NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
417256 |
2dmk   |
11106 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2dmk
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 105
_TA_constraint_stats_list.Viol_count 96
_TA_constraint_stats_list.Viol_total 383.30
_TA_constraint_stats_list.Viol_max 1.09
_TA_constraint_stats_list.Viol_rms 0.06
_TA_constraint_stats_list.Viol_average_all_restraints 0.01
_TA_constraint_stats_list.Viol_average_violations_only 0.20
_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 PHI 1 19 PRO C 1 20 SER N 1 20 SER CA 1 20 SER C -127.00 -67.00 -114.28 -107.23 -110.18 . . 0 "[ . 1 . 2]"
2 PSI 1 20 SER N 1 20 SER CA 1 20 SER C 1 21 ILE N 100.00 160.00 107.63 103.88 101.04 0.02 12 0 "[ . 1 . 2]"
3 PHI 1 20 SER C 1 21 ILE N 1 21 ILE CA 1 21 ILE C -119.00 -59.00 -72.63 -83.55 -64.94 . . 0 "[ . 1 . 2]"
4 PSI 1 21 ILE N 1 21 ILE CA 1 21 ILE C 1 22 ARG N 92.00 152.00 110.15 107.68 106.53 . . 0 "[ . 1 . 2]"
5 PHI 1 22 ARG C 1 23 GLU N 1 23 GLU CA 1 23 GLU C -88.00 -28.00 -79.88 -71.87 -83.64 0.25 11 0 "[ . 1 . 2]"
6 PSI 1 23 GLU N 1 23 GLU CA 1 23 GLU C 1 24 GLU N -61.00 -1.00 -26.85 -37.16 -13.95 . . 0 "[ . 1 . 2]"
7 PHI 1 23 GLU C 1 24 GLU N 1 24 GLU CA 1 24 GLU C -104.00 -44.00 -73.73 -67.86 -71.21 . . 0 "[ . 1 . 2]"
8 PSI 1 24 GLU N 1 24 GLU CA 1 24 GLU C 1 25 LEU N -60.00 0.00 -27.58 -37.73 -20.33 . . 0 "[ . 1 . 2]"
9 PHI 1 24 GLU C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -133.00 -73.00 -91.91 -86.02 -89.04 . . 0 "[ . 1 . 2]"
10 PSI 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 CYS N -30.00 30.00 -27.52 -23.61 -24.87 0.16 12 0 "[ . 1 . 2]"
11 PHI 1 27 THR C 1 28 ALA N 1 28 ALA CA 1 28 ALA C -154.00 -94.00 -122.54 -119.62 -122.09 . . 0 "[ . 1 . 2]"
12 PSI 1 28 ALA N 1 28 ALA CA 1 28 ALA C 1 29 SER N 99.00 159.00 135.63 131.39 126.29 . . 0 "[ . 1 . 2]"
13 PHI 1 28 ALA C 1 29 SER N 1 29 SER CA 1 29 SER C -142.00 -82.00 -130.90 -138.34 -122.42 . . 0 "[ . 1 . 2]"
14 PSI 1 29 SER N 1 29 SER CA 1 29 SER C 1 30 HIS N 107.00 167.00 164.48 155.45 167.36 0.36 6 0 "[ . 1 . 2]"
15 PHI 1 31 ASP C 1 32 THR N 1 32 THR CA 1 32 THR C -162.00 -102.00 -152.48 -147.57 -152.49 0.14 5 0 "[ . 1 . 2]"
16 PSI 1 32 THR N 1 32 THR CA 1 32 THR C 1 33 ILE N 107.00 167.00 150.86 144.04 136.55 . . 0 "[ . 1 . 2]"
17 PHI 1 32 THR C 1 33 ILE N 1 33 ILE CA 1 33 ILE C -164.00 -104.00 -151.34 -159.40 -132.25 . . 0 "[ . 1 . 2]"
18 PSI 1 33 ILE N 1 33 ILE CA 1 33 ILE C 1 34 THR N 97.00 157.00 133.07 126.44 138.55 . . 0 "[ . 1 . 2]"
19 PHI 1 33 ILE C 1 34 THR N 1 34 THR CA 1 34 THR C -119.00 -59.00 -112.23 -117.32 -105.31 . . 0 "[ . 1 . 2]"
20 PSI 1 34 THR N 1 34 THR CA 1 34 THR C 1 35 VAL N 96.00 156.00 112.51 118.50 114.50 . . 0 "[ . 1 . 2]"
21 PHI 1 34 THR C 1 35 VAL N 1 35 VAL CA 1 35 VAL C -129.00 -69.00 -98.49 -106.94 -87.71 . . 0 "[ . 1 . 2]"
22 PSI 1 35 VAL N 1 35 VAL CA 1 35 VAL C 1 36 HIS N 111.00 171.00 127.90 111.12 137.35 . . 0 "[ . 1 . 2]"
23 PHI 1 35 VAL C 1 36 HIS N 1 36 HIS CA 1 36 HIS C -150.00 -90.00 -107.62 -111.97 -113.93 . . 0 "[ . 1 . 2]"
24 PSI 1 36 HIS N 1 36 HIS CA 1 36 HIS C 1 37 TRP N 119.00 179.00 123.68 119.42 127.41 . . 0 "[ . 1 . 2]"
25 PHI 1 36 HIS C 1 37 TRP N 1 37 TRP CA 1 37 TRP C -144.00 -84.00 -116.08 -119.06 -120.86 . . 0 "[ . 1 . 2]"
26 PSI 1 37 TRP N 1 37 TRP CA 1 37 TRP C 1 38 ILE N 111.00 171.00 136.74 130.94 123.61 . . 0 "[ . 1 . 2]"
27 PHI 1 37 TRP C 1 38 ILE N 1 38 ILE CA 1 38 ILE C -160.00 -100.00 -110.27 -128.34 -99.84 0.16 5 0 "[ . 1 . 2]"
28 PSI 1 38 ILE N 1 38 ILE CA 1 38 ILE C 1 39 SER N 105.00 165.00 136.12 138.67 137.15 . . 0 "[ . 1 . 2]"
29 PHI 1 38 ILE C 1 39 SER N 1 39 SER CA 1 39 SER C -139.00 -79.00 -135.51 -139.29 -126.30 0.29 6 0 "[ . 1 . 2]"
30 PSI 1 39 SER N 1 39 SER CA 1 39 SER C 1 40 ASP N 101.00 161.00 147.55 153.35 151.18 . . 0 "[ . 1 . 2]"
31 PHI 1 47 SER C 1 48 TYR N 1 48 TYR CA 1 48 TYR C -161.00 -101.00 -104.73 -111.49 -100.81 0.19 17 0 "[ . 1 . 2]"
32 PSI 1 48 TYR N 1 48 TYR CA 1 48 TYR C 1 49 GLU N 119.00 179.00 155.77 146.66 171.03 . . 0 "[ . 1 . 2]"
33 PHI 1 48 TYR C 1 49 GLU N 1 49 GLU CA 1 49 GLU C -151.00 -91.00 -128.11 -140.34 -121.73 . . 0 "[ . 1 . 2]"
34 PSI 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 LEU N 108.00 168.00 131.94 121.30 149.12 . . 0 "[ . 1 . 2]"
35 PHI 1 49 GLU C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -152.00 -92.00 -105.49 -93.43 -97.20 . . 0 "[ . 1 . 2]"
36 PSI 1 50 LEU N 1 50 LEU CA 1 50 LEU C 1 51 GLN N 98.00 158.00 133.67 138.99 135.82 . . 0 "[ . 1 . 2]"
37 PHI 1 50 LEU C 1 51 GLN N 1 51 GLN CA 1 51 GLN C -149.00 -89.00 -129.74 -148.22 -111.91 . . 0 "[ . 1 . 2]"
38 PSI 1 51 GLN N 1 51 GLN CA 1 51 GLN C 1 52 TYR N 114.00 174.00 117.25 113.73 135.83 0.27 14 0 "[ . 1 . 2]"
39 PHI 1 51 GLN C 1 52 TYR N 1 52 TYR CA 1 52 TYR C -155.00 -95.00 -132.63 -150.30 -124.85 . . 0 "[ . 1 . 2]"
40 PSI 1 52 TYR N 1 52 TYR CA 1 52 TYR C 1 53 THR N 117.00 177.00 150.20 158.10 153.77 . . 0 "[ . 1 . 2]"
41 PHI 1 53 THR C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -112.00 -52.00 -70.35 -71.25 -72.02 . . 0 "[ . 1 . 2]"
42 PSI 1 54 ILE N 1 54 ILE CA 1 54 ILE C 1 55 PHE N 96.00 156.00 121.20 107.87 135.75 . . 0 "[ . 1 . 2]"
43 PHI 1 54 ILE C 1 55 PHE N 1 55 PHE CA 1 55 PHE C -126.00 -66.00 -99.05 -98.02 -102.85 . . 0 "[ . 1 . 2]"
44 PSI 1 55 PHE N 1 55 PHE CA 1 55 PHE C 1 56 THR N 105.00 165.00 111.99 104.71 127.33 0.29 12 0 "[ . 1 . 2]"
45 PHI 1 61 PHE C 1 62 ILE N 1 62 ILE CA 1 62 ILE C -93.00 -33.00 -51.17 -68.54 -33.19 . . 0 "[ . 1 . 2]"
46 PSI 1 62 ILE N 1 62 ILE CA 1 62 ILE C 1 63 SER N -68.00 -8.00 -50.42 -53.86 -54.99 . . 0 "[ . 1 . 2]"
47 PHI 1 63 SER C 1 64 LEU N 1 64 LEU CA 1 64 LEU C -95.00 -35.00 -67.36 -83.57 -51.23 . . 0 "[ . 1 . 2]"
48 PSI 1 64 LEU N 1 64 LEU CA 1 64 LEU C 1 65 TYR N -66.00 -6.00 -55.18 -52.49 -55.25 . . 0 "[ . 1 . 2]"
49 PHI 1 64 LEU C 1 65 TYR N 1 65 TYR CA 1 65 TYR C -98.00 -38.00 -53.99 -74.61 -40.00 . . 0 "[ . 1 . 2]"
50 PSI 1 65 TYR N 1 65 TYR CA 1 65 TYR C 1 66 ASN N -57.00 3.00 -25.46 -18.25 -20.90 . . 0 "[ . 1 . 2]"
51 PHI 1 65 TYR C 1 66 ASN N 1 66 ASN CA 1 66 ASN C -120.00 -60.00 -63.13 -72.57 -59.60 0.40 13 0 "[ . 1 . 2]"
52 PSI 1 66 ASN N 1 66 ASN CA 1 66 ASN C 1 67 SER N -57.00 3.00 -43.99 -47.96 -53.86 0.15 19 0 "[ . 1 . 2]"
53 PHI 1 82 TYR C 1 83 THR N 1 83 THR CA 1 83 THR C -134.00 -74.00 -84.86 -79.20 -81.21 . . 0 "[ . 1 . 2]"
54 PSI 1 83 THR N 1 83 THR CA 1 83 THR C 1 84 VAL N 92.00 152.00 110.78 105.86 118.43 . . 0 "[ . 1 . 2]"
55 PHI 1 83 THR C 1 84 VAL N 1 84 VAL CA 1 84 VAL C -132.00 -72.00 -84.28 -92.16 -78.00 . . 0 "[ . 1 . 2]"
56 PSI 1 84 VAL N 1 84 VAL CA 1 84 VAL C 1 85 HIS N 104.00 164.00 120.54 104.76 135.45 . . 0 "[ . 1 . 2]"
57 PHI 1 84 VAL C 1 85 HIS N 1 85 HIS CA 1 85 HIS C -126.00 -66.00 -106.37 -106.49 -108.60 . . 0 "[ . 1 . 2]"
58 PSI 1 85 HIS N 1 85 HIS CA 1 85 HIS C 1 86 GLY N 93.00 153.00 144.96 130.22 151.99 . . 0 "[ . 1 . 2]"
59 PHI 1 87 LEU C 1 88 GLN N 1 88 GLN CA 1 88 GLN C -133.00 -73.00 -104.96 -99.77 -103.32 . . 0 "[ . 1 . 2]"
60 PSI 1 88 GLN N 1 88 GLN CA 1 88 GLN C 1 89 SER N 111.00 171.00 142.06 128.38 158.60 . . 0 "[ . 1 . 2]"
61 PHI 1 88 GLN C 1 89 SER N 1 89 SER CA 1 89 SER C -118.00 -58.00 -72.45 -90.06 -58.88 . . 0 "[ . 1 . 2]"
62 PSI 1 89 SER N 1 89 SER CA 1 89 SER C 1 90 GLY N 100.00 160.00 146.38 146.43 144.49 . . 0 "[ . 1 . 2]"
63 PHI 1 91 THR C 1 92 ARG N 1 92 ARG CA 1 92 ARG C -132.00 -72.00 -72.56 -76.18 -71.74 0.26 9 0 "[ . 1 . 2]"
64 PSI 1 92 ARG N 1 92 ARG CA 1 92 ARG C 1 93 TYR N 111.00 171.00 143.46 147.86 147.08 . . 0 "[ . 1 . 2]"
65 PHI 1 92 ARG C 1 93 TYR N 1 93 TYR CA 1 93 TYR C -157.00 -97.00 -144.65 -157.05 -132.81 0.05 11 0 "[ . 1 . 2]"
66 PSI 1 93 TYR N 1 93 TYR CA 1 93 TYR C 1 94 ILE N 114.00 174.00 118.82 119.01 118.23 . . 0 "[ . 1 . 2]"
67 PHI 1 93 TYR C 1 94 ILE N 1 94 ILE CA 1 94 ILE C -150.00 -90.00 -92.37 -99.15 -89.77 0.23 12 0 "[ . 1 . 2]"
68 PSI 1 94 ILE N 1 94 ILE CA 1 94 ILE C 1 95 PHE N 108.00 168.00 135.02 155.32 143.91 . . 0 "[ . 1 . 2]"
69 PHI 1 94 ILE C 1 95 PHE N 1 95 PHE CA 1 95 PHE C -148.00 -88.00 -121.83 -141.24 -99.77 . . 0 "[ . 1 . 2]"
70 PSI 1 95 PHE N 1 95 PHE CA 1 95 PHE C 1 96 ILE N 107.00 167.00 138.84 130.90 146.35 . . 0 "[ . 1 . 2]"
71 PHI 1 96 ILE C 1 97 VAL N 1 97 VAL CA 1 97 VAL C -143.00 -83.00 -84.18 -84.56 -85.55 0.95 9 0 "[ . 1 . 2]"
72 PSI 1 97 VAL N 1 97 VAL CA 1 97 VAL C 1 98 LYS N 86.00 146.00 131.97 126.43 121.92 . . 0 "[ . 1 . 2]"
73 PHI 1 97 VAL C 1 98 LYS N 1 98 LYS CA 1 98 LYS C -132.00 -72.00 -122.53 -132.29 -109.18 0.29 11 0 "[ . 1 . 2]"
74 PSI 1 98 LYS N 1 98 LYS CA 1 98 LYS C 1 99 ALA N 98.00 158.00 116.14 114.48 113.48 . . 0 "[ . 1 . 2]"
75 PHI 1 99 ALA C 1 100 ILE N 1 100 ILE CA 1 100 ILE C -133.00 -73.00 -116.85 -121.06 -124.19 . . 0 "[ . 1 . 2]"
76 PSI 1 100 ILE N 1 100 ILE CA 1 100 ILE C 1 101 ASN N 99.00 159.00 137.06 141.02 140.06 . . 0 "[ . 1 . 2]"
77 PHI 1 104 GLY C 1 105 SER N 1 105 SER CA 1 105 SER C -155.00 -95.00 -146.29 -155.43 -134.18 0.43 19 0 "[ . 1 . 2]"
78 PSI 1 105 SER N 1 105 SER CA 1 105 SER C 1 106 ARG N 119.00 179.00 151.81 153.64 152.79 . . 0 "[ . 1 . 2]"
79 PHI 1 105 SER C 1 106 ARG N 1 106 ARG CA 1 106 ARG C -162.00 -102.00 -135.61 -146.54 -123.88 . . 0 "[ . 1 . 2]"
80 PSI 1 106 ARG N 1 106 ARG CA 1 106 ARG C 1 107 ASN N 105.00 165.00 115.80 120.32 119.10 . . 0 "[ . 1 . 2]"
81 PHI 1 106 ARG C 1 107 ASN N 1 107 ASN CA 1 107 ASN C -126.00 -66.00 -86.91 -114.36 -79.68 . . 0 "[ . 1 . 2]"
82 PSI 1 107 ASN N 1 107 ASN CA 1 107 ASN C 1 108 SER N 102.00 162.00 129.84 127.99 126.41 . . 0 "[ . 1 . 2]"
83 PHI 1 107 ASN C 1 108 SER N 1 108 SER CA 1 108 SER C -137.00 -77.00 -83.23 -91.93 -76.61 0.39 9 0 "[ . 1 . 2]"
84 PSI 1 108 SER N 1 108 SER CA 1 108 SER C 1 109 GLU N 119.00 179.00 176.11 175.03 171.99 0.08 13 0 "[ . 1 . 2]"
85 PHI 1 108 SER C 1 109 GLU N 1 109 GLU CA 1 109 GLU C -126.00 -66.00 -72.34 -76.35 -66.03 . . 0 "[ . 1 . 2]"
86 PSI 1 109 GLU N 1 109 GLU CA 1 109 GLU C 1 110 PRO N 91.00 151.00 150.51 151.10 151.07 0.45 19 0 "[ . 1 . 2]"
87 PHI 1 110 PRO C 1 111 THR N 1 111 THR CA 1 111 THR C -150.00 -90.00 -104.39 -120.29 -95.86 . . 0 "[ . 1 . 2]"
88 PSI 1 111 THR N 1 111 THR CA 1 111 THR C 1 112 ARG N 100.00 160.00 107.02 111.02 110.44 . . 0 "[ . 1 . 2]"
89 PHI 1 111 THR C 1 112 ARG N 1 112 ARG CA 1 112 ARG C -133.00 -73.00 -75.48 -72.99 -73.31 0.14 2 0 "[ . 1 . 2]"
90 PSI 1 112 ARG N 1 112 ARG CA 1 112 ARG C 1 113 LEU N 97.00 157.00 130.43 134.72 134.62 . . 0 "[ . 1 . 2]"
91 PHI 1 112 ARG C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -176.00 -116.00 -134.50 -142.36 -145.82 . . 0 "[ . 1 . 2]"
92 PSI 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 LYS N 122.00 -178.00 155.44 140.43 174.42 . . 0 "[ . 1 . 2]"
93 PHI 1 113 LEU C 1 114 LYS N 1 114 LYS CA 1 114 LYS C -152.00 -92.00 -128.61 -141.22 -114.12 . . 0 "[ . 1 . 2]"
94 PSI 1 114 LYS N 1 114 LYS CA 1 114 LYS C 1 115 THR N 108.00 168.00 138.73 124.80 151.70 . . 0 "[ . 1 . 2]"
95 PHI 1 114 LYS C 1 115 THR N 1 115 THR CA 1 115 THR C -139.00 -79.00 -85.15 -86.40 -89.26 0.32 14 0 "[ . 1 . 2]"
96 PSI 1 115 THR N 1 115 THR CA 1 115 THR C 1 116 ASN N 120.00 180.00 170.78 172.74 171.86 0.33 15 0 "[ . 1 . 2]"
97 PHI 1 117 SER C 1 118 GLN N 1 118 GLN CA 1 118 GLN C -135.00 -75.00 -124.71 -136.09 -74.55 1.09 19 0 "[ . 1 . 2]"
98 PSI 1 118 GLN N 1 118 GLN CA 1 118 GLN C 1 119 PRO N 104.00 164.00 153.48 161.67 161.15 . . 0 "[ . 1 . 2]"
99 PHI 1 119 PRO C 1 120 PHE N 1 120 PHE CA 1 120 PHE C -123.00 -63.00 -75.71 -123.10 -62.83 0.17 15 0 "[ . 1 . 2]"
100 PSI 1 120 PHE N 1 120 PHE CA 1 120 PHE C 1 121 LYS N 99.00 159.00 132.28 103.18 158.56 . . 0 "[ . 1 . 2]"
101 PHI 1 120 PHE C 1 121 LYS N 1 121 LYS CA 1 121 LYS C -121.00 -61.00 -94.66 -119.99 -67.91 . . 0 "[ . 1 . 2]"
102 PSI 1 121 LYS N 1 121 LYS CA 1 121 LYS C 1 122 SER N 104.00 164.00 131.05 109.80 156.93 . . 0 "[ . 1 . 2]"
103 CHI21 1 77 ILE CA 1 77 ILE CB 1 77 ILE CG1 1 77 ILE CD1 150.00 -150.00 -175.00 -179.03 178.14 . . 0 "[ . 1 . 2]"
104 CHI21 1 96 ILE CA 1 96 ILE CB 1 96 ILE CG1 1 96 ILE CD1 150.00 -150.00 160.62 159.64 158.11 0.10 12 0 "[ . 1 . 2]"
105 CHI21 1 45 ILE CA 1 45 ILE CB 1 45 ILE CG1 1 45 ILE CD1 150.00 -150.00 176.66 -177.71 179.97 . . 0 "[ . 1 . 2]"
stop_
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