NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
376675 |
1fnx   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1fnx
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 209
_TA_constraint_stats_list.Viol_count 944
_TA_constraint_stats_list.Viol_total 7275.86
_TA_constraint_stats_list.Viol_max 11.37
_TA_constraint_stats_list.Viol_rms 0.33
_TA_constraint_stats_list.Viol_average_all_restraints 0.08
_TA_constraint_stats_list.Viol_average_violations_only 0.37
_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 . 2 7 LEU C 2 8 ILE N 2 8 ILE CA 2 8 ILE C -160.00 -80.00 -109.71 -128.94 -86.72 . . 0 "[ . 1 . 2 ]"
2 . 2 8 ILE C 2 9 VAL N 2 9 VAL CA 2 9 VAL C -160.00 -80.00 -105.53 -89.67 -95.31 . . 0 "[ . 1 . 2 ]"
3 . 2 9 VAL C 2 10 ASN N 2 10 ASN CA 2 10 ASN C -160.00 -80.00 -94.55 -110.00 -79.88 0.12 14 0 "[ . 1 . 2 ]"
4 . 2 16 MET C 2 17 THR N 2 17 THR CA 2 17 THR C -160.00 -80.00 -99.84 -105.11 -107.16 . . 0 "[ . 1 . 2 ]"
5 . 2 37 VAL C 2 38 ARG N 2 38 ARG CA 2 38 ARG C -160.00 -80.00 -142.26 -160.23 -88.91 0.23 9 0 "[ . 1 . 2 ]"
6 . 2 40 LYS C 2 41 ILE N 2 41 ILE CA 2 41 ILE C -160.00 -80.00 -119.83 -145.00 -79.80 0.20 5 0 "[ . 1 . 2 ]"
7 . 2 45 SER C 2 46 LEU N 2 46 LEU CA 2 46 LEU C -160.00 -80.00 -89.20 -151.74 -77.88 2.12 21 0 "[ . 1 . 2 ]"
8 . 2 49 GLY C 2 50 PHE N 2 50 PHE CA 2 50 PHE C -160.00 -80.00 -136.06 -135.46 -140.50 . . 0 "[ . 1 . 2 ]"
9 . 2 50 PHE C 2 51 VAL N 2 51 VAL CA 2 51 VAL C -160.00 -80.00 -131.33 -142.38 -123.70 . . 0 "[ . 1 . 2 ]"
10 . 2 51 VAL C 2 52 ASN N 2 52 ASN CA 2 52 ASN C -160.00 -80.00 -109.14 -121.27 -82.02 . . 0 "[ . 1 . 2 ]"
11 . 2 52 ASN C 2 53 TYR N 2 53 TYR CA 2 53 TYR C -160.00 -80.00 -101.15 -127.43 -80.89 . . 0 "[ . 1 . 2 ]"
12 . 2 64 ASN C 2 65 THR N 2 65 THR CA 2 65 THR C -160.00 -80.00 -116.70 -160.76 -89.86 0.76 19 0 "[ . 1 . 2 ]"
13 . 2 65 THR C 2 66 LEU N 2 66 LEU CA 2 66 LEU C -160.00 -80.00 -96.97 -111.11 -81.44 . . 0 "[ . 1 . 2 ]"
14 . 2 67 ASN C 2 68 GLY N 2 68 GLY CA 2 68 GLY C 80.00 160.00 139.97 160.01 153.88 0.15 4 0 "[ . 1 . 2 ]"
15 . 2 70 LYS C 2 71 LEU N 2 71 LEU CA 2 71 LEU C -160.00 -80.00 -108.33 -152.84 -88.55 . . 0 "[ . 1 . 2 ]"
16 . 2 73 THR C 2 74 LYS N 2 74 LYS CA 2 74 LYS C -160.00 -80.00 -145.07 -148.84 -149.51 0.03 19 0 "[ . 1 . 2 ]"
17 . 2 74 LYS C 2 75 THR N 2 75 THR CA 2 75 THR C -160.00 -80.00 -110.04 -139.60 -83.87 . . 0 "[ . 1 . 2 ]"
18 . 2 77 LYS C 2 78 VAL N 2 78 VAL CA 2 78 VAL C -160.00 -80.00 -91.16 -112.53 -79.77 0.23 8 0 "[ . 1 . 2 ]"
19 . 2 78 VAL C 2 79 SER N 2 79 SER CA 2 79 SER C -160.00 -80.00 -139.35 -142.15 -145.52 0.13 17 0 "[ . 1 . 2 ]"
20 . 2 11 TYR C 2 12 LEU N 2 12 LEU CA 2 12 LEU C -90.00 -40.00 -78.77 -74.78 -81.44 0.25 8 0 "[ . 1 . 2 ]"
21 . 2 13 PRO C 2 14 GLN N 2 14 GLN CA 2 14 GLN C -90.00 -40.00 -44.13 -64.24 -39.12 0.88 21 0 "[ . 1 . 2 ]"
22 . 2 15 ASN C 2 16 MET N 2 16 MET CA 2 16 MET C -90.00 -40.00 -84.55 -90.27 -66.07 0.27 7 0 "[ . 1 . 2 ]"
23 . 2 19 ASP C 2 20 GLU N 2 20 GLU CA 2 20 GLU C -90.00 -40.00 -58.96 -65.10 -52.89 . . 0 "[ . 1 . 2 ]"
24 . 2 20 GLU C 2 21 PHE N 2 21 PHE CA 2 21 PHE C -90.00 -40.00 -52.47 -57.28 -45.72 . . 0 "[ . 1 . 2 ]"
25 . 2 22 LYS C 2 23 SER N 2 23 SER CA 2 23 SER C -90.00 -40.00 -53.76 -67.65 -42.98 . . 0 "[ . 1 . 2 ]"
26 . 2 23 SER C 2 24 LEU N 2 24 LEU CA 2 24 LEU C -90.00 -40.00 -50.21 -49.29 -50.12 . . 0 "[ . 1 . 2 ]"
27 . 2 24 LEU C 2 25 PHE N 2 25 PHE CA 2 25 PHE C -90.00 -40.00 -77.58 -90.13 -64.70 0.13 6 0 "[ . 1 . 2 ]"
28 . 2 26 GLY C 2 27 SER N 2 27 SER CA 2 27 SER C -90.00 -40.00 -79.47 -78.47 -80.66 0.26 10 0 "[ . 1 . 2 ]"
29 . 2 29 GLY C 2 30 ASP N 2 30 ASP CA 2 30 ASP C -90.00 -40.00 -73.03 -67.46 -69.81 0.18 5 0 "[ . 1 . 2 ]"
30 . 2 38 ARG C 2 39 ASP N 2 39 ASP CA 2 39 ASP C -90.00 -40.00 -76.01 -79.22 -83.69 0.12 1 0 "[ . 1 . 2 ]"
31 . 2 53 TYR C 2 54 SER N 2 54 SER CA 2 54 SER C -90.00 -40.00 -65.88 -71.23 -76.08 0.08 18 0 "[ . 1 . 2 ]"
32 . 2 58 ASP C 2 59 ALA N 2 59 ALA CA 2 59 ALA C -90.00 -40.00 -69.40 -70.21 -70.50 . . 0 "[ . 1 . 2 ]"
33 . 2 59 ALA C 2 60 ASP N 2 60 ASP CA 2 60 ASP C -90.00 -40.00 -73.79 -72.24 -76.41 . . 0 "[ . 1 . 2 ]"
34 . 2 60 ASP C 2 61 LYS N 2 61 LYS CA 2 61 LYS C -90.00 -40.00 -57.32 -69.20 -52.15 . . 0 "[ . 1 . 2 ]"
35 . 2 61 LYS C 2 62 ALA N 2 62 ALA CA 2 62 ALA C -90.00 -40.00 -61.76 -58.50 -59.68 . . 0 "[ . 1 . 2 ]"
36 . 2 63 ILE C 2 64 ASN N 2 64 ASN CA 2 64 ASN C -90.00 -40.00 -52.13 -73.46 -39.84 0.16 11 0 "[ . 1 . 2 ]"
37 . 2 66 LEU C 2 67 ASN N 2 67 ASN CA 2 67 ASN C -90.00 -40.00 -80.86 -90.67 -66.37 0.67 5 0 "[ . 1 . 2 ]"
38 . 2 68 GLY C 2 69 LEU N 2 69 LEU CA 2 69 LEU C -90.00 -40.00 -87.94 -84.25 -86.84 0.39 16 0 "[ . 1 . 2 ]"
39 . 2 69 LEU C 2 70 LYS N 2 70 LYS CA 2 70 LYS C -90.00 -40.00 -79.95 -90.28 -63.76 0.28 4 0 "[ . 1 . 2 ]"
40 . 2 79 SER C 2 80 TYR N 2 80 TYR CA 2 80 TYR C -90.00 -40.00 -87.11 -90.87 -76.70 0.87 21 0 "[ . 1 . 2 ]"
41 . 2 90 ASP C 2 91 ALA N 2 91 ALA CA 2 91 ALA C -160.00 -80.00 -137.00 -160.37 -102.42 0.37 5 0 "[ . 1 . 2 ]"
42 . 2 91 ALA C 2 92 ASN N 2 92 ASN CA 2 92 ASN C -160.00 -80.00 -97.06 -124.38 -79.75 0.25 1 0 "[ . 1 . 2 ]"
43 . 2 92 ASN C 2 93 LEU N 2 93 LEU CA 2 93 LEU C -160.00 -80.00 -117.33 -119.12 -122.05 . . 0 "[ . 1 . 2 ]"
44 . 2 93 LEU C 2 94 TYR N 2 94 TYR CA 2 94 TYR C -160.00 -80.00 -115.00 -129.87 -94.50 . . 0 "[ . 1 . 2 ]"
45 . 2 94 TYR C 2 95 VAL N 2 95 VAL CA 2 95 VAL C -160.00 -80.00 -123.14 -142.43 -107.64 . . 0 "[ . 1 . 2 ]"
46 . 2 95 VAL C 2 96 SER N 2 96 SER CA 2 96 SER C -160.00 -80.00 -115.41 -127.92 -99.83 . . 0 "[ . 1 . 2 ]"
47 . 2 100 LYS C 2 101 THR N 2 101 THR CA 2 101 THR C -160.00 -80.00 -87.87 -83.04 -85.61 0.11 13 0 "[ . 1 . 2 ]"
48 . 2 102 MET C 2 103 SER N 2 103 SER CA 2 103 SER C -160.00 -80.00 -87.49 -85.11 -87.56 0.10 5 0 "[ . 1 . 2 ]"
49 . 2 113 GLN C 2 114 TYR N 2 114 TYR CA 2 114 TYR C -160.00 -80.00 -80.08 -83.47 -79.01 0.99 21 0 "[ . 1 . 2 ]"
50 . 2 116 ARG C 2 117 ILE N 2 117 ILE CA 2 117 ILE C -160.00 -80.00 -80.54 -93.10 -76.84 3.16 21 0 "[ . 1 . 2 ]"
51 . 2 117 ILE C 2 118 ILE N 2 118 ILE CA 2 118 ILE C -160.00 -80.00 -84.83 -95.43 -79.67 0.33 15 0 "[ . 1 . 2 ]"
52 . 2 119 THR C 2 120 SER N 2 120 SER CA 2 120 SER C -160.00 -80.00 -123.45 -160.36 -100.94 0.36 18 0 "[ . 1 . 2 ]"
53 . 2 121 ARG C 2 122 ILE N 2 122 ILE CA 2 122 ILE C -160.00 -80.00 -129.33 -144.61 -110.57 . . 0 "[ . 1 . 2 ]"
54 . 2 122 ILE C 2 123 LEU N 2 123 LEU CA 2 123 LEU C -160.00 -80.00 -100.83 -137.88 -79.99 0.01 13 0 "[ . 1 . 2 ]"
55 . 2 123 LEU C 2 124 LEU N 2 124 LEU CA 2 124 LEU C -160.00 -80.00 -160.37 -160.66 -160.71 3.33 21 0 "[ . 1 . 2 ]"
56 . 2 127 ALA C 2 128 THR N 2 128 THR CA 2 128 THR C -160.00 -80.00 -110.50 -152.78 -90.05 . . 0 "[ . 1 . 2 ]"
57 . 2 128 THR C 2 129 GLY N 2 129 GLY CA 2 129 GLY C -160.00 -80.00 -131.10 -158.86 -82.29 . . 0 "[ . 1 . 2 ]"
58 . 2 129 GLY C 2 130 VAL N 2 130 VAL CA 2 130 VAL C -160.00 -80.00 -151.86 -147.89 -149.90 . . 0 "[ . 1 . 2 ]"
59 . 2 131 SER C 2 132 ARG N 2 132 ARG CA 2 132 ARG C -160.00 -80.00 -110.08 -90.91 -119.08 0.48 16 0 "[ . 1 . 2 ]"
60 . 2 133 GLY C 2 134 VAL N 2 134 VAL CA 2 134 VAL C -160.00 -80.00 -123.25 -142.26 -79.76 0.24 16 0 "[ . 1 . 2 ]"
61 . 2 135 GLY C 2 136 PHE N 2 136 PHE CA 2 136 PHE C -160.00 -80.00 -136.39 -133.78 -135.30 . . 0 "[ . 1 . 2 ]"
62 . 2 136 PHE C 2 137 ILE N 2 137 ILE CA 2 137 ILE C -160.00 -80.00 -135.73 -140.55 -126.88 . . 0 "[ . 1 . 2 ]"
63 . 2 137 ILE C 2 138 ARG N 2 138 ARG CA 2 138 ARG C -160.00 -80.00 -91.47 -114.53 -79.37 0.63 21 0 "[ . 1 . 2 ]"
64 . 2 138 ARG C 2 139 PHE N 2 139 PHE CA 2 139 PHE C -160.00 -80.00 -80.25 -85.92 -78.92 1.08 21 0 "[ . 1 . 2 ]"
65 . 2 151 GLY C 2 152 LEU N 2 152 LEU CA 2 152 LEU C -160.00 -80.00 -120.77 -122.85 -125.75 . . 0 "[ . 1 . 2 ]"
66 . 2 153 ASN C 2 154 GLY N 2 154 GLY CA 2 154 GLY C -160.00 -80.00 -97.53 -136.73 -78.56 1.44 6 0 "[ . 1 . 2 ]"
67 . 2 154 GLY C 2 155 GLN N 2 155 GLN CA 2 155 GLN C -160.00 -80.00 -117.49 -87.03 -156.20 4.78 21 0 "[ . 1 . 2 ]"
68 . 2 155 GLN C 2 156 LYS N 2 156 LYS CA 2 156 LYS C -160.00 -80.00 -118.93 -124.23 -132.34 0.09 13 0 "[ . 1 . 2 ]"
69 . 2 161 ALA C 2 162 GLU N 2 162 GLU CA 2 162 GLU C -160.00 -80.00 -146.83 -141.53 -145.94 1.21 21 0 "[ . 1 . 2 ]"
70 . 2 164 ILE C 2 165 THR N 2 165 THR CA 2 165 THR C -160.00 -80.00 -132.10 -132.82 -133.31 1.09 21 0 "[ . 1 . 2 ]"
71 . 2 165 THR C 2 166 VAL N 2 166 VAL CA 2 166 VAL C -160.00 -80.00 -118.69 -134.54 -104.30 . . 0 "[ . 1 . 2 ]"
72 . 2 166 VAL C 2 167 LYS N 2 167 LYS CA 2 167 LYS C -160.00 -80.00 -154.25 -160.18 -132.19 0.18 13 0 "[ . 1 . 2 ]"
73 . 2 172 PRO C 2 173 SER N 2 173 SER CA 2 173 SER C -160.00 -80.00 -101.42 -160.21 -79.76 0.24 8 0 "[ . 1 . 2 ]"
74 . 2 173 SER C 2 174 GLN N 2 174 GLN CA 2 174 GLN C -160.00 -80.00 -138.51 -160.20 -81.18 0.20 7 0 "[ . 1 . 2 ]"
75 . 2 104 GLN C 2 105 LYS N 2 105 LYS CA 2 105 LYS C -90.00 -40.00 -57.08 -67.49 -47.59 . . 0 "[ . 1 . 2 ]"
76 . 2 108 GLU C 2 109 GLN N 2 109 GLN CA 2 109 GLN C -90.00 -40.00 -59.20 -64.85 -47.64 . . 0 "[ . 1 . 2 ]"
77 . 2 109 GLN C 2 110 LEU N 2 110 LEU CA 2 110 LEU C -90.00 -40.00 -67.32 -70.21 -71.35 . . 0 "[ . 1 . 2 ]"
78 . 2 111 PHE C 2 112 SER N 2 112 SER CA 2 112 SER C -90.00 -40.00 -54.28 -54.31 -54.94 . . 0 "[ . 1 . 2 ]"
79 . 2 112 SER C 2 113 GLN N 2 113 GLN CA 2 113 GLN C -90.00 -40.00 -59.24 -66.36 -54.63 . . 0 "[ . 1 . 2 ]"
80 . 2 130 VAL C 2 131 SER N 2 131 SER CA 2 131 SER C -90.00 -40.00 -81.74 -90.14 -64.14 0.14 5 0 "[ . 1 . 2 ]"
81 . 2 144 GLU C 2 145 ALA N 2 145 ALA CA 2 145 ALA C -90.00 -40.00 -64.97 -65.78 -65.81 . . 0 "[ . 1 . 2 ]"
82 . 2 145 ALA C 2 146 GLU N 2 146 GLU CA 2 146 GLU C -90.00 -40.00 -55.30 -55.52 -56.12 . . 0 "[ . 1 . 2 ]"
83 . 2 148 ALA C 2 149 ILE N 2 149 ILE CA 2 149 ILE C -90.00 -40.00 -48.20 -47.25 -48.91 . . 0 "[ . 1 . 2 ]"
84 . 2 149 ILE C 2 150 LYS N 2 150 LYS CA 2 150 LYS C -90.00 -40.00 -57.14 -66.36 -50.03 . . 0 "[ . 1 . 2 ]"
85 . 2 152 LEU C 2 153 ASN N 2 153 ASN CA 2 153 ASN C -90.00 -40.00 -47.92 -51.18 -56.01 2.15 21 0 "[ . 1 . 2 ]"
86 . 2 157 PRO C 2 158 LEU N 2 158 LEU CA 2 158 LEU C -90.00 -40.00 -52.38 -54.26 -55.89 . . 0 "[ . 1 . 2 ]"
87 . 2 2 ASP N 2 2 ASP CA 2 2 ASP CB 2 2 ASP CG 40.00 80.00 46.37 46.28 42.04 0.44 7 0 "[ . 1 . 2 ]"
88 . 2 15 ASN N 2 15 ASN CA 2 15 ASN CB 2 15 ASN CG 40.00 80.00 55.16 39.70 76.17 0.30 13 0 "[ . 1 . 2 ]"
89 . 2 19 ASP N 2 19 ASP CA 2 19 ASP CB 2 19 ASP CG 40.00 80.00 41.72 39.83 45.76 0.17 6 0 "[ . 1 . 2 ]"
90 . 2 60 ASP N 2 60 ASP CA 2 60 ASP CB 2 60 ASP CG 40.00 80.00 75.96 49.64 81.32 1.32 21 0 "[ . 1 . 2 ]"
91 . 2 7 LEU N 2 7 LEU CA 2 7 LEU CB 2 7 LEU CG -80.00 -40.00 -73.38 -79.94 -80.05 0.36 5 0 "[ . 1 . 2 ]"
92 . 2 11 TYR N 2 11 TYR CA 2 11 TYR CB 2 11 TYR CG -80.00 -40.00 -58.17 -63.62 -68.35 0.10 14 0 "[ . 1 . 2 ]"
93 . 2 12 LEU N 2 12 LEU CA 2 12 LEU CB 2 12 LEU CG -80.00 -40.00 -75.30 -80.42 -57.24 0.42 2 0 "[ . 1 . 2 ]"
94 . 2 25 PHE N 2 25 PHE CA 2 25 PHE CB 2 25 PHE CG -80.00 -40.00 -80.52 -80.63 -80.84 2.28 21 0 "[ . 1 . 2 ]"
95 . 2 34 CYS N 2 34 CYS CA 2 34 CYS CB 2 34 CYS SG -80.00 -40.00 -47.85 -46.33 -49.48 0.31 5 0 "[ . 1 . 2 ]"
96 . 2 46 LEU N 2 46 LEU CA 2 46 LEU CB 2 46 LEU CG -80.00 -40.00 -76.15 -76.12 -78.47 1.40 5 0 "[ . 1 . 2 ]"
97 . 2 50 PHE N 2 50 PHE CA 2 50 PHE CB 2 50 PHE CG -80.00 -40.00 -42.44 -39.47 -39.54 1.23 8 0 "[ . 1 . 2 ]"
98 . 2 53 TYR N 2 53 TYR CA 2 53 TYR CB 2 53 TYR CG -80.00 -40.00 -74.59 -80.54 -65.47 0.54 6 0 "[ . 1 . 2 ]"
99 . 2 66 LEU N 2 66 LEU CA 2 66 LEU CB 2 66 LEU CG -80.00 -40.00 -46.93 -71.20 -39.65 0.35 15 0 "[ . 1 . 2 ]"
100 . 2 69 LEU N 2 69 LEU CA 2 69 LEU CB 2 69 LEU CG -80.00 -40.00 -76.18 -80.43 -51.08 0.43 21 0 "[ . 1 . 2 ]"
101 . 2 71 LEU N 2 71 LEU CA 2 71 LEU CB 2 71 LEU CG -80.00 -40.00 -71.42 -66.50 -68.59 0.24 15 0 "[ . 1 . 2 ]"
102 . 2 74 LYS N 2 74 LYS CA 2 74 LYS CB 2 74 LYS CG -80.00 -40.00 -77.35 -80.41 -80.98 0.98 1 0 "[ . 1 . 2 ]"
103 . 2 80 TYR N 2 80 TYR CA 2 80 TYR CB 2 80 TYR CG -80.00 -40.00 -55.29 -80.50 -39.67 0.50 17 0 "[ . 1 . 2 ]"
104 . 2 3 SER N 2 3 SER CA 2 3 SER CB 2 3 SER OG 160.00 -160.00 -179.48 175.27 168.98 0.40 21 0 "[ . 1 . 2 ]"
105 . 2 16 MET N 2 16 MET CA 2 16 MET CB 2 16 MET CG 160.00 -160.00 -165.03 -179.05 -159.84 0.16 12 0 "[ . 1 . 2 ]"
106 . 2 21 PHE N 2 21 PHE CA 2 21 PHE CB 2 21 PHE CG 160.00 -160.00 177.67 169.11 164.93 . . 0 "[ . 1 . 2 ]"
107 . 2 22 LYS N 2 22 LYS CA 2 22 LYS CB 2 22 LYS CG 160.00 -160.00 -160.18 -160.79 -161.98 0.31 19 0 "[ . 1 . 2 ]"
108 . 2 24 LEU N 2 24 LEU CA 2 24 LEU CB 2 24 LEU CG 160.00 -160.00 -163.28 -160.06 -160.15 0.33 17 0 "[ . 1 . 2 ]"
109 . 2 36 LEU N 2 36 LEU CA 2 36 LEU CB 2 36 LEU CG 160.00 -160.00 -167.06 172.67 -159.69 0.31 17 0 "[ . 1 . 2 ]"
110 . 2 9 VAL N 2 9 VAL CA 2 9 VAL CB 2 9 VAL CG2 -80.00 -40.00 -43.52 -45.11 -46.42 0.12 13 0 "[ . 1 . 2 ]"
111 . 2 37 VAL N 2 37 VAL CA 2 37 VAL CB 2 37 VAL CG2 -80.00 -40.00 -65.00 -80.61 -49.24 0.61 3 0 "[ . 1 . 2 ]"
112 . 2 51 VAL N 2 51 VAL CA 2 51 VAL CB 2 51 VAL CG2 -80.00 -40.00 -59.46 -61.55 -62.65 . . 0 "[ . 1 . 2 ]"
113 . 2 78 VAL N 2 78 VAL CA 2 78 VAL CB 2 78 VAL CG2 -80.00 -40.00 -50.92 -47.48 -48.66 . . 0 "[ . 1 . 2 ]"
114 . 2 8 ILE N 2 8 ILE CA 2 8 ILE CB 2 8 ILE CG1 160.00 -160.00 174.61 159.76 -174.01 0.24 19 0 "[ . 1 . 2 ]"
115 . 2 28 ILE N 2 28 ILE CA 2 28 ILE CB 2 28 ILE CG1 -80.00 -40.00 -64.07 -80.20 -47.69 0.20 2 0 "[ . 1 . 2 ]"
116 . 2 31 ILE N 2 31 ILE CA 2 31 ILE CB 2 31 ILE CG1 -80.00 -40.00 -52.92 -70.14 -39.90 0.10 14 0 "[ . 1 . 2 ]"
117 . 2 63 ILE N 2 63 ILE CA 2 63 ILE CB 2 63 ILE CG1 -80.00 -40.00 -64.36 -62.57 -64.16 . . 0 "[ . 1 . 2 ]"
118 . 2 17 THR N 2 17 THR CA 2 17 THR CB 2 17 THR OG1 160.00 -160.00 170.25 170.08 169.46 . . 0 "[ . 1 . 2 ]"
119 . 2 42 THR N 2 42 THR CA 2 42 THR CB 2 42 THR OG1 160.00 -160.00 -159.68 -160.24 -159.15 0.85 21 0 "[ . 1 . 2 ]"
120 . 2 73 THR N 2 73 THR CA 2 73 THR CB 2 73 THR OG1 40.00 80.00 54.47 39.54 80.49 0.49 17 0 "[ . 1 . 2 ]"
121 . 2 75 THR N 2 75 THR CA 2 75 THR CB 2 75 THR OG1 -80.00 -40.00 -76.69 -83.04 -61.31 3.04 21 0 "[ . 1 . 2 ]"
122 . 2 93 LEU N 2 93 LEU CA 2 93 LEU CB 2 93 LEU CG -80.00 -40.00 -69.66 -80.48 -52.36 0.48 18 0 "[ . 1 . 2 ]"
123 . 2 94 TYR N 2 94 TYR CA 2 94 TYR CB 2 94 TYR CG 160.00 -160.00 157.25 157.65 157.48 11.37 21 1 "[ . 1 . 2+]"
124 . 2 96 SER N 2 96 SER CA 2 96 SER CB 2 96 SER OG 40.00 80.00 56.70 53.29 48.74 0.44 21 0 "[ . 1 . 2 ]"
125 . 2 98 LEU N 2 98 LEU CA 2 98 LEU CB 2 98 LEU CG -80.00 -40.00 -46.00 -43.76 -47.87 0.26 13 0 "[ . 1 . 2 ]"
126 . 2 110 LEU N 2 110 LEU CA 2 110 LEU CB 2 110 LEU CG 160.00 -160.00 -160.99 -159.70 -159.78 0.53 21 0 "[ . 1 . 2 ]"
127 . 2 111 PHE N 2 111 PHE CA 2 111 PHE CB 2 111 PHE CG -80.00 -40.00 -76.88 -77.18 -77.69 0.36 11 0 "[ . 1 . 2 ]"
128 . 2 114 TYR N 2 114 TYR CA 2 114 TYR CB 2 114 TYR CG -80.00 -40.00 -80.76 -83.75 -80.15 3.75 21 0 "[ . 1 . 2 ]"
129 . 2 125 ASP N 2 125 ASP CA 2 125 ASP CB 2 125 ASP CG 160.00 -160.00 -163.61 161.99 -159.02 0.98 15 0 "[ . 1 . 2 ]"
130 . 2 136 PHE N 2 136 PHE CA 2 136 PHE CB 2 136 PHE CG -80.00 -40.00 -47.44 -54.62 -39.81 0.19 11 0 "[ . 1 . 2 ]"
131 . 2 139 PHE N 2 139 PHE CA 2 139 PHE CB 2 139 PHE CG -80.00 -40.00 -80.79 -80.68 -80.80 1.29 21 0 "[ . 1 . 2 ]"
132 . 2 140 ASP N 2 140 ASP CA 2 140 ASP CB 2 140 ASP CG 160.00 -160.00 -164.19 167.94 -158.92 1.08 21 0 "[ . 1 . 2 ]"
133 . 2 144 GLU N 2 144 GLU CA 2 144 GLU CB 2 144 GLU CG 160.00 -160.00 -161.85 -178.26 -159.44 0.56 20 0 "[ . 1 . 2 ]"
134 . 2 152 LEU N 2 152 LEU CA 2 152 LEU CB 2 152 LEU CG -80.00 -40.00 -79.66 -80.24 -74.98 0.24 19 0 "[ . 1 . 2 ]"
135 . 2 162 GLU N 2 162 GLU CA 2 162 GLU CB 2 162 GLU CG 160.00 -160.00 -165.58 -174.72 164.22 0.49 20 0 "[ . 1 . 2 ]"
136 . 2 168 PHE N 2 168 PHE CA 2 168 PHE CB 2 168 PHE CG -80.00 -40.00 -76.21 -76.04 -77.55 0.90 18 0 "[ . 1 . 2 ]"
137 . 2 95 VAL N 2 95 VAL CA 2 95 VAL CB 2 95 VAL CG2 -80.00 -40.00 -44.37 -57.34 -39.92 0.08 1 0 "[ . 1 . 2 ]"
138 . 2 130 VAL N 2 130 VAL CA 2 130 VAL CB 2 130 VAL CG2 -80.00 -40.00 -41.83 -42.66 -45.13 0.61 21 0 "[ . 1 . 2 ]"
139 . 2 134 VAL N 2 134 VAL CA 2 134 VAL CB 2 134 VAL CG2 -80.00 -40.00 -49.41 -70.23 -39.83 0.17 4 0 "[ . 1 . 2 ]"
140 . 2 166 VAL N 2 166 VAL CA 2 166 VAL CB 2 166 VAL CG2 160.00 -160.00 170.61 173.44 171.81 . . 0 "[ . 1 . 2 ]"
141 . 2 117 ILE N 2 117 ILE CA 2 117 ILE CB 2 117 ILE CG1 -80.00 -40.00 -44.05 -42.65 -43.67 0.55 7 0 "[ . 1 . 2 ]"
142 . 2 118 ILE N 2 118 ILE CA 2 118 ILE CB 2 118 ILE CG1 -80.00 -40.00 -52.56 -54.29 -55.20 . . 0 "[ . 1 . 2 ]"
143 . 2 122 ILE N 2 122 ILE CA 2 122 ILE CB 2 122 ILE CG1 -80.00 -40.00 -56.41 -72.78 -40.65 . . 0 "[ . 1 . 2 ]"
144 . 2 137 ILE N 2 137 ILE CA 2 137 ILE CB 2 137 ILE CG1 -80.00 -40.00 -45.53 -42.22 -43.52 0.16 12 0 "[ . 1 . 2 ]"
145 . 2 143 ILE N 2 143 ILE CA 2 143 ILE CB 2 143 ILE CG1 -80.00 -40.00 -59.59 -79.36 -48.96 . . 0 "[ . 1 . 2 ]"
146 . 2 149 ILE N 2 149 ILE CA 2 149 ILE CB 2 149 ILE CG1 -80.00 -40.00 -76.02 -80.12 -68.40 0.12 13 0 "[ . 1 . 2 ]"
147 . 2 164 ILE N 2 164 ILE CA 2 164 ILE CB 2 164 ILE CG1 40.00 80.00 60.30 50.93 80.17 0.17 14 0 "[ . 1 . 2 ]"
148 . 2 101 THR N 2 101 THR CA 2 101 THR CB 2 101 THR OG1 40.00 80.00 48.05 48.03 41.61 0.44 21 0 "[ . 1 . 2 ]"
149 . 2 119 THR N 2 119 THR CA 2 119 THR CB 2 119 THR OG1 40.00 80.00 50.81 37.83 73.56 2.17 21 0 "[ . 1 . 2 ]"
150 . 2 128 THR N 2 128 THR CA 2 128 THR CB 2 128 THR OG1 40.00 80.00 54.45 38.98 80.28 1.02 21 0 "[ . 1 . 2 ]"
151 . 2 165 THR N 2 165 THR CA 2 165 THR CB 2 165 THR OG1 -80.00 -40.00 -62.59 -74.57 -78.88 0.08 13 0 "[ . 1 . 2 ]"
152 . 2 7 LEU CA 2 7 LEU CB 2 7 LEU CG 2 7 LEU CD1 -100.00 -20.00 -51.35 -79.20 -30.13 . . 0 "[ . 1 . 2 ]"
153 . 2 12 LEU CA 2 12 LEU CB 2 12 LEU CG 2 12 LEU CD1 140.00 -140.00 -170.26 -152.66 -159.56 . . 0 "[ . 1 . 2 ]"
154 . 2 24 LEU CA 2 24 LEU CB 2 24 LEU CG 2 24 LEU CD1 -100.00 -20.00 -71.67 -60.40 -64.65 . . 0 "[ . 1 . 2 ]"
155 . 2 36 LEU CA 2 36 LEU CB 2 36 LEU CG 2 36 LEU CD1 140.00 -140.00 147.79 155.86 154.19 0.13 12 0 "[ . 1 . 2 ]"
156 . 2 46 LEU CA 2 46 LEU CB 2 46 LEU CG 2 46 LEU CD1 140.00 -140.00 147.15 137.56 -139.73 2.44 21 0 "[ . 1 . 2 ]"
157 . 2 69 LEU CA 2 69 LEU CB 2 69 LEU CG 2 69 LEU CD1 140.00 -140.00 164.84 173.81 166.95 . . 0 "[ . 1 . 2 ]"
158 . 2 71 LEU CA 2 71 LEU CB 2 71 LEU CG 2 71 LEU CD1 140.00 -140.00 170.31 178.04 174.49 . . 0 "[ . 1 . 2 ]"
159 . 2 8 ILE CG2 2 8 ILE CB 2 8 ILE CG1 2 8 ILE CD1 -100.00 -20.00 -57.80 -76.26 -46.17 . . 0 "[ . 1 . 2 ]"
160 . 2 28 ILE CG2 2 28 ILE CB 2 28 ILE CG1 2 28 ILE CD1 -100.00 -20.00 -67.27 -61.29 -61.69 0.12 20 0 "[ . 1 . 2 ]"
161 . 2 31 ILE CG2 2 31 ILE CB 2 31 ILE CG1 2 31 ILE CD1 -100.00 -20.00 -91.67 -98.31 -99.50 0.49 21 0 "[ . 1 . 2 ]"
162 . 2 16 MET CA 2 16 MET CB 2 16 MET CG 2 16 MET SD 140.00 -140.00 166.63 149.51 143.06 . . 0 "[ . 1 . 2 ]"
163 . 2 93 LEU CA 2 93 LEU CB 2 93 LEU CG 2 93 LEU CD1 140.00 -140.00 -173.22 157.38 -150.57 . . 0 "[ . 1 . 2 ]"
164 . 2 98 LEU CA 2 98 LEU CB 2 98 LEU CG 2 98 LEU CD1 140.00 -140.00 166.11 148.46 -175.52 . . 0 "[ . 1 . 2 ]"
165 . 2 110 LEU CA 2 110 LEU CB 2 110 LEU CG 2 110 LEU CD1 20.00 100.00 97.79 99.99 99.84 0.41 21 0 "[ . 1 . 2 ]"
166 . 2 152 LEU CA 2 152 LEU CB 2 152 LEU CG 2 152 LEU CD1 140.00 -140.00 175.68 159.28 -168.43 . . 0 "[ . 1 . 2 ]"
167 . 2 117 ILE CG2 2 117 ILE CB 2 117 ILE CG1 2 117 ILE CD1 -100.00 -20.00 -81.24 -77.45 -83.31 0.03 7 0 "[ . 1 . 2 ]"
168 . 2 118 ILE CG2 2 118 ILE CB 2 118 ILE CG1 2 118 ILE CD1 20.00 100.00 54.35 59.43 57.53 . . 0 "[ . 1 . 2 ]"
169 . 2 122 ILE CG2 2 122 ILE CB 2 122 ILE CG1 2 122 ILE CD1 -100.00 -20.00 -99.47 -101.38 -92.90 1.38 21 0 "[ . 1 . 2 ]"
170 . 2 137 ILE CG2 2 137 ILE CB 2 137 ILE CG1 2 137 ILE CD1 20.00 100.00 50.41 48.87 48.13 . . 0 "[ . 1 . 2 ]"
171 . 2 143 ILE CG2 2 143 ILE CB 2 143 ILE CG1 2 143 ILE CD1 20.00 100.00 64.55 46.31 78.15 . . 0 "[ . 1 . 2 ]"
172 . 2 149 ILE CG2 2 149 ILE CB 2 149 ILE CG1 2 149 ILE CD1 -100.00 -20.00 -66.76 -85.26 -50.92 . . 0 "[ . 1 . 2 ]"
173 . 2 164 ILE CG2 2 164 ILE CB 2 164 ILE CG1 2 164 ILE CD1 -100.00 -20.00 -99.25 -94.26 -99.00 5.53 21 1 "[ . 1 . 2+]"
174 . 1 5 U C4' 1 5 U O4' 1 5 U C1' 1 5 U C2' -20.00 20.00 3.12 -3.10 -6.84 . . 0 "[ . 1 . 2 ]"
175 . 1 5 U O4' 1 5 U C1' 1 5 U C2' 1 5 U C3' -42.00 -2.00 -24.33 -31.98 -13.98 . . 0 "[ . 1 . 2 ]"
176 . 1 5 U C1' 1 5 U C2' 1 5 U C3' 1 5 U C4' 31.00 41.00 35.05 34.83 33.82 0.16 12 0 "[ . 1 . 2 ]"
177 . 1 5 U C2' 1 5 U C3' 1 5 U C4' 1 5 U O4' -41.00 -31.00 -34.29 -35.73 -36.70 0.39 10 0 "[ . 1 . 2 ]"
178 . 1 6 A C4' 1 6 A O4' 1 6 A C1' 1 6 A C2' -20.00 20.00 4.02 -0.42 -3.77 . . 0 "[ . 1 . 2 ]"
179 . 1 6 A O4' 1 6 A C1' 1 6 A C2' 1 6 A C3' -42.00 -2.00 -24.42 -34.19 -11.94 . . 0 "[ . 1 . 2 ]"
180 . 1 6 A C1' 1 6 A C2' 1 6 A C3' 1 6 A C4' 31.00 41.00 34.32 34.22 33.53 0.35 21 0 "[ . 1 . 2 ]"
181 . 1 6 A C2' 1 6 A C3' 1 6 A C4' 1 6 A O4' -41.00 -31.00 -33.03 -34.42 -36.10 0.39 3 0 "[ . 1 . 2 ]"
182 . 1 7 U C4' 1 7 U O4' 1 7 U C1' 1 7 U C2' -20.00 20.00 -2.38 -14.13 20.02 0.02 5 0 "[ . 1 . 2 ]"
183 . 1 7 U O4' 1 7 U C1' 1 7 U C2' 1 7 U C3' -42.00 -2.00 -20.73 -23.09 -25.24 . . 0 "[ . 1 . 2 ]"
184 . 1 7 U C1' 1 7 U C2' 1 7 U C3' 1 7 U C4' 31.00 41.00 34.55 30.76 41.24 0.24 5 0 "[ . 1 . 2 ]"
185 . 1 7 U C2' 1 7 U C3' 1 7 U C4' 1 7 U O4' -41.00 -31.00 -36.85 -39.72 -41.07 0.35 10 0 "[ . 1 . 2 ]"
186 . 1 10 U C4' 1 10 U O4' 1 10 U C1' 1 10 U C2' -20.00 20.00 0.96 -8.52 7.98 . . 0 "[ . 1 . 2 ]"
187 . 1 10 U O4' 1 10 U C1' 1 10 U C2' 1 10 U C3' -42.00 -2.00 -22.67 -20.08 -21.39 . . 0 "[ . 1 . 2 ]"
188 . 1 10 U C1' 1 10 U C2' 1 10 U C3' 1 10 U C4' 31.00 41.00 34.46 30.99 36.88 0.01 2 0 "[ . 1 . 2 ]"
189 . 1 10 U C2' 1 10 U C3' 1 10 U C4' 1 10 U O4' -41.00 -31.00 -34.96 -37.73 -31.88 . . 0 "[ . 1 . 2 ]"
190 . 1 2 A C4' 1 2 A O4' 1 2 A C1' 1 2 A C2' -25.00 -11.00 -13.51 -20.29 -10.85 0.15 3 0 "[ . 1 . 2 ]"
191 . 1 2 A O4' 1 2 A C1' 1 2 A C2' 1 2 A C3' 28.00 40.00 28.51 29.16 28.69 0.79 20 0 "[ . 1 . 2 ]"
192 . 1 2 A C1' 1 2 A C2' 1 2 A C3' 1 2 A C4' -42.00 -32.00 -31.67 -32.49 -31.08 0.92 21 0 "[ . 1 . 2 ]"
193 . 1 2 A C2' 1 2 A C3' 1 2 A C4' 1 2 A O4' 21.00 31.00 24.95 20.88 27.30 0.12 12 0 "[ . 1 . 2 ]"
194 . 1 3 U C4' 1 3 U O4' 1 3 U C1' 1 3 U C2' -25.00 -11.00 -16.66 -25.27 -10.63 0.37 4 0 "[ . 1 . 2 ]"
195 . 1 3 U O4' 1 3 U C1' 1 3 U C2' 1 3 U C3' 28.00 40.00 32.07 31.87 30.98 . . 0 "[ . 1 . 2 ]"
196 . 1 3 U C1' 1 3 U C2' 1 3 U C3' 1 3 U C4' -42.00 -32.00 -34.47 -32.47 -33.48 0.04 14 0 "[ . 1 . 2 ]"
197 . 1 3 U C2' 1 3 U C3' 1 3 U C4' 1 3 U O4' 21.00 31.00 25.98 20.77 31.32 0.32 3 0 "[ . 1 . 2 ]"
198 . 1 4 U C4' 1 4 U O4' 1 4 U C1' 1 4 U C2' -25.00 -11.00 -16.28 -24.03 -9.77 1.23 21 0 "[ . 1 . 2 ]"
199 . 1 4 U O4' 1 4 U C1' 1 4 U C2' 1 4 U C3' 28.00 40.00 31.82 35.97 34.05 0.11 11 0 "[ . 1 . 2 ]"
200 . 1 4 U C1' 1 4 U C2' 1 4 U C3' 1 4 U C4' -42.00 -32.00 -34.37 -39.21 -31.82 0.18 18 0 "[ . 1 . 2 ]"
201 . 1 4 U C2' 1 4 U C3' 1 4 U C4' 1 4 U O4' 21.00 31.00 26.08 27.21 26.10 0.20 4 0 "[ . 1 . 2 ]"
202 . 1 8 U C4' 1 8 U O4' 1 8 U C1' 1 8 U C2' -25.00 -11.00 -15.39 -25.31 -10.30 0.70 21 0 "[ . 1 . 2 ]"
203 . 1 8 U O4' 1 8 U C1' 1 8 U C2' 1 8 U C3' 28.00 40.00 31.30 36.34 34.11 0.28 12 0 "[ . 1 . 2 ]"
204 . 1 8 U C1' 1 8 U C2' 1 8 U C3' 1 8 U C4' -42.00 -32.00 -34.38 -37.95 -31.98 0.02 3 0 "[ . 1 . 2 ]"
205 . 1 8 U C2' 1 8 U C3' 1 8 U C4' 1 8 U O4' 21.00 31.00 26.59 20.60 31.18 0.40 3 0 "[ . 1 . 2 ]"
206 . 1 9 U C4' 1 9 U O4' 1 9 U C1' 1 9 U C2' -25.00 -11.00 -12.16 -22.50 -9.93 1.07 21 0 "[ . 1 . 2 ]"
207 . 1 9 U O4' 1 9 U C1' 1 9 U C2' 1 9 U C3' 28.00 40.00 28.48 27.79 27.73 0.58 5 0 "[ . 1 . 2 ]"
208 . 1 9 U C1' 1 9 U C2' 1 9 U C3' 1 9 U C4' -42.00 -32.00 -33.06 -32.84 -33.19 1.38 3 0 "[ . 1 . 2 ]"
209 . 1 9 U C2' 1 9 U C3' 1 9 U C4' 1 9 U O4' 21.00 31.00 27.10 20.69 30.02 0.31 11 0 "[ . 1 . 2 ]"
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