NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
454855 |
3mef   |
4296 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_3mef
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 106
_TA_constraint_stats_list.Viol_count 264
_TA_constraint_stats_list.Viol_total 2992.58
_TA_constraint_stats_list.Viol_max 7.38
_TA_constraint_stats_list.Viol_rms 0.42
_TA_constraint_stats_list.Viol_average_all_restraints 0.11
_TA_constraint_stats_list.Viol_average_violations_only 0.71
_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 2 GLY C 1 3 LYS N 1 3 LYS CA 1 3 LYS C -170.00 10.00 -90.93 -110.67 -127.20 . . 0 "[ . 1 . ]"
2 PSI 1 3 LYS N 1 3 LYS CA 1 3 LYS C 1 4 MET N 110.00 -150.00 169.42 177.79 162.55 . . 0 "[ . 1 . ]"
3 CHI1 1 3 LYS N 1 3 LYS CA 1 3 LYS CB 1 3 LYS CG -100.00 0.00 -76.65 -100.04 -2.33 0.04 2 0 "[ . 1 . ]"
4 PHI 1 3 LYS C 1 4 MET N 1 4 MET CA 1 4 MET C -179.00 -70.00 -131.45 -165.39 -70.68 . . 0 "[ . 1 . ]"
5 PSI 1 4 MET N 1 4 MET CA 1 4 MET C 1 5 THR N 90.00 -150.00 149.10 143.97 140.04 . . 0 "[ . 1 . ]"
6 CHI1 1 4 MET N 1 4 MET CA 1 4 MET CB 1 4 MET CG 10.00 120.00 29.82 9.93 59.54 0.07 4 0 "[ . 1 . ]"
7 PHI 1 4 MET C 1 5 THR N 1 5 THR CA 1 5 THR C -179.00 -60.00 -80.67 -85.12 -89.74 0.17 9 0 "[ . 1 . ]"
8 PSI 1 5 THR N 1 5 THR CA 1 5 THR C 1 6 GLY N 140.00 -150.00 157.93 139.55 172.66 0.45 15 0 "[ . 1 . ]"
9 CHI1 1 5 THR N 1 5 THR CA 1 5 THR CB 1 5 THR OG1 70.00 170.00 69.33 69.29 69.27 0.76 4 0 "[ . 1 . ]"
10 PHI 1 6 GLY C 1 7 ILE N 1 7 ILE CA 1 7 ILE C -160.00 0.00 -97.06 -103.60 -148.16 . . 0 "[ . 1 . ]"
11 PSI 1 7 ILE N 1 7 ILE CA 1 7 ILE C 1 8 VAL N 110.00 -170.00 143.66 140.43 138.83 . . 0 "[ . 1 . ]"
12 CHI1 1 7 ILE N 1 7 ILE CA 1 7 ILE CB 1 7 ILE CG1 100.00 170.00 99.37 98.88 99.90 1.12 2 0 "[ . 1 . ]"
13 PHI 1 7 ILE C 1 8 VAL N 1 8 VAL CA 1 8 VAL C -179.00 30.00 -90.90 -78.47 -83.73 . . 0 "[ . 1 . ]"
14 PSI 1 8 VAL N 1 8 VAL CA 1 8 VAL C 1 9 LYS N 10.00 -140.00 141.18 145.30 143.80 . . 0 "[ . 1 . ]"
15 CHI1 1 10 TRP N 1 10 TRP CA 1 10 TRP CB 1 10 TRP CG -90.00 0.00 -22.45 -12.70 -20.99 0.83 9 0 "[ . 1 . ]"
16 PSI 1 11 PHE N 1 11 PHE CA 1 11 PHE C 1 12 ASN N 40.00 -170.00 131.36 151.30 146.40 . . 0 "[ . 1 . ]"
17 CHI1 1 11 PHE N 1 11 PHE CA 1 11 PHE CB 1 11 PHE CG 0.00 120.00 109.87 49.96 123.75 3.75 12 0 "[ . 1 . ]"
18 PHI 1 11 PHE C 1 12 ASN N 1 12 ASN CA 1 12 ASN C -170.00 100.00 -127.58 -160.44 78.40 . . 0 "[ . 1 . ]"
19 PSI 1 12 ASN N 1 12 ASN CA 1 12 ASN C 1 13 ALA N 40.00 -170.00 121.42 57.06 -169.67 0.33 14 0 "[ . 1 . ]"
20 CHI1 1 12 ASN N 1 12 ASN CA 1 12 ASN CB 1 12 ASN CG -140.00 140.00 -136.42 41.68 -36.86 1.56 8 0 "[ . 1 . ]"
21 PHI 1 14 ASP C 1 15 LYS N 1 15 LYS CA 1 15 LYS C -130.00 -50.00 -91.12 -84.50 -93.05 0.80 11 0 "[ . 1 . ]"
22 PSI 1 15 LYS N 1 15 LYS CA 1 15 LYS C 1 16 GLY N -120.00 -20.00 -36.81 -35.07 -37.02 0.41 10 0 "[ . 1 . ]"
23 CHI1 1 15 LYS N 1 15 LYS CA 1 15 LYS CB 1 15 LYS CG 0.00 120.00 50.47 64.95 57.56 1.28 10 0 "[ . 1 . ]"
24 PHI 1 18 GLY C 1 19 PHE N 1 19 PHE CA 1 19 PHE C -150.00 90.00 -125.66 -151.38 -89.45 1.38 14 0 "[ . 1 . ]"
25 PSI 1 19 PHE N 1 19 PHE CA 1 19 PHE C 1 20 ILE N 110.00 -160.00 126.52 108.84 161.15 1.16 14 0 "[ . 1 . ]"
26 PHI 1 19 PHE C 1 20 ILE N 1 20 ILE CA 1 20 ILE C -179.00 -60.00 -108.36 -132.67 -84.47 . . 0 "[ . 1 . ]"
27 PSI 1 20 ILE N 1 20 ILE CA 1 20 ILE C 1 21 THR N 110.00 -140.00 162.62 167.24 165.17 . . 0 "[ . 1 . ]"
28 CHI1 1 20 ILE N 1 20 ILE CA 1 20 ILE CB 1 20 ILE CG1 -179.00 -20.00 -63.78 -85.60 -24.46 . . 0 "[ . 1 . ]"
29 PHI 1 20 ILE C 1 21 THR N 1 21 THR CA 1 21 THR C -160.00 -80.00 -127.46 -142.65 -109.47 . . 0 "[ . 1 . ]"
30 CHI1 1 21 THR N 1 21 THR CA 1 21 THR CB 1 21 THR OG1 170.00 -20.00 -95.04 -94.34 -94.42 . . 0 "[ . 1 . ]"
31 PSI 1 22 PRO N 1 22 PRO CA 1 22 PRO C 1 23 ASP N 30.00 -160.00 170.60 163.04 141.64 0.52 11 0 "[ . 1 . ]"
32 PSI 1 23 ASP N 1 23 ASP CA 1 23 ASP C 1 24 ASP N -110.00 0.00 -40.28 -53.18 -67.91 0.51 4 0 "[ . 1 . ]"
33 CHI1 1 23 ASP N 1 23 ASP CA 1 23 ASP CB 1 23 ASP CG -80.00 110.00 18.48 44.11 38.58 0.07 9 0 "[ . 1 . ]"
34 PHI 1 22 PRO C 1 23 ASP N 1 23 ASP CA 1 23 ASP C -179.00 20.00 -80.33 -147.20 -38.07 . . 0 "[ . 1 . ]"
35 PHI 1 23 ASP C 1 24 ASP N 1 24 ASP CA 1 24 ASP C 170.00 120.00 -100.59 39.24 -44.40 0.52 4 0 "[ . 1 . ]"
36 PSI 1 24 ASP N 1 24 ASP CA 1 24 ASP C 1 25 GLY N -110.00 0.00 -41.65 -18.76 -29.31 1.98 8 0 "[ . 1 . ]"
37 CHI1 1 24 ASP N 1 24 ASP CA 1 24 ASP CB 1 24 ASP CG -60.00 180.00 -162.56 45.20 -51.69 0.16 8 0 "[ . 1 . ]"
38 PHI 1 26 SER C 1 27 LYS N 1 27 LYS CA 1 27 LYS C 170.00 130.00 -112.15 -138.16 172.48 0.09 7 0 "[ . 1 . ]"
39 PSI 1 27 LYS N 1 27 LYS CA 1 27 LYS C 1 28 ASP N 50.00 -170.00 177.50 48.03 -169.51 1.97 11 0 "[ . 1 . ]"
40 PHI 1 27 LYS C 1 28 ASP N 1 28 ASP CA 1 28 ASP C -160.00 70.00 -125.52 -103.61 -124.39 2.52 11 0 "[ . 1 . ]"
41 PSI 1 28 ASP N 1 28 ASP CA 1 28 ASP C 1 29 VAL N 100.00 -150.00 130.97 112.03 156.68 . . 0 "[ . 1 . ]"
42 CHI1 1 28 ASP N 1 28 ASP CA 1 28 ASP CB 1 28 ASP CG 0.00 110.00 39.36 37.75 36.53 . . 0 "[ . 1 . ]"
43 PHI 1 28 ASP C 1 29 VAL N 1 29 VAL CA 1 29 VAL C -179.00 -60.00 -105.55 -105.96 -116.71 . . 0 "[ . 1 . ]"
44 PSI 1 29 VAL N 1 29 VAL CA 1 29 VAL C 1 30 PHE N 100.00 -140.00 135.54 109.29 163.58 . . 0 "[ . 1 . ]"
45 CHI1 1 29 VAL N 1 29 VAL CA 1 29 VAL CB 1 29 VAL CG1 -110.00 30.00 -76.93 -110.23 30.67 0.67 11 0 "[ . 1 . ]"
46 PSI 1 30 PHE N 1 30 PHE CA 1 30 PHE C 1 31 VAL N -170.00 179.00 147.47 157.89 155.34 . . 0 "[ . 1 . ]"
47 PHI 1 29 VAL C 1 30 PHE N 1 30 PHE CA 1 30 PHE C -90.00 10.00 -81.51 -78.72 -85.62 0.41 10 0 "[ . 1 . ]"
48 CHI1 1 30 PHE N 1 30 PHE CA 1 30 PHE CB 1 30 PHE CG -140.00 130.00 51.91 -140.86 90.49 0.86 3 0 "[ . 1 . ]"
49 PHI 1 30 PHE C 1 31 VAL N 1 31 VAL CA 1 31 VAL C -160.00 80.00 -152.18 -119.77 -140.58 0.64 15 0 "[ . 1 . ]"
50 PSI 1 31 VAL N 1 31 VAL CA 1 31 VAL C 1 32 HIS N 120.00 -170.00 161.30 145.71 175.09 . . 0 "[ . 1 . ]"
51 CHI1 1 31 VAL N 1 31 VAL CA 1 31 VAL CB 1 31 VAL CG1 -50.00 40.00 14.03 -50.15 40.53 0.53 10 0 "[ . 1 . ]"
52 PHI 1 33 PHE C 1 34 SER N 1 34 SER CA 1 34 SER C -170.00 110.00 55.64 37.84 -72.34 . . 0 "[ . 1 . ]"
53 PSI 1 34 SER N 1 34 SER CA 1 34 SER C 1 35 ALA N -100.00 60.00 8.80 -48.46 44.82 . . 0 "[ . 1 . ]"
54 PHI 1 35 ALA C 1 36 ILE N 1 36 ILE CA 1 36 ILE C -170.00 100.00 -83.92 -149.99 -47.22 . . 0 "[ . 1 . ]"
55 PSI 1 36 ILE N 1 36 ILE CA 1 36 ILE C 1 37 GLN N -179.00 60.00 104.97 15.24 -179.14 2.31 10 0 "[ . 1 . ]"
56 CHI1 1 36 ILE N 1 36 ILE CA 1 36 ILE CB 1 36 ILE CG1 60.00 180.00 131.39 -179.55 -179.68 3.96 14 0 "[ . 1 . ]"
57 PSI 1 37 GLN N 1 37 GLN CA 1 37 GLN C 1 38 ASN N 0.00 100.00 74.80 95.39 81.62 0.98 16 0 "[ . 1 . ]"
58 PHI 1 36 ILE C 1 37 GLN N 1 37 GLN CA 1 37 GLN C -160.00 90.00 -70.28 -91.95 -105.25 . . 0 "[ . 1 . ]"
59 CHI1 1 37 GLN N 1 37 GLN CA 1 37 GLN CB 1 37 GLN CG 150.00 -30.00 -70.71 -55.14 -68.47 4.33 16 0 "[ . 1 . ]"
60 PHI 1 40 GLY C 1 41 TYR N 1 41 TYR CA 1 41 TYR C -170.00 30.00 -38.62 -124.83 31.31 1.31 7 0 "[ . 1 . ]"
61 PSI 1 41 TYR N 1 41 TYR CA 1 41 TYR C 1 42 LYS N 50.00 120.00 87.96 104.93 88.00 2.06 7 0 "[ . 1 . ]"
62 CHI1 1 41 TYR N 1 41 TYR CA 1 41 TYR CB 1 41 TYR CG -90.00 -150.00 -124.23 -150.17 -150.31 0.49 9 0 "[ . 1 . ]"
63 PHI 1 42 LYS C 1 43 SER N 1 43 SER CA 1 43 SER C -170.00 80.00 -167.23 -169.32 -169.99 1.17 7 0 "[ . 1 . ]"
64 PSI 1 43 SER N 1 43 SER CA 1 43 SER C 1 44 LEU N 100.00 -140.00 144.41 109.01 -154.81 . . 0 "[ . 1 . ]"
65 CHI1 1 43 SER N 1 43 SER CA 1 43 SER CB 1 43 SER OG -110.00 0.00 -71.74 -74.05 -84.45 0.26 14 0 "[ . 1 . ]"
66 PHI 1 43 SER C 1 44 LEU N 1 44 LEU CA 1 44 LEU C -179.00 30.00 -113.76 -145.25 32.28 2.28 13 0 "[ . 1 . ]"
67 PSI 1 44 LEU N 1 44 LEU CA 1 44 LEU C 1 45 ASP N 120.00 -140.00 172.46 -170.25 173.81 2.05 11 0 "[ . 1 . ]"
68 CHI1 1 44 LEU N 1 44 LEU CA 1 44 LEU CB 1 44 LEU CG 170.00 -30.00 -101.88 -161.20 -29.68 0.32 13 0 "[ . 1 . ]"
69 PSI 1 48 GLN N 1 48 GLN CA 1 48 GLN C 1 49 LYS N 90.00 -170.00 144.61 124.54 162.42 . . 0 "[ . 1 . ]"
70 CHI1 1 48 GLN N 1 48 GLN CA 1 48 GLN CB 1 48 GLN CG -60.00 179.00 164.10 -62.91 175.88 2.91 3 0 "[ . 1 . ]"
71 PHI 1 47 GLY C 1 48 GLN N 1 48 GLN CA 1 48 GLN C -179.00 30.00 -145.62 -174.39 -106.20 . . 0 "[ . 1 . ]"
72 PHI 1 48 GLN C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -170.00 -70.00 -85.13 -108.03 -68.89 1.11 15 0 "[ . 1 . ]"
73 PSI 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 VAL N 50.00 -170.00 121.45 103.18 133.75 . . 0 "[ . 1 . ]"
74 CHI1 1 49 LYS N 1 49 LYS CA 1 49 LYS CB 1 49 LYS CG -160.00 -80.00 -154.92 -160.41 -121.52 0.41 3 0 "[ . 1 . ]"
75 PHI 1 49 LYS C 1 50 VAL N 1 50 VAL CA 1 50 VAL C -179.00 -60.00 -135.83 -129.08 -136.10 . . 0 "[ . 1 . ]"
76 PSI 1 50 VAL N 1 50 VAL CA 1 50 VAL C 1 51 SER N 110.00 -140.00 172.41 171.93 165.70 . . 0 "[ . 1 . ]"
77 CHI1 1 50 VAL N 1 50 VAL CA 1 50 VAL CB 1 50 VAL CG1 -90.00 40.00 -39.76 -29.53 -33.80 . . 0 "[ . 1 . ]"
78 PHI 1 51 SER C 1 52 PHE N 1 52 PHE CA 1 52 PHE C -170.00 90.00 -143.61 -153.49 -159.31 0.29 5 0 "[ . 1 . ]"
79 PSI 1 52 PHE N 1 52 PHE CA 1 52 PHE C 1 53 THR N 110.00 -130.00 -173.78 -159.60 -161.45 . . 0 "[ . 1 . ]"
80 CHI1 1 52 PHE N 1 52 PHE CA 1 52 PHE CB 1 52 PHE CG -179.00 110.00 48.22 37.43 31.52 . . 0 "[ . 1 . ]"
81 PHI 1 52 PHE C 1 53 THR N 1 53 THR CA 1 53 THR C -179.00 -60.00 -133.92 -152.48 -154.24 . . 0 "[ . 1 . ]"
82 PSI 1 53 THR N 1 53 THR CA 1 53 THR C 1 54 ILE N 30.00 100.00 51.41 27.69 100.59 2.31 12 0 "[ . 1 . ]"
83 CHI1 1 53 THR N 1 53 THR CA 1 53 THR CB 1 53 THR OG1 90.00 170.00 162.34 170.85 170.83 3.52 9 0 "[ . 1 . ]"
84 PHI 1 53 THR C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -160.00 90.00 -2.37 36.95 34.35 . . 0 "[ . 1 . ]"
85 CHI1 1 54 ILE N 1 54 ILE CA 1 54 ILE CB 1 54 ILE CG1 170.00 30.00 -74.24 168.00 -19.91 2.00 5 0 "[ . 1 . ]"
86 PHI 1 54 ILE C 1 55 GLU N 1 55 GLU CA 1 55 GLU C -179.00 -60.00 -130.15 -179.73 -65.81 0.73 6 0 "[ . 1 . ]"
87 PSI 1 55 GLU N 1 55 GLU CA 1 55 GLU C 1 56 SER N 120.00 -140.00 164.23 178.41 171.75 0.99 14 0 "[ . 1 . ]"
88 CHI1 1 55 GLU N 1 55 GLU CA 1 55 GLU CB 1 55 GLU CG -110.00 0.00 -97.51 -110.05 -65.43 0.05 6 0 "[ . 1 . ]"
89 PHI 1 55 GLU C 1 56 SER N 1 56 SER CA 1 56 SER C -160.00 80.00 -128.86 66.67 -93.22 0.94 14 0 "[ . 1 . ]"
90 PSI 1 56 SER N 1 56 SER CA 1 56 SER C 1 57 GLY N 30.00 140.00 126.83 29.99 140.11 0.11 6 0 "[ . 1 . ]"
91 CHI1 1 56 SER N 1 56 SER CA 1 56 SER CB 1 56 SER OG 170.00 150.00 153.08 64.17 -135.55 0.07 7 0 "[ . 1 . ]"
92 PSI 1 61 PRO N 1 61 PRO CA 1 61 PRO C 1 62 ALA N 110.00 -170.00 146.55 109.42 -175.83 0.58 15 0 "[ . 1 . ]"
93 PHI 1 64 GLY C 1 65 ASN N 1 65 ASN CA 1 65 ASN C 20.00 100.00 52.30 25.69 102.48 2.48 13 0 "[ . 1 . ]"
94 PSI 1 65 ASN N 1 65 ASN CA 1 65 ASN C 1 66 VAL N 20.00 110.00 69.76 39.98 113.97 3.97 15 0 "[ . 1 . ]"
95 CHI1 1 65 ASN N 1 65 ASN CA 1 65 ASN CB 1 65 ASN CG -160.00 -80.00 -86.11 -79.81 -79.91 2.95 13 0 "[ . 1 . ]"
96 PHI 1 65 ASN C 1 66 VAL N 1 66 VAL CA 1 66 VAL C -170.00 30.00 -96.17 -80.65 -81.65 . . 0 "[ . 1 . ]"
97 PSI 1 66 VAL N 1 66 VAL CA 1 66 VAL C 1 67 THR N 100.00 -0.00 117.37 112.65 104.39 7.38 15 1 "[ . 1 + ]"
98 CHI1 1 66 VAL N 1 66 VAL CA 1 66 VAL CB 1 66 VAL CG1 -140.00 140.00 -139.01 140.35 -65.60 2.01 6 0 "[ . 1 . ]"
99 PHI 1 66 VAL C 1 67 THR N 1 67 THR CA 1 67 THR C -170.00 -60.00 -119.86 -169.93 -67.16 . . 0 "[ . 1 . ]"
100 PSI 1 67 THR N 1 67 THR CA 1 67 THR C 1 68 SER N 120.00 -130.00 131.44 119.21 167.86 0.79 10 0 "[ . 1 . ]"
101 CHI1 1 67 THR N 1 67 THR CA 1 67 THR CB 1 67 THR OG1 90.00 -160.00 154.95 141.92 177.56 . . 0 "[ . 1 . ]"
102 PHI 1 67 THR C 1 68 SER N 1 68 SER CA 1 68 SER C -90.00 40.00 -65.54 -80.87 -85.89 . . 0 "[ . 1 . ]"
103 PSI 1 68 SER N 1 68 SER CA 1 68 SER C 1 69 LEU N 110.00 -170.00 138.96 146.39 142.01 . . 0 "[ . 1 . ]"
104 CHI1 1 68 SER N 1 68 SER CA 1 68 SER CB 1 68 SER OG 0.00 80.00 50.78 63.90 56.28 0.25 16 0 "[ . 1 . ]"
105 PHI 1 68 SER C 1 69 LEU N 1 69 LEU CA 1 69 LEU C -160.00 70.00 -104.05 17.40 -44.85 0.76 8 0 "[ . 1 . ]"
106 CHI1 1 69 LEU N 1 69 LEU CA 1 69 LEU CB 1 69 LEU CG 30.00 -10.00 -97.35 29.75 -67.93 0.25 15 0 "[ . 1 . ]"
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