . 1]"
105 . 1 57 MET C 1 58 ASN N 1 58 ASN CA 1 58 ASN C -135.30 -51.50 -89.07 -77.41 -86.60 . . 0 "[ . 1]"
106 . 1 58 ASN N 1 58 ASN CA 1 58 ASN C 1 59 SER N 112.10 158.10 81.13 91.74 81.62 55.48 8 10 [*******+-*]
107 . 1 58 ASN C 1 59 SER N 1 59 SER CA 1 59 SER C -155.20 -60.00 -115.70 -135.77 -88.93 . . 0 "[ . 1]"
108 . 1 59 SER N 1 59 SER CA 1 59 SER C 1 60 THR N 95.80 155.80 121.76 100.49 133.66 . . 0 "[ . 1]"
109 . 1 59 SER C 1 60 THR N 1 60 THR CA 1 60 THR C -136.10 -86.50 -139.04 -146.87 -149.08 12.98 1 5 "[+-* .* *]"
110 . 1 60 THR N 1 60 THR CA 1 60 THR C 1 61 LEU N 105.90 145.90 130.36 128.21 123.80 . . 0 "[ . 1]"
111 . 1 60 THR C 1 61 LEU N 1 61 LEU CA 1 61 LEU C -143.40 -69.80 -130.48 -134.07 -137.50 . . 0 "[ . 1]"
112 . 1 61 LEU N 1 61 LEU CA 1 61 LEU C 1 62 ILE N 100.20 -178.40 155.92 109.04 179.22 . . 0 "[ . 1]"
113 . 1 63 VAL C 1 64 ASN N 1 64 ASN CA 1 64 ASN C 28.30 84.90 52.79 58.43 51.41 . . 0 "[ . 1]"
114 . 1 64 ASN N 1 64 ASN CA 1 64 ASN C 1 65 GLU N -14.00 84.20 43.05 28.79 71.10 . . 0 "[ . 1]"
115 . 1 64 ASN C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -141.00 -87.40 -125.54 -134.11 -140.56 2.16 1 0 "[ . 1]"
116 . 1 65 GLU N 1 65 GLU CA 1 65 GLU C 1 66 GLU N 115.20 -171.20 -163.59 170.08 -140.91 30.29 3 6 "[- + .* ***]"
117 . 1 65 GLU C 1 66 GLU N 1 66 GLU CA 1 66 GLU C -165.50 -77.30 -142.19 -131.19 -137.97 6.28 3 1 "[ + . 1]"
118 . 1 66 GLU N 1 66 GLU CA 1 66 GLU C 1 67 VAL N 107.60 165.00 159.67 162.23 161.66 . . 0 "[ . 1]"
119 . 1 66 GLU C 1 67 VAL N 1 67 VAL CA 1 67 VAL C -150.60 -110.00 -153.97 -152.06 -155.08 12.52 7 4 "[- * .*+ 1]"
120 . 1 67 VAL N 1 67 VAL CA 1 67 VAL C 1 68 GLU N 136.90 -177.30 158.15 157.76 154.68 . . 0 "[ . 1]"
121 . 1 67 VAL C 1 68 GLU N 1 68 GLU CA 1 68 GLU C -137.60 -69.40 -120.90 -140.95 -102.38 3.35 9 0 "[ . 1]"
122 . 1 68 GLU N 1 68 GLU CA 1 68 GLU C 1 69 GLU N 101.00 151.40 142.13 156.00 152.98 4.60 2 0 "[ . 1]"
123 . 1 68 GLU C 1 69 GLU N 1 69 GLU CA 1 69 GLU C -154.20 -91.80 -150.44 -155.45 -158.37 5.85 9 1 "[ . +1]"
124 . 1 69 GLU N 1 69 GLU CA 1 69 GLU C 1 70 VAL N 98.20 165.20 142.78 141.93 136.05 . . 0 "[ . 1]"
125 . 1 69 GLU C 1 70 VAL N 1 70 VAL CA 1 70 VAL C -121.50 -81.50 -105.49 -101.25 -103.30 1.83 3 0 "[ . 1]"
126 . 1 70 VAL N 1 70 VAL CA 1 70 VAL C 1 71 LEU N 101.70 141.70 146.04 145.32 139.05 19.95 5 4 "[ + ** -]"
127 . 1 71 LEU C 1 72 GLY N 1 72 GLY CA 1 72 GLY C -82.70 -42.70 -74.26 -65.59 -70.11 10.25 6 1 "[ .+ 1]"
128 . 1 72 GLY N 1 72 GLY CA 1 72 GLY C 1 73 THR N -43.70 0.10 -60.72 -89.42 -30.58 45.72 3 8 "[**+** -* *]"
129 . 1 72 GLY C 1 73 THR N 1 73 THR CA 1 73 THR C -85.70 -45.70 -71.18 -86.82 -56.68 1.12 10 0 "[ . 1]"
130 . 1 73 THR N 1 73 THR CA 1 73 THR C 1 74 VAL N -53.00 -4.40 -31.77 -57.16 3.45 7.85 9 1 "[ . +1]"
131 . 1 73 THR C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -122.70 -73.30 -87.80 -72.95 -83.26 24.36 9 4 "[ *- . *+1]"
132 . 1 74 VAL N 1 74 VAL CA 1 74 VAL C 1 75 ASN N -11.10 28.90 -19.99 -28.43 -12.89 17.33 8 7 "[ ** .**+*-]"
133 . 1 74 VAL C 1 75 ASN N 1 75 ASN CA 1 75 ASN C 37.20 77.20 58.83 53.64 45.18 . . 0 "[ . 1]"
134 . 1 75 ASN N 1 75 ASN CA 1 75 ASN C 1 76 MET N 21.90 61.90 17.64 6.49 30.12 15.41 4 5 "[ **+- * 1]"
135 . 1 75 ASN C 1 76 MET N 1 76 MET CA 1 76 MET C -151.80 -86.20 -94.48 -96.85 -108.30 19.29 7 4 "[ * *- + 1]"
136 . 1 76 MET N 1 76 MET CA 1 76 MET C 1 77 ASN N 114.70 170.90 129.34 108.48 150.07 6.22 7 1 "[ . + 1]"
137 . 1 77 ASN C 1 78 ILE N 1 78 ILE CA 1 78 ILE C -156.90 -116.90 -132.36 -127.13 -131.31 4.03 7 0 "[ . 1]"
138 . 1 78 ILE N 1 78 ILE CA 1 78 ILE C 1 79 LYS N 142.00 -176.40 160.04 141.27 177.18 0.73 4 0 "[ . 1]"
139 . 1 78 ILE C 1 79 LYS N 1 79 LYS CA 1 79 LYS C -155.60 -79.00 -115.34 -122.54 -125.87 . . 0 "[ . 1]"
140 . 1 79 LYS N 1 79 LYS CA 1 79 LYS C 1 80 SER N 112.10 157.70 158.92 151.32 164.46 6.76 10 1 "[ . +]"
141 . 1 79 LYS C 1 80 SER N 1 80 SER CA 1 80 SER C -150.10 -110.10 -146.03 -147.28 -147.63 6.19 10 1 "[ . +]"
142 . 1 80 SER N 1 80 SER CA 1 80 SER C 1 81 PHE N 99.30 139.30 125.81 128.14 123.61 4.18 7 0 "[ . 1]"
143 . 1 80 SER C 1 81 PHE N 1 81 PHE CA 1 81 PHE C -146.20 -85.20 -119.01 -136.32 -110.60 . . 0 "[ . 1]"
144 . 1 81 PHE N 1 81 PHE CA 1 81 PHE C 1 82 THR N 103.70 143.70 97.54 88.38 108.73 15.32 2 6 "[-+ .** **]"
145 . 1 81 PHE C 1 82 THR N 1 82 THR CA 1 82 THR C -126.80 -86.80 -77.66 -91.73 -70.25 16.55 9 8 "[** **-* +*]"
146 . 1 82 THR N 1 82 THR CA 1 82 THR C 1 83 LYS N 108.70 148.70 143.94 135.16 154.66 5.96 1 1 "[+ . 1]"
147 . 1 82 THR C 1 83 LYS N 1 83 LYS CA 1 83 LYS C -150.40 -79.40 -152.92 -154.01 -162.41 14.72 1 3 "[+ - * 1]"
148 . 1 83 LYS N 1 83 LYS CA 1 83 LYS C 1 84 LEU N 117.90 157.90 128.36 111.35 143.44 6.55 7 1 "[ . + 1]"
149 . 1 83 LYS C 1 84 LEU N 1 84 LEU CA 1 84 LEU C -148.00 -81.00 -91.88 -97.96 -107.15 . . 0 "[ . 1]"
150 . 1 84 LEU N 1 84 LEU CA 1 84 LEU C 1 85 GLU N 103.80 143.80 134.87 133.25 109.43 0.25 2 0 "[ . 1]"
151 . 1 84 LEU C 1 85 GLU N 1 85 GLU CA 1 85 GLU C -160.40 -72.60 -123.03 -131.75 -99.62 . . 0 "[ . 1]"
152 . 1 85 GLU N 1 85 GLU CA 1 85 GLU C 1 86 GLY N 64.70 161.30 54.34 60.30 49.58 25.89 3 6 "[- +**** 1]"
153 . 1 85 GLU C 1 86 GLY N 1 86 GLY CA 1 86 GLY C 52.00 92.00 76.39 59.52 87.18 . . 0 "[ . 1]"
154 . 1 86 GLY N 1 86 GLY CA 1 86 GLY C 1 87 SER N -143.80 -103.80 -98.37 -94.00 -96.43 17.19 2 6 "[ + -** **]"
155 . 1 86 GLY C 1 87 SER N 1 87 SER CA 1 87 SER C -115.90 -74.50 -96.58 -111.65 -75.58 . . 0 "[ . 1]"
156 . 1 87 SER N 1 87 SER CA 1 87 SER C 1 88 LYS N -21.20 30.80 27.56 17.02 43.87 13.07 3 1 "[ + . 1]"
157 . 1 87 SER C 1 88 LYS N 1 88 LYS CA 1 88 LYS C -165.80 -73.20 -164.74 -178.31 -157.74 12.51 3 1 "[ + . 1]"
158 . 1 88 LYS N 1 88 LYS CA 1 88 LYS C 1 89 LEU N 118.20 158.20 140.40 126.31 157.53 . . 0 "[ . 1]"
159 . 1 88 LYS C 1 89 LEU N 1 89 LEU CA 1 89 LEU C -151.70 -82.70 -96.90 -114.36 -83.34 . . 0 "[ . 1]"
160 . 1 89 LEU N 1 89 LEU CA 1 89 LEU C 1 90 VAL N 109.00 149.00 151.89 140.14 164.76 15.76 6 4 "[* * .+ - 1]"
161 . 1 89 LEU C 1 90 VAL N 1 90 VAL CA 1 90 VAL C -135.30 -95.30 -121.45 -114.75 -124.91 2.08 4 0 "[ . 1]"
162 . 1 90 VAL N 1 90 VAL CA 1 90 VAL C 1 91 VAL N 107.70 147.70 154.08 162.45 157.54 16.88 2 4 "[ + -. **]"
163 . 1 90 VAL C 1 91 VAL N 1 91 VAL CA 1 91 VAL C -137.10 -97.10 -141.42 -155.55 -130.97 18.45 2 4 "[ + -. **]"
164 . 1 91 VAL N 1 91 VAL CA 1 91 VAL C 1 92 ASN N 104.20 144.20 114.29 99.24 130.61 4.96 10 0 "[ . 1]"
165 . 1 91 VAL C 1 92 ASN N 1 92 ASN CA 1 92 ASN C -143.30 -78.70 -73.32 -80.28 -66.53 12.17 5 6 "[* - + ***]"
166 . 1 92 ASN N 1 92 ASN CA 1 92 ASN C 1 93 SER N 106.70 146.70 107.26 95.39 116.27 11.31 10 2 "[ - . +]"
167 . 1 92 ASN C 1 93 SER N 1 93 SER CA 1 93 SER C -171.20 -101.20 -90.98 -88.46 -91.47 18.69 3 8 "[**+*-* **]"
168 . 1 93 SER N 1 93 SER CA 1 93 SER C 1 94 GLU N 122.60 -168.80 113.20 97.18 126.70 25.42 6 7 "[*** .+ *-*]"
169 . 1 93 SER C 1 94 GLU N 1 94 GLU CA 1 94 GLU C -149.70 -108.30 -98.15 -107.17 -90.70 17.60 1 9 [+***.***-*]
170 . 1 94 GLU N 1 94 GLU CA 1 94 GLU C 1 95 LEU N 108.40 166.40 134.78 130.01 140.70 . . 0 "[ . 1]"
171 . 1 94 GLU C 1 95 LEU N 1 95 LEU CA 1 95 LEU C -113.90 -57.30 -114.21 -109.85 -113.46 6.60 9 1 "[ . +1]"
172 . 1 95 LEU N 1 95 LEU CA 1 95 LEU C 1 96 PRO N 99.50 -177.90 104.42 110.15 106.41 1.05 9 0 "[ . 1]"
173 . 1 95 LEU C 1 96 PRO N 1 96 PRO CA 1 96 PRO C -80.70 -34.70 -54.59 -61.75 -65.38 . . 0 "[ . 1]"
174 . 1 96 PRO N 1 96 PRO CA 1 96 PRO C 1 97 ASP N -52.50 -1.50 -24.46 -38.71 -9.54 . . 0 "[ . 1]"
175 . 1 96 PRO C 1 97 ASP N 1 97 ASP CA 1 97 ASP C -120.10 -54.30 -58.95 -65.29 -71.13 9.44 6 2 "[ .+ -1]"
176 . 1 97 ASP N 1 97 ASP CA 1 97 ASP C 1 98 GLY N -24.30 23.90 -12.17 11.44 -0.38 2.16 9 0 "[ . 1]"
177 . 1 97 ASP C 1 98 GLY N 1 98 GLY CA 1 98 GLY C 74.80 114.80 118.57 95.28 133.03 18.23 10 5 "[* -.* *+]"
178 . 1 98 GLY N 1 98 GLY CA 1 98 GLY C 1 99 ARG N -28.70 11.30 -23.51 -41.69 -1.55 12.99 2 3 "[*+ .- 1]"
179 . 1 98 GLY C 1 99 ARG N 1 99 ARG CA 1 99 ARG C -99.10 -59.10 -95.06 -83.07 -85.24 16.61 3 2 "[ + . -1]"
180 . 1 99 ARG N 1 99 ARG CA 1 99 ARG C 1 100 LYS N 71.80 -162.80 59.90 48.43 79.76 23.37 8 8 "[-***.**+ *]"
181 . 1 99 ARG C 1 100 LYS N 1 100 LYS CA 1 100 LYS C -171.20 -80.20 -64.78 -74.60 -57.84 22.36 7 10 [****-*+***]
182 . 1 100 LYS N 1 100 LYS CA 1 100 LYS C 1 101 GLY N 129.50 -176.50 157.47 162.95 160.21 . . 0 "[ . 1]"
183 . 1 101 GLY C 1 102 THR N 1 102 THR CA 1 102 THR C -172.60 -95.40 -127.63 -116.30 -128.08 23.53 5 1 "[ + 1]"
184 . 1 102 THR N 1 102 THR CA 1 102 THR C 1 103 ARG N 122.60 175.60 122.47 108.96 163.36 13.64 2 4 "[ + *- *1]"
185 . 1 102 THR C 1 103 ARG N 1 103 ARG CA 1 103 ARG C -165.70 -97.90 -88.72 -71.98 -82.01 28.90 4 9 "[***+* **-*]"
186 . 1 103 ARG N 1 103 ARG CA 1 103 ARG C 1 104 THR N 110.70 172.50 149.84 138.95 169.69 . . 0 "[ . 1]"
187 . 1 103 ARG C 1 104 THR N 1 104 THR CA 1 104 THR C -127.30 -87.30 -137.72 -135.47 -136.96 27.28 5 9 "[*-**+ ****]"
188 . 1 104 THR N 1 104 THR CA 1 104 THR C 1 105 TYR N 100.50 140.50 134.16 125.88 148.04 7.54 1 2 "[+ - 1]"
189 . 1 104 THR C 1 105 TYR N 1 105 TYR CA 1 105 TYR C -140.80 -70.20 -122.86 -126.93 -130.63 . . 0 "[ . 1]"
190 . 1 105 TYR N 1 105 TYR CA 1 105 TYR C 1 106 GLU N 109.70 160.70 94.11 79.73 103.81 29.97 6 10 [****-+****]
191 . 1 105 TYR C 1 106 GLU N 1 106 GLU CA 1 106 GLU C -119.30 -75.30 -82.01 -143.55 -58.89 24.25 3 5 "[ +-.*** 1]"
192 . 1 106 GLU N 1 106 GLU CA 1 106 GLU C 1 107 PHE N 108.70 148.70 146.43 152.81 142.69 14.30 10 3 "[ .- *+]"
193 . 1 106 GLU C 1 107 PHE N 1 107 PHE CA 1 107 PHE C -140.20 -71.00 -129.67 175.84 -87.69 43.96 4 2 "[ -+. 1]"
194 . 1 107 PHE N 1 107 PHE CA 1 107 PHE C 1 108 CYS N 98.40 -171.20 138.30 136.55 124.31 18.69 4 1 "[ +. 1]"
195 . 1 107 PHE C 1 108 CYS N 1 108 CYS CA 1 108 CYS C -133.60 -64.00 -152.51 -153.12 -154.11 32.09 6 9 "[** *-+****]"
196 . 1 108 CYS N 1 108 CYS CA 1 108 CYS C 1 109 ASP N 132.90 -168.90 153.12 153.55 148.19 . . 0 "[ . 1]"
197 . 1 108 CYS C 1 109 ASP N 1 109 ASP CA 1 109 ASP C -78.30 -38.30 -55.31 -61.04 -67.31 19.78 4 1 "[ +. 1]"
198 . 1 109 ASP N 1 109 ASP CA 1 109 ASP C 1 110 LYS N -59.70 -19.70 -40.00 -40.82 -44.13 . . 0 "[ . 1]"
199 . 1 109 ASP C 1 110 LYS N 1 110 LYS CA 1 110 LYS C -108.00 -68.00 -76.73 -69.72 -73.13 . . 0 "[ . 1]"
200 . 1 110 LYS N 1 110 LYS CA 1 110 LYS C 1 111 GLY N -40.00 15.60 5.52 -8.50 13.46 . . 0 "[ . 1]"
201 . 1 111 GLY C 1 112 PHE N 1 112 PHE CA 1 112 PHE C -176.80 -101.40 -116.84 -179.57 -64.71 36.69 9 3 "[*- . +1]"
202 . 1 112 PHE N 1 112 PHE CA 1 112 PHE C 1 113 VAL N 135.30 -179.90 119.16 98.70 147.02 36.60 10 7 "[ ***-** +]"
203 . 1 112 PHE C 1 113 VAL N 1 113 VAL CA 1 113 VAL C -151.40 -83.00 -111.33 -129.92 -135.31 . . 0 "[ . 1]"
204 . 1 113 VAL N 1 113 VAL CA 1 113 VAL C 1 114 LEU N 107.30 147.30 112.58 99.06 125.62 8.24 4 2 "[ - +. 1]"
205 . 1 113 VAL C 1 114 LEU N 1 114 LEU CA 1 114 LEU C -137.00 -74.20 -84.13 -85.34 -94.97 8.93 7 2 "[ - . + 1]"
206 . 1 114 LEU N 1 114 LEU CA 1 114 LEU C 1 115 THR N 98.10 147.50 94.74 101.83 101.49 15.38 8 5 "[ * . *+-*]"
207 . 1 114 LEU C 1 115 THR N 1 115 THR CA 1 115 THR C -137.70 -88.10 -101.18 -122.79 -84.70 3.40 8 0 "[ . 1]"
208 . 1 115 THR N 1 115 THR CA 1 115 THR C 1 116 MET N 103.10 143.10 142.27 113.98 164.97 21.87 5 5 "[ + *-**]"
209 . 1 115 THR C 1 116 MET N 1 116 MET CA 1 116 MET C -145.00 -80.80 -119.20 -94.68 -101.23 . . 0 "[ . 1]"
210 . 1 116 MET N 1 116 MET CA 1 116 MET C 1 117 CYS N 92.60 176.00 115.71 87.95 152.16 4.65 6 0 "[ . 1]"
211 . 1 116 MET C 1 117 CYS N 1 117 CYS CA 1 117 CYS C -137.50 -89.10 -99.06 -95.32 -121.06 12.03 6 3 "[ * .+ - 1]"
212 . 1 117 CYS N 1 117 CYS CA 1 117 CYS C 1 118 ALA N 94.70 168.90 135.11 133.86 118.86 . . 0 "[ . 1]"
213 . 1 117 CYS C 1 118 ALA N 1 118 ALA CA 1 118 ALA C 179.90 -58.50 -128.00 -161.80 -96.23 . . 0 "[ . 1]"
214 . 1 118 ALA N 1 118 ALA CA 1 118 ALA C 1 119 GLY N 76.50 143.50 169.35 168.06 163.56 38.96 6 10 [*****+-***]
215 . 1 119 GLY C 1 120 ASP N 1 120 ASP CA 1 120 ASP C -114.90 -74.90 -93.67 -93.81 -98.23 4.63 8 0 "[ . 1]"
216 . 1 120 ASP N 1 120 ASP CA 1 120 ASP C 1 121 MET N -33.80 30.80 -34.89 -57.79 -22.50 23.99 8 2 "[ - + 1]"
217 . 1 121 MET C 1 122 VAL N 1 122 VAL CA 1 122 VAL C -142.70 -102.70 -143.37 -157.76 -127.75 15.06 7 2 "[ - . + 1]"
218 . 1 122 VAL N 1 122 VAL CA 1 122 VAL C 1 123 ALA N 108.70 166.50 150.78 125.73 -176.68 16.82 9 1 "[ . +1]"
219 . 1 122 VAL C 1 123 ALA N 1 123 ALA CA 1 123 ALA C -151.10 -107.30 -130.47 -149.65 -158.39 13.25 1 3 "[+ . -*1]"
220 . 1 123 ALA N 1 123 ALA CA 1 123 ALA C 1 124 LYS N 121.80 172.20 154.13 135.68 115.25 6.55 1 1 "[+ . 1]"
221 . 1 123 ALA C 1 124 LYS N 1 124 LYS CA 1 124 LYS C -163.40 -106.00 -155.56 -177.85 -127.28 14.45 8 2 "[ . + -]"
222 . 1 124 LYS N 1 124 LYS CA 1 124 LYS C 1 125 ARG N 131.00 173.20 118.38 97.42 139.65 33.58 10 8 "[ *-*** **+]"
223 . 1 124 LYS C 1 125 ARG N 1 125 ARG CA 1 125 ARG C -165.00 -115.80 -131.67 -142.16 -144.43 4.88 6 0 "[ . 1]"
224 . 1 125 ARG N 1 125 ARG CA 1 125 ARG C 1 126 TYR N 122.00 162.00 157.78 149.31 136.06 11.14 9 3 "[ .* -+1]"
225 . 1 125 ARG C 1 126 TYR N 1 126 TYR CA 1 126 TYR C -133.00 -72.00 -145.27 -161.19 -116.91 28.19 2 7 "[ + **- ***]"
226 . 1 126 TYR N 1 126 TYR CA 1 126 TYR C 1 127 PHE N 100.30 156.30 130.48 139.19 132.71 . . 0 "[ . 1]"
227 . 1 126 TYR C 1 127 PHE N 1 127 PHE CA 1 127 PHE C -144.50 -83.50 -107.57 -127.50 -95.86 . . 0 "[ . 1]"
228 . 1 127 PHE N 1 127 PHE CA 1 127 PHE C 1 128 ILE N 110.70 170.50 122.16 118.28 117.10 . . 0 "[ . 1]"
229 . 1 127 PHE C 1 128 ILE N 1 128 ILE CA 1 128 ILE C -144.60 -97.60 -122.26 -139.67 -106.78 . . 0 "[ . 1]"
230 . 1 128 ILE N 1 128 ILE CA 1 128 ILE C 1 129 ARG N 111.10 151.10 156.49 156.94 154.61 13.85 8 5 "[ * ** +-1]"
231 . 1 128 ILE C 1 129 ARG N 1 129 ARG CA 1 129 ARG C -139.10 -27.90 -42.38 -40.92 -42.39 . . 0 "[ . 1]"
232 . 1 129 ARG N 1 129 ARG CA 1 129 ARG C 1 130 THR N 92.70 161.90 141.79 135.21 148.45 . . 0 "[ . 1]"
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