NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
561606 |
2ls6   |
17694 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2ls6
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 190
_TA_constraint_stats_list.Viol_count 1234
_TA_constraint_stats_list.Viol_total 14168.00
_TA_constraint_stats_list.Viol_max 8.19
_TA_constraint_stats_list.Viol_rms 0.46
_TA_constraint_stats_list.Viol_average_all_restraints 0.17
_TA_constraint_stats_list.Viol_average_violations_only 0.55
_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 28 ILE C 1 29 ILE N 1 29 ILE CA 1 29 ILE C -142.44 -82.44 -86.35 -81.98 -82.04 0.51 5 0 "[ . 1 . 2 ]"
2 . 1 29 ILE N 1 29 ILE CA 1 29 ILE C 1 30 ALA N 88.71 160.79 153.93 88.58 161.40 0.61 17 0 "[ . 1 . 2 ]"
3 . 1 29 ILE C 1 30 ALA N 1 30 ALA CA 1 30 ALA C -143.84 -69.28 -125.29 -119.41 -124.12 0.16 20 0 "[ . 1 . 2 ]"
4 . 1 30 ALA N 1 30 ALA CA 1 30 ALA C 1 31 THR N 98.72 158.72 100.23 97.74 123.85 0.98 2 0 "[ . 1 . 2 ]"
5 . 1 30 ALA C 1 31 THR N 1 31 THR CA 1 31 THR C -147.43 -85.99 -92.85 -84.88 -85.61 1.11 2 0 "[ . 1 . 2 ]"
6 . 1 31 THR N 1 31 THR CA 1 31 THR C 1 32 TYR N 97.01 157.01 131.82 116.48 157.23 0.22 11 0 "[ . 1 . 2 ]"
7 . 1 31 THR C 1 32 TYR N 1 32 TYR CA 1 32 TYR C -133.23 -52.45 -65.43 -55.45 -80.92 0.74 2 0 "[ . 1 . 2 ]"
8 . 1 32 TYR N 1 32 TYR CA 1 32 TYR C 1 33 ILE N 97.08 157.08 141.44 136.18 134.35 . . 0 "[ . 1 . 2 ]"
9 . 1 32 TYR C 1 33 ILE N 1 33 ILE CA 1 33 ILE C -167.25 -107.25 -120.27 -134.36 -107.16 0.09 17 0 "[ . 1 . 2 ]"
10 . 1 33 ILE N 1 33 ILE CA 1 33 ILE C 1 34 SER N 131.01 -168.99 172.94 145.26 -168.83 0.16 9 0 "[ . 1 . 2 ]"
11 . 1 33 ILE C 1 34 SER N 1 34 SER CA 1 34 SER C -177.37 -103.33 -174.48 -172.52 -176.41 0.69 11 0 "[ . 1 . 2 ]"
12 . 1 34 SER N 1 34 SER CA 1 34 SER C 1 35 ASN N 129.63 -170.37 141.60 149.05 137.84 0.28 11 0 "[ . 1 . 2 ]"
13 . 1 38 ASP C 1 39 ALA N 1 39 ALA CA 1 39 ALA C -114.89 -51.21 -82.81 -80.44 -89.45 0.32 1 0 "[ . 1 . 2 ]"
14 . 1 39 ALA N 1 39 ALA CA 1 39 ALA C 1 40 PRO N 105.61 173.47 152.65 155.24 150.36 . . 0 "[ . 1 . 2 ]"
15 . 1 40 PRO N 1 40 PRO CA 1 40 PRO C 1 41 THR N 120.14 -179.86 128.96 123.87 120.13 0.48 17 0 "[ . 1 . 2 ]"
16 . 1 42 GLY C 1 43 ASN N 1 43 ASN CA 1 43 ASN C -158.35 -31.09 -155.40 -159.11 -111.31 0.76 2 0 "[ . 1 . 2 ]"
17 . 1 43 ASN N 1 43 ASN CA 1 43 ASN C 1 44 PRO N 89.75 171.11 117.90 132.49 127.26 . . 0 "[ . 1 . 2 ]"
18 . 1 44 PRO N 1 44 PRO CA 1 44 PRO C 1 45 ASP N -61.83 -1.83 -1.23 0.40 -0.33 2.23 2 0 "[ . 1 . 2 ]"
19 . 1 44 PRO C 1 45 ASP N 1 45 ASP CA 1 45 ASP C -94.34 -34.34 -39.71 -37.48 -38.25 0.29 12 0 "[ . 1 . 2 ]"
20 . 1 45 ASP N 1 45 ASP CA 1 45 ASP C 1 46 ASN N -63.59 -3.59 -36.31 -48.90 -28.95 . . 0 "[ . 1 . 2 ]"
21 . 1 45 ASP C 1 46 ASN N 1 46 ASN CA 1 46 ASN C -100.42 -40.42 -48.94 -60.26 -45.39 . . 0 "[ . 1 . 2 ]"
22 . 1 46 ASN N 1 46 ASN CA 1 46 ASN C 1 47 ILE N -58.59 22.31 -33.84 -56.35 -25.89 . . 0 "[ . 1 . 2 ]"
23 . 1 46 ASN C 1 47 ILE N 1 47 ILE CA 1 47 ILE C -102.67 -37.77 -93.29 -91.02 -93.90 0.43 21 0 "[ . 1 . 2 ]"
24 . 1 47 ILE N 1 47 ILE CA 1 47 ILE C 1 48 PHE N -79.22 38.94 -33.99 -35.08 -36.82 . . 0 "[ . 1 . 2 ]"
25 . 1 47 ILE C 1 48 PHE N 1 48 PHE CA 1 48 PHE C -114.79 -54.79 -59.45 -54.73 -65.38 1.03 4 0 "[ . 1 . 2 ]"
26 . 1 48 PHE N 1 48 PHE CA 1 48 PHE C 1 49 ASP N -52.32 20.94 -38.69 -52.62 -1.57 0.30 2 0 "[ . 1 . 2 ]"
27 . 1 49 ASP C 1 50 ASN N 1 50 ASN CA 1 50 ASN C 21.94 109.34 52.85 41.61 74.75 . . 0 "[ . 1 . 2 ]"
28 . 1 50 ASN N 1 50 ASN CA 1 50 ASN C 1 51 ASN N -24.76 98.92 78.02 80.79 63.04 0.39 17 0 "[ . 1 . 2 ]"
29 . 1 52 ALA C 1 53 SER N 1 53 SER CA 1 53 SER C -113.17 -53.17 -104.27 -115.12 -52.80 1.95 2 0 "[ . 1 . 2 ]"
30 . 1 53 SER N 1 53 SER CA 1 53 SER C 1 54 THR N -49.78 28.52 -0.65 -50.20 29.18 0.66 4 0 "[ . 1 . 2 ]"
31 . 1 53 SER C 1 54 THR N 1 54 THR CA 1 54 THR C -160.68 -86.28 -129.04 -85.02 -85.90 1.26 2 0 "[ . 1 . 2 ]"
32 . 1 54 THR N 1 54 THR CA 1 54 THR C 1 55 GLU N 99.11 170.51 171.43 176.45 172.73 5.94 2 1 "[ + . 1 . 2 ]"
33 . 1 54 THR C 1 55 GLU N 1 55 GLU CA 1 55 GLU C -162.75 -102.75 -111.28 -140.71 -101.34 1.41 4 0 "[ . 1 . 2 ]"
34 . 1 55 GLU N 1 55 GLU CA 1 55 GLU C 1 56 LEU N 124.63 -175.37 156.06 139.26 173.03 . . 0 "[ . 1 . 2 ]"
35 . 1 55 GLU C 1 56 LEU N 1 56 LEU CA 1 56 LEU C -163.65 -87.99 -159.16 -161.86 -163.74 0.32 14 0 "[ . 1 . 2 ]"
36 . 1 56 LEU N 1 56 LEU CA 1 56 LEU C 1 57 VAL N 110.57 170.57 127.02 123.10 121.23 0.58 20 0 "[ . 1 . 2 ]"
37 . 1 56 LEU C 1 57 VAL N 1 57 VAL CA 1 57 VAL C -153.76 -93.76 -154.16 -154.25 -154.28 1.72 9 0 "[ . 1 . 2 ]"
38 . 1 57 VAL N 1 57 VAL CA 1 57 VAL C 1 58 TYR N 105.35 167.13 140.50 133.24 129.73 0.48 9 0 "[ . 1 . 2 ]"
39 . 1 57 VAL C 1 58 TYR N 1 58 TYR CA 1 58 TYR C -107.12 -27.12 -103.62 -107.96 -69.59 0.84 5 0 "[ . 1 . 2 ]"
40 . 1 58 TYR N 1 58 TYR CA 1 58 TYR C 1 59 LYS N 100.38 -175.62 134.50 112.11 177.94 . . 0 "[ . 1 . 2 ]"
41 . 1 58 TYR C 1 59 LYS N 1 59 LYS CA 1 59 LYS C -163.87 -83.87 -134.87 -148.77 -162.90 0.75 16 0 "[ . 1 . 2 ]"
42 . 1 59 LYS N 1 59 LYS CA 1 59 LYS C 1 60 ASN N -58.62 25.38 -36.41 -60.88 25.54 2.26 16 0 "[ . 1 . 2 ]"
43 . 1 61 PRO N 1 61 PRO CA 1 61 PRO C 1 62 ASN N 110.72 170.72 110.32 113.33 110.60 1.07 15 0 "[ . 1 . 2 ]"
44 . 1 62 ASN C 1 63 ARG N 1 63 ARG CA 1 63 ARG C 171.41 -75.97 -140.83 170.83 -90.16 0.58 4 0 "[ . 1 . 2 ]"
45 . 1 63 ARG N 1 63 ARG CA 1 63 ARG C 1 64 ILE N 123.35 -172.29 126.44 123.14 122.88 0.47 1 0 "[ . 1 . 2 ]"
46 . 1 63 ARG C 1 64 ILE N 1 64 ILE CA 1 64 ILE C -157.65 -97.65 -144.16 -155.43 -157.70 0.37 1 0 "[ . 1 . 2 ]"
47 . 1 64 ILE N 1 64 ILE CA 1 64 ILE C 1 65 ASP N 117.52 177.52 145.88 138.12 133.56 0.21 21 0 "[ . 1 . 2 ]"
48 . 1 64 ILE C 1 65 ASP N 1 65 ASP CA 1 65 ASP C -118.62 -39.52 -116.71 -115.48 -118.64 0.44 21 0 "[ . 1 . 2 ]"
49 . 1 65 ASP N 1 65 ASP CA 1 65 ASP C 1 66 VAL N 116.87 177.75 148.64 161.43 127.20 0.91 2 0 "[ . 1 . 2 ]"
50 . 1 67 GLY C 1 68 THR N 1 68 THR CA 1 68 THR C -104.83 -44.83 -57.75 -66.09 -47.67 . . 0 "[ . 1 . 2 ]"
51 . 1 68 THR N 1 68 THR CA 1 68 THR C 1 69 TYR N 93.58 -178.58 110.98 122.98 118.29 . . 0 "[ . 1 . 2 ]"
52 . 1 68 THR C 1 69 TYR N 1 69 TYR CA 1 69 TYR C -162.18 -95.94 -162.23 -163.41 -157.55 1.23 2 0 "[ . 1 . 2 ]"
53 . 1 69 TYR N 1 69 TYR CA 1 69 TYR C 1 70 VAL N 132.35 -167.65 166.94 167.02 164.38 . . 0 "[ . 1 . 2 ]"
54 . 1 69 TYR C 1 70 VAL N 1 70 VAL CA 1 70 VAL C -163.14 -88.28 -151.14 -147.10 -149.50 . . 0 "[ . 1 . 2 ]"
55 . 1 70 VAL N 1 70 VAL CA 1 70 VAL C 1 71 GLY N 129.21 -170.79 -172.43 175.58 -170.11 0.68 20 0 "[ . 1 . 2 ]"
56 . 1 71 GLY C 1 72 VAL N 1 72 VAL CA 1 72 VAL C -172.66 -111.56 -172.54 -173.51 -163.39 0.85 8 0 "[ . 1 . 2 ]"
57 . 1 72 VAL N 1 72 VAL CA 1 72 VAL C 1 73 LYS N 116.90 176.90 119.41 116.20 122.61 0.70 13 0 "[ . 1 . 2 ]"
58 . 1 72 VAL C 1 73 LYS N 1 73 LYS CA 1 73 LYS C -165.41 -90.85 -89.29 -86.93 -88.91 3.92 2 0 "[ . 1 . 2 ]"
59 . 1 73 LYS N 1 73 LYS CA 1 73 LYS C 1 74 TYR N 115.83 175.83 149.71 140.93 160.82 . . 0 "[ . 1 . 2 ]"
60 . 1 73 LYS C 1 74 TYR N 1 74 TYR CA 1 74 TYR C -164.63 -54.75 -106.30 -111.81 -101.03 . . 0 "[ . 1 . 2 ]"
61 . 1 74 TYR N 1 74 TYR CA 1 74 TYR C 1 75 SER N 124.01 -172.53 -175.98 154.96 -172.27 0.26 9 0 "[ . 1 . 2 ]"
62 . 1 74 TYR C 1 75 SER N 1 75 SER CA 1 75 SER C -115.56 -55.56 -95.62 -64.68 -84.27 . . 0 "[ . 1 . 2 ]"
63 . 1 75 SER N 1 75 SER CA 1 75 SER C 1 76 ASN N -73.96 13.20 -40.24 -60.47 -24.32 . . 0 "[ . 1 . 2 ]"
64 . 1 77 PRO N 1 77 PRO CA 1 77 PRO C 1 78 ILE N 120.01 -179.99 131.02 119.77 142.07 0.24 12 0 "[ . 1 . 2 ]"
65 . 1 77 PRO C 1 78 ILE N 1 78 ILE CA 1 78 ILE C -164.58 -78.26 -137.87 -119.30 -124.91 . . 0 "[ . 1 . 2 ]"
66 . 1 78 ILE N 1 78 ILE CA 1 78 ILE C 1 79 THR N 129.51 -170.49 141.68 130.82 -170.43 0.06 1 0 "[ . 1 . 2 ]"
67 . 1 78 ILE C 1 79 THR N 1 79 THR CA 1 79 THR C -125.89 -43.89 -60.85 -63.42 -101.34 . . 0 "[ . 1 . 2 ]"
68 . 1 79 THR N 1 79 THR CA 1 79 THR C 1 80 LEU N 96.64 156.64 96.12 95.48 96.30 1.16 2 0 "[ . 1 . 2 ]"
69 . 1 79 THR C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -151.50 -42.46 -83.60 -96.96 -68.01 . . 0 "[ . 1 . 2 ]"
70 . 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 ASN N 94.31 165.21 109.78 94.18 151.86 0.13 17 0 "[ . 1 . 2 ]"
71 . 1 80 LEU C 1 81 ASN N 1 81 ASN CA 1 81 ASN C -129.78 -69.78 -77.64 -90.48 -113.16 0.27 13 0 "[ . 1 . 2 ]"
72 . 1 81 ASN N 1 81 ASN CA 1 81 ASN C 1 82 ASN N -64.42 -4.42 -30.64 -33.35 -34.72 . . 0 "[ . 1 . 2 ]"
73 . 1 81 ASN C 1 82 ASN N 1 82 ASN CA 1 82 ASN C 168.30 -120.64 -178.35 -171.70 -177.97 . . 0 "[ . 1 . 2 ]"
74 . 1 82 ASN N 1 82 ASN CA 1 82 ASN C 1 83 VAL N 130.38 -169.62 132.18 131.05 130.47 0.37 3 0 "[ . 1 . 2 ]"
75 . 1 82 ASN C 1 83 VAL N 1 83 VAL CA 1 83 VAL C -165.19 -105.19 -106.55 -105.59 -106.17 0.47 21 0 "[ . 1 . 2 ]"
76 . 1 83 VAL N 1 83 VAL CA 1 83 VAL C 1 84 GLU N 110.12 174.26 145.46 125.74 172.92 . . 0 "[ . 1 . 2 ]"
77 . 1 83 VAL C 1 84 GLU N 1 84 GLU CA 1 84 GLU C -151.44 -91.44 -150.50 -139.14 -147.12 0.29 18 0 "[ . 1 . 2 ]"
78 . 1 84 GLU N 1 84 GLU CA 1 84 GLU C 1 85 PHE N 105.90 165.90 117.39 111.78 105.89 0.45 18 0 "[ . 1 . 2 ]"
79 . 1 84 GLU C 1 85 PHE N 1 85 PHE CA 1 85 PHE C -148.63 -82.25 -101.07 -118.47 -86.90 . . 0 "[ . 1 . 2 ]"
80 . 1 85 PHE N 1 85 PHE CA 1 85 PHE C 1 86 LEU N 101.37 170.41 100.45 98.31 100.84 3.06 2 0 "[ . 1 . 2 ]"
81 . 1 85 PHE C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -125.11 -65.11 -85.91 -83.34 -83.83 . . 0 "[ . 1 . 2 ]"
82 . 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 MET N 88.40 168.42 92.66 87.29 105.92 1.11 4 0 "[ . 1 . 2 ]"
83 . 1 86 LEU C 1 87 MET N 1 87 MET CA 1 87 MET C -141.68 -80.54 -142.24 -142.92 -141.71 1.24 2 0 "[ . 1 . 2 ]"
84 . 1 87 MET N 1 87 MET CA 1 87 MET C 1 88 GLY N 101.43 -179.91 166.85 119.24 -179.62 0.29 6 0 "[ . 1 . 2 ]"
85 . 1 88 GLY C 1 89 ALA N 1 89 ALA CA 1 89 ALA C -142.91 -46.37 -139.03 -143.67 -47.57 0.76 2 0 "[ . 1 . 2 ]"
86 . 1 89 ALA N 1 89 ALA CA 1 89 ALA C 1 90 ASN N 131.43 -168.57 162.77 161.36 158.01 . . 0 "[ . 1 . 2 ]"
87 . 1 89 ALA C 1 90 ASN N 1 90 ASN CA 1 90 ASN C -87.16 -27.16 -77.93 -87.32 -57.47 0.16 21 0 "[ . 1 . 2 ]"
88 . 1 90 ASN N 1 90 ASN CA 1 90 ASN C 1 91 SER N -67.76 -7.76 -66.82 -69.60 -61.05 1.84 2 0 "[ . 1 . 2 ]"
89 . 1 90 ASN C 1 91 SER N 1 91 SER CA 1 91 SER C -103.27 -43.27 -103.97 -105.03 -103.39 1.76 2 0 "[ . 1 . 2 ]"
90 . 1 91 SER N 1 91 SER CA 1 91 SER C 1 92 ASN N -61.23 -1.23 -60.67 -61.65 -53.55 0.42 2 0 "[ . 1 . 2 ]"
91 . 1 91 SER C 1 92 ASN N 1 92 ASN CA 1 92 ASN C 163.74 -83.34 -95.32 -117.24 -87.32 . . 0 "[ . 1 . 2 ]"
92 . 1 92 ASN N 1 92 ASN CA 1 92 ASN C 1 93 PRO N 49.38 121.40 121.97 123.22 122.18 1.82 2 0 "[ . 1 . 2 ]"
93 . 1 93 PRO N 1 93 PRO CA 1 93 PRO C 1 94 ASN N -51.74 8.26 -23.03 -32.31 -16.53 . . 0 "[ . 1 . 2 ]"
94 . 1 93 PRO C 1 94 ASN N 1 94 ASN CA 1 94 ASN C -119.40 -59.40 -86.52 -72.89 -87.03 0.15 7 0 "[ . 1 . 2 ]"
95 . 1 94 ASN N 1 94 ASN CA 1 94 ASN C 1 95 ASP N -33.80 26.20 17.26 -32.35 26.50 0.30 14 0 "[ . 1 . 2 ]"
96 . 1 94 ASN C 1 95 ASP N 1 95 ASP CA 1 95 ASP C -113.01 -39.85 -98.81 -75.66 -92.21 0.27 4 0 "[ . 1 . 2 ]"
97 . 1 95 ASP N 1 95 ASP CA 1 95 ASP C 1 96 THR N 86.16 178.00 90.03 84.39 102.96 1.77 2 0 "[ . 1 . 2 ]"
98 . 1 95 ASP C 1 96 THR N 1 96 THR CA 1 96 THR C -176.03 -86.05 -176.50 -178.26 -176.10 2.23 2 0 "[ . 1 . 2 ]"
99 . 1 96 THR N 1 96 THR CA 1 96 THR C 1 97 MET N 134.63 -165.37 -165.25 -164.39 -164.71 0.98 2 0 "[ . 1 . 2 ]"
100 . 1 96 THR C 1 97 MET N 1 97 MET CA 1 97 MET C -142.61 -36.41 -42.20 -51.58 -37.60 . . 0 "[ . 1 . 2 ]"
101 . 1 97 MET N 1 97 MET CA 1 97 MET C 1 98 GLN N 133.63 -166.37 160.72 156.80 167.39 . . 0 "[ . 1 . 2 ]"
102 . 1 97 MET C 1 98 GLN N 1 98 GLN CA 1 98 GLN C -127.86 -29.26 -99.52 -104.74 -95.24 . . 0 "[ . 1 . 2 ]"
103 . 1 98 GLN N 1 98 GLN CA 1 98 GLN C 1 99 LYS N -67.83 19.23 -40.09 -34.35 -38.02 . . 0 "[ . 1 . 2 ]"
104 . 1 98 GLN C 1 99 LYS N 1 99 LYS CA 1 99 LYS C -174.38 -114.38 -176.45 -178.96 -175.14 4.58 2 0 "[ . 1 . 2 ]"
105 . 1 99 LYS N 1 99 LYS CA 1 99 LYS C 1 100 ALA N 123.86 -176.14 122.21 120.96 122.69 2.90 2 0 "[ . 1 . 2 ]"
106 . 1 100 ALA C 1 101 LYS N 1 101 LYS CA 1 101 LYS C 177.01 -105.95 -106.18 -103.55 -104.91 2.40 2 0 "[ . 1 . 2 ]"
107 . 1 101 LYS N 1 101 LYS CA 1 101 LYS C 1 102 ILE N 123.63 -176.37 175.76 166.29 -175.56 0.81 20 0 "[ . 1 . 2 ]"
108 . 1 101 LYS C 1 102 ILE N 1 102 ILE CA 1 102 ILE C -140.71 -67.21 -95.86 -104.43 -84.35 . . 0 "[ . 1 . 2 ]"
109 . 1 102 ILE N 1 102 ILE CA 1 102 ILE C 1 103 GLN N 102.31 162.31 162.04 162.97 162.66 1.10 20 0 "[ . 1 . 2 ]"
110 . 1 102 ILE C 1 103 GLN N 1 103 GLN CA 1 103 GLN C -166.78 -97.94 -131.70 -138.75 -118.85 . . 0 "[ . 1 . 2 ]"
111 . 1 103 GLN N 1 103 GLN CA 1 103 GLN C 1 104 TYR N 133.74 -166.26 -175.61 -172.51 -173.45 . . 0 "[ . 1 . 2 ]"
112 . 1 103 GLN C 1 104 TYR N 1 104 TYR CA 1 104 TYR C -175.28 -115.28 -172.39 -175.68 -164.22 0.40 2 0 "[ . 1 . 2 ]"
113 . 1 104 TYR N 1 104 TYR CA 1 104 TYR C 1 105 THR N 122.83 -177.17 146.01 143.95 137.60 . . 0 "[ . 1 . 2 ]"
114 . 1 104 TYR C 1 105 THR N 1 105 THR CA 1 105 THR C -153.99 -68.61 -103.58 -117.23 -92.25 . . 0 "[ . 1 . 2 ]"
115 . 1 105 THR N 1 105 THR CA 1 105 THR C 1 106 VAL N 75.33 179.11 139.37 147.51 142.00 . . 0 "[ . 1 . 2 ]"
116 . 1 105 THR C 1 106 VAL N 1 106 VAL CA 1 106 VAL C -91.22 -31.22 -88.77 -93.74 -76.99 2.52 2 0 "[ . 1 . 2 ]"
117 . 1 106 VAL N 1 106 VAL CA 1 106 VAL C 1 107 ASP N -60.86 -0.86 -57.62 -41.17 -57.82 0.24 16 0 "[ . 1 . 2 ]"
118 . 1 106 VAL C 1 107 ASP N 1 107 ASP CA 1 107 ASP C -121.74 -61.74 -100.05 -122.30 -94.41 0.56 2 0 "[ . 1 . 2 ]"
119 . 1 107 ASP N 1 107 ASP CA 1 107 ASP C 1 108 GLY N -22.31 37.69 33.23 31.17 31.15 . . 0 "[ . 1 . 2 ]"
120 . 1 109 ARG C 1 110 GLU N 1 110 GLU CA 1 110 GLU C -144.99 -75.77 -93.15 -109.14 -86.45 . . 0 "[ . 1 . 2 ]"
121 . 1 110 GLU N 1 110 GLU CA 1 110 GLU C 1 111 TRP N 75.62 166.30 161.85 150.71 166.38 0.08 19 0 "[ . 1 . 2 ]"
122 . 1 110 GLU C 1 111 TRP N 1 111 TRP CA 1 111 TRP C -145.85 -64.11 -129.61 -121.11 -124.65 . . 0 "[ . 1 . 2 ]"
123 . 1 111 TRP N 1 111 TRP CA 1 111 TRP C 1 112 ILE N 94.31 154.31 120.89 128.82 125.85 . . 0 "[ . 1 . 2 ]"
124 . 1 111 TRP C 1 112 ILE N 1 112 ILE CA 1 112 ILE C -140.12 -73.20 -113.58 -133.02 -102.41 . . 0 "[ . 1 . 2 ]"
125 . 1 112 ILE N 1 112 ILE CA 1 112 ILE C 1 113 ASP N 99.95 164.35 159.52 152.13 164.56 0.21 15 0 "[ . 1 . 2 ]"
126 . 1 112 ILE C 1 113 ASP N 1 113 ASP CA 1 113 ASP C -101.62 -41.62 -48.78 -57.07 -41.44 0.18 12 0 "[ . 1 . 2 ]"
127 . 1 113 ASP N 1 113 ASP CA 1 113 ASP C 1 114 LEU N 102.31 162.31 150.89 139.86 155.46 . . 0 "[ . 1 . 2 ]"
128 . 1 113 ASP C 1 114 LEU N 1 114 LEU CA 1 114 LEU C -128.38 -66.14 -125.26 -118.00 -121.93 0.36 13 0 "[ . 1 . 2 ]"
129 . 1 114 LEU N 1 114 LEU CA 1 114 LEU C 1 115 GLU N -66.79 -6.79 -57.80 -59.64 -64.92 0.10 4 0 "[ . 1 . 2 ]"
130 . 1 115 GLU C 1 116 GLU N 1 116 GLU CA 1 116 GLU C -90.29 -30.29 -47.49 -67.91 -42.83 . . 0 "[ . 1 . 2 ]"
131 . 1 116 GLU N 1 116 GLU CA 1 116 GLU C 1 117 GLY N 105.67 165.67 161.83 168.76 167.10 3.09 2 0 "[ . 1 . 2 ]"
132 . 1 117 GLY C 1 118 VAL N 1 118 VAL CA 1 118 VAL C -105.87 -45.87 -81.23 -86.98 -75.93 . . 0 "[ . 1 . 2 ]"
133 . 1 118 VAL N 1 118 VAL CA 1 118 VAL C 1 119 GLU N 110.85 170.85 159.96 157.37 171.65 0.80 21 0 "[ . 1 . 2 ]"
134 . 1 118 VAL C 1 119 GLU N 1 119 GLU CA 1 119 GLU C -152.70 -92.70 -108.08 -119.75 -104.87 . . 0 "[ . 1 . 2 ]"
135 . 1 119 GLU C 1 120 TYR N 1 120 TYR CA 1 120 TYR C -142.26 -70.68 -70.84 -76.67 -70.12 0.56 20 0 "[ . 1 . 2 ]"
136 . 1 121 THR C 1 122 MET N 1 122 MET CA 1 122 MET C -154.53 -52.65 -135.38 -128.11 -129.25 . . 0 "[ . 1 . 2 ]"
137 . 1 123 PRO N 1 123 PRO CA 1 123 PRO C 1 124 GLY N 98.68 -166.16 103.24 98.13 131.86 0.55 20 0 "[ . 1 . 2 ]"
138 . 1 124 GLY C 1 125 ALA N 1 125 ALA CA 1 125 ALA C -141.59 -48.73 -142.23 -142.58 -141.80 0.99 2 0 "[ . 1 . 2 ]"
139 . 1 125 ALA N 1 125 ALA CA 1 125 ALA C 1 126 ILE N 92.41 158.19 111.32 103.63 130.05 . . 0 "[ . 1 . 2 ]"
140 . 1 125 ALA C 1 126 ILE N 1 126 ILE CA 1 126 ILE C -152.63 -92.63 -97.94 -91.71 -92.22 0.92 2 0 "[ . 1 . 2 ]"
141 . 1 126 ILE N 1 126 ILE CA 1 126 ILE C 1 127 LYS N 101.29 161.29 132.31 131.86 130.64 . . 0 "[ . 1 . 2 ]"
142 . 1 126 ILE C 1 127 LYS N 1 127 LYS CA 1 127 LYS C -158.87 -86.05 -154.87 -153.29 -154.84 0.35 11 0 "[ . 1 . 2 ]"
143 . 1 127 LYS N 1 127 LYS CA 1 127 LYS C 1 128 VAL N 102.67 162.67 147.61 108.14 162.83 0.16 17 0 "[ . 1 . 2 ]"
144 . 1 127 LYS C 1 128 VAL N 1 128 VAL CA 1 128 VAL C -159.32 -77.42 -131.39 -124.04 -130.80 0.04 11 0 "[ . 1 . 2 ]"
145 . 1 128 VAL N 1 128 VAL CA 1 128 VAL C 1 129 GLU N 95.83 155.83 126.87 95.54 155.98 0.29 16 0 "[ . 1 . 2 ]"
146 . 1 128 VAL C 1 129 GLU N 1 129 GLU CA 1 129 GLU C -161.12 -88.72 -106.39 -114.31 -126.76 0.19 12 0 "[ . 1 . 2 ]"
147 . 1 129 GLU N 1 129 GLU CA 1 129 GLU C 1 130 ASN N 132.05 -167.95 166.84 148.25 -171.18 . . 0 "[ . 1 . 2 ]"
148 . 1 129 GLU C 1 130 ASN N 1 130 ASN CA 1 130 ASN C 23.11 83.11 58.35 54.40 44.29 . . 0 "[ . 1 . 2 ]"
149 . 1 130 ASN N 1 130 ASN CA 1 130 ASN C 1 131 LEU N 11.30 71.30 38.17 41.48 35.41 . . 0 "[ . 1 . 2 ]"
150 . 1 131 LEU C 1 132 ASP N 1 132 ASP CA 1 132 ASP C -130.72 -54.96 -69.00 -115.71 -54.55 0.41 10 0 "[ . 1 . 2 ]"
151 . 1 132 ASP N 1 132 ASP CA 1 132 ASP C 1 133 LEU N 90.15 -175.87 90.04 90.70 90.19 1.49 20 0 "[ . 1 . 2 ]"
152 . 1 132 ASP C 1 133 LEU N 1 133 LEU CA 1 133 LEU C -155.44 -95.26 -156.05 -155.98 -156.08 1.39 20 0 "[ . 1 . 2 ]"
153 . 1 133 LEU N 1 133 LEU CA 1 133 LEU C 1 134 LYS N 105.39 165.39 128.47 134.86 131.55 . . 0 "[ . 1 . 2 ]"
154 . 1 133 LEU C 1 134 LYS N 1 134 LYS CA 1 134 LYS C -154.20 -54.44 -54.71 -58.02 -54.21 0.23 5 0 "[ . 1 . 2 ]"
155 . 1 134 LYS N 1 134 LYS CA 1 134 LYS C 1 135 VAL N 98.04 170.38 134.74 125.52 143.47 . . 0 "[ . 1 . 2 ]"
156 . 1 134 LYS C 1 135 VAL N 1 135 VAL CA 1 135 VAL C -165.38 -101.68 -150.55 -148.45 -149.91 . . 0 "[ . 1 . 2 ]"
157 . 1 135 VAL N 1 135 VAL CA 1 135 VAL C 1 136 ARG N 135.54 -164.46 163.19 149.68 171.47 . . 0 "[ . 1 . 2 ]"
158 . 1 135 VAL C 1 136 ARG N 1 136 ARG CA 1 136 ARG C 173.50 -74.64 -112.97 -109.63 -110.78 . . 0 "[ . 1 . 2 ]"
159 . 1 136 ARG N 1 136 ARG CA 1 136 ARG C 1 137 GLY N 131.06 -168.94 127.67 122.87 128.54 8.19 2 1 "[ + . 1 . 2 ]"
160 . 1 137 GLY C 1 138 VAL N 1 138 VAL CA 1 138 VAL C -162.98 -102.98 -156.23 -163.09 -149.29 0.11 6 0 "[ . 1 . 2 ]"
161 . 1 138 VAL N 1 138 VAL CA 1 138 VAL C 1 139 ARG N 129.71 -170.29 151.76 149.66 148.91 . . 0 "[ . 1 . 2 ]"
162 . 1 138 VAL C 1 139 ARG N 1 139 ARG CA 1 139 ARG C -173.20 -94.98 -173.26 -173.96 -174.12 0.92 1 0 "[ . 1 . 2 ]"
163 . 1 139 ARG N 1 139 ARG CA 1 139 ARG C 1 140 LEU N 103.05 163.05 159.30 144.43 163.54 0.49 3 0 "[ . 1 . 2 ]"
164 . 1 139 ARG C 1 140 LEU N 1 140 LEU CA 1 140 LEU C -141.15 -78.95 -100.16 -88.93 -90.60 . . 0 "[ . 1 . 2 ]"
165 . 1 140 LEU N 1 140 LEU CA 1 140 LEU C 1 141 ILE N 97.54 157.54 159.10 161.51 159.69 3.97 2 0 "[ . 1 . 2 ]"
166 . 1 140 LEU C 1 141 ILE N 1 141 ILE CA 1 141 ILE C -153.51 -93.51 -128.61 -126.58 -128.33 . . 0 "[ . 1 . 2 ]"
167 . 1 141 ILE N 1 141 ILE CA 1 141 ILE C 1 142 ALA N 113.29 173.29 120.90 118.51 118.37 0.27 5 0 "[ . 1 . 2 ]"
168 . 1 141 ILE C 1 142 ALA N 1 142 ALA CA 1 142 ALA C -110.52 -50.52 -85.42 -82.18 -88.77 0.42 10 0 "[ . 1 . 2 ]"
169 . 1 142 ALA N 1 142 ALA CA 1 142 ALA C 1 143 THR N 105.69 165.69 150.20 120.26 165.81 0.12 15 0 "[ . 1 . 2 ]"
170 . 1 142 ALA C 1 143 THR N 1 143 THR CA 1 143 THR C -127.46 -67.32 -124.35 -127.89 -94.76 0.43 18 0 "[ . 1 . 2 ]"
171 . 1 143 THR C 1 144 GLU N 1 144 GLU CA 1 144 GLU C 177.72 -122.28 -162.49 -159.63 -171.56 0.06 8 0 "[ . 1 . 2 ]"
172 . 1 145 ALA N 1 145 ALA CA 1 145 ALA C 1 146 ARG N 100.10 178.48 172.26 159.93 178.83 0.35 1 0 "[ . 1 . 2 ]"
173 . 1 145 ALA C 1 146 ARG N 1 146 ARG CA 1 146 ARG C -164.55 -104.55 -128.82 -142.71 -111.70 . . 0 "[ . 1 . 2 ]"
174 . 1 146 ARG N 1 146 ARG CA 1 146 ARG C 1 147 GLU N 114.41 174.41 160.15 160.41 158.88 0.07 4 0 "[ . 1 . 2 ]"
175 . 1 146 ARG C 1 147 GLU N 1 147 GLU CA 1 147 GLU C -171.19 -71.61 -87.02 -123.17 -71.54 0.07 13 0 "[ . 1 . 2 ]"
176 . 1 147 GLU N 1 147 GLU CA 1 147 GLU C 1 148 ASN N 96.79 179.03 152.89 139.96 162.79 . . 0 "[ . 1 . 2 ]"
177 . 1 149 THR C 1 150 TRP N 1 150 TRP CA 1 150 TRP C -158.75 -89.69 -100.10 -110.82 -117.02 0.02 5 0 "[ . 1 . 2 ]"
178 . 1 150 TRP N 1 150 TRP CA 1 150 TRP C 1 151 LEU N 126.74 -173.26 -173.32 -173.27 -174.32 0.63 9 0 "[ . 1 . 2 ]"
179 . 1 150 TRP C 1 151 LEU N 1 151 LEU CA 1 151 LEU C -150.84 -73.76 -134.16 -133.64 -133.80 0.00 8 0 "[ . 1 . 2 ]"
180 . 1 151 LEU N 1 151 LEU CA 1 151 LEU C 1 152 GLY N 99.14 159.14 100.19 97.56 111.79 1.58 2 0 "[ . 1 . 2 ]"
181 . 1 152 GLY C 1 153 VAL N 1 153 VAL CA 1 153 VAL C -148.91 -64.97 -121.13 -100.25 -110.10 0.57 7 0 "[ . 1 . 2 ]"
182 . 1 153 VAL N 1 153 VAL CA 1 153 VAL C 1 154 ARG N 92.12 176.88 143.58 118.77 154.62 . . 0 "[ . 1 . 2 ]"
183 . 1 153 VAL C 1 154 ARG N 1 154 ARG CA 1 154 ARG C -124.15 -40.49 -115.76 -93.87 -105.44 0.15 7 0 "[ . 1 . 2 ]"
184 . 1 154 ARG N 1 154 ARG CA 1 154 ARG C 1 155 ASP N -59.60 15.92 -39.60 -40.69 -44.06 . . 0 "[ . 1 . 2 ]"
185 . 1 156 ILE C 1 157 ASN N 1 157 ASN CA 1 157 ASN C -139.41 -78.71 -130.47 -111.24 -119.86 1.20 14 0 "[ . 1 . 2 ]"
186 . 1 157 ASN N 1 157 ASN CA 1 157 ASN C 1 158 VAL N 87.07 154.41 149.07 126.46 154.96 0.55 14 0 "[ . 1 . 2 ]"
187 . 1 157 ASN C 1 158 VAL N 1 158 VAL CA 1 158 VAL C -169.80 -104.26 -133.02 -161.77 -104.11 0.15 18 0 "[ . 1 . 2 ]"
188 . 1 158 VAL N 1 158 VAL CA 1 158 VAL C 1 159 ASN N 92.55 152.55 131.92 138.08 132.97 0.17 16 0 "[ . 1 . 2 ]"
189 . 1 158 VAL C 1 159 ASN N 1 159 ASN CA 1 159 ASN C 40.13 108.41 65.25 45.58 79.86 . . 0 "[ . 1 . 2 ]"
190 . 1 159 ASN N 1 159 ASN CA 1 159 ASN C 1 160 LYS N -35.87 76.55 43.60 -2.32 76.85 0.30 12 0 "[ . 1 . 2 ]"
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