Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
444403 | 2khc RC | 16236 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2khc
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 223
_TA_constraint_stats_list.Viol_count 937
_TA_constraint_stats_list.Viol_total 39731.53
_TA_constraint_stats_list.Viol_max 43.58
_TA_constraint_stats_list.Viol_rms 4.52
_TA_constraint_stats_list.Viol_average_all_restraints 1.78
_TA_constraint_stats_list.Viol_average_violations_only 4.24
_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 ALA N 1 1 ALA CA 1 1 ALA C 1 2 ALA N 78.01 -178.17 127.66 77.90 170.05 0.11 10 0 "[ . 1]"
2 . 1 1 ALA C 1 2 ALA N 1 2 ALA CA 1 2 ALA C -140.30 -40.32 -100.09 -129.82 -59.76 . . 0 "[ . 1]"
3 . 1 2 ALA N 1 2 ALA CA 1 2 ALA C 1 3 GLY N -51.61 52.21 -7.01 -30.02 -30.07 . . 0 "[ . 1]"
4 . 1 2 ALA C 1 3 GLY N 1 3 GLY CA 1 3 GLY C 50.41 135.19 98.88 103.97 93.86 . . 0 "[ . 1]"
5 . 1 3 GLY N 1 3 GLY CA 1 3 GLY C 1 4 LEU N -29.11 56.41 16.51 -19.45 39.95 . . 0 "[ . 1]"
6 . 1 3 GLY C 1 4 LEU N 1 4 LEU CA 1 4 LEU C -135.01 -93.35 -117.42 -135.04 -93.36 0.03 2 0 "[ . 1]"
7 . 1 4 LEU N 1 4 LEU CA 1 4 LEU C 1 5 PRO N 96.21 141.41 111.56 100.42 97.65 0.14 10 0 "[ . 1]"
8 . 1 4 LEU C 1 5 PRO N 1 5 PRO CA 1 5 PRO C -140.01 -99.59 -98.46 -98.37 -98.43 1.27 9 0 "[ . 1]"
9 . 1 5 PRO N 1 5 PRO CA 1 5 PRO C 1 6 GLN N 109.66 158.94 156.05 130.88 159.26 0.32 9 0 "[ . 1]"
10 . 1 5 PRO C 1 6 GLN N 1 6 GLN CA 1 6 GLN C -103.79 -43.81 -104.56 -104.99 -104.38 1.20 10 0 "[ . 1]"
11 . 1 6 GLN N 1 6 GLN CA 1 6 GLN C 1 7 PHE N 108.95 172.83 144.61 172.82 153.18 0.09 10 0 "[ . 1]"
12 . 1 6 GLN C 1 7 PHE N 1 7 PHE CA 1 7 PHE C -128.21 -48.23 -101.62 -88.08 -105.30 0.02 6 0 "[ . 1]"
13 . 1 7 PHE N 1 7 PHE CA 1 7 PHE C 1 8 GLY N 103.40 -172.76 145.82 108.34 -177.14 . . 0 "[ . 1]"
14 . 1 7 PHE C 1 8 GLY N 1 8 GLY CA 1 8 GLY C 32.99 138.97 116.53 131.10 121.91 . . 0 "[ . 1]"
15 . 1 8 GLY N 1 8 GLY CA 1 8 GLY C 1 9 SER N -39.04 66.84 -5.93 -30.93 31.29 . . 0 "[ . 1]"
16 . 1 8 GLY C 1 9 SER N 1 9 SER CA 1 9 SER C -148.82 -48.84 -99.45 -125.09 -125.86 . . 0 "[ . 1]"
17 . 1 9 SER N 1 9 SER CA 1 9 SER C 1 10 ALA N 91.34 -164.84 135.15 156.41 147.43 . . 0 "[ . 1]"
18 . 1 9 SER C 1 10 ALA N 1 10 ALA CA 1 10 ALA C -122.93 -42.95 -95.19 -115.15 -73.29 . . 0 "[ . 1]"
19 . 1 10 ALA N 1 10 ALA CA 1 10 ALA C 1 11 SER N 118.37 -157.79 142.85 151.99 138.27 . . 0 "[ . 1]"
20 . 1 10 ALA C 1 11 SER N 1 11 SER CA 1 11 SER C -124.39 -44.41 -91.28 -74.61 -83.95 . . 0 "[ . 1]"
21 . 1 11 SER N 1 11 SER CA 1 11 SER C 1 12 ALA N 103.97 -172.19 140.68 107.29 -172.22 . . 0 "[ . 1]"
22 . 1 11 SER C 1 12 ALA N 1 12 ALA CA 1 12 ALA C -91.39 -51.41 -80.24 -87.76 -66.12 . . 0 "[ . 1]"
23 . 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 LEU N 115.08 159.00 137.07 145.62 141.62 . . 0 "[ . 1]"
24 . 1 12 ALA C 1 13 LEU N 1 13 LEU CA 1 13 LEU C -116.03 -56.05 -112.41 -116.00 -106.70 . . 0 "[ . 1]"
25 . 1 13 LEU N 1 13 LEU CA 1 13 LEU C 1 14 SER N 106.70 170.58 125.22 118.38 107.29 . . 0 "[ . 1]"
26 . 1 13 LEU C 1 14 SER N 1 14 SER CA 1 14 SER C -99.83 -39.85 -89.46 -99.88 -75.60 0.05 9 0 "[ . 1]"
27 . 1 14 SER N 1 14 SER CA 1 14 SER C 1 15 THR N 118.25 -177.87 136.53 118.28 165.64 . . 0 "[ . 1]"
28 . 1 14 SER C 1 15 THR N 1 15 THR CA 1 15 THR C -109.40 -49.42 -87.20 -79.61 -89.90 . . 0 "[ . 1]"
29 . 1 15 THR N 1 15 THR CA 1 15 THR C 1 16 SER N 100.47 164.35 144.39 123.25 164.64 0.29 10 0 "[ . 1]"
30 . 1 15 THR C 1 16 SER N 1 16 SER CA 1 16 SER C -134.34 -94.36 -118.35 -120.28 -125.44 0.00 6 0 "[ . 1]"
31 . 1 16 SER N 1 16 SER CA 1 16 SER C 1 17 PRO N 120.18 164.10 143.40 123.58 153.60 . . 0 "[ . 1]"
32 . 1 20 SER C 1 21 VAL N 1 21 VAL CA 1 21 VAL C -137.02 -96.60 -119.55 -137.03 -98.65 0.01 3 0 "[ . 1]"
33 . 1 21 VAL N 1 21 VAL CA 1 21 VAL C 1 22 ALA N 105.96 155.24 130.72 106.60 148.96 . . 0 "[ . 1]"
34 . 1 21 VAL C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -92.47 -52.49 -75.70 -70.15 -74.53 . . 0 "[ . 1]"
35 . 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 LEU N 114.96 158.88 145.07 128.71 125.26 0.08 8 0 "[ . 1]"
36 . 1 22 ALA C 1 23 LEU N 1 23 LEU CA 1 23 LEU C -110.26 -47.78 -92.35 -109.75 -59.83 . . 0 "[ . 1]"
37 . 1 23 LEU N 1 23 LEU CA 1 23 LEU C 1 24 SER N 95.02 160.76 126.13 94.95 158.84 0.07 2 0 "[ . 1]"
38 . 1 24 SER C 1 25 ALA N 1 25 ALA CA 1 25 ALA C -106.95 -66.97 -89.08 -106.97 -67.05 0.02 9 0 "[ . 1]"
39 . 1 25 ALA N 1 25 ALA CA 1 25 ALA C 1 26 ALA N 122.01 165.93 136.72 144.64 136.20 . . 0 "[ . 1]"
40 . 1 25 ALA C 1 26 ALA N 1 26 ALA CA 1 26 ALA C -123.10 -63.12 -102.63 -123.06 -123.06 . . 0 "[ . 1]"
41 . 1 26 ALA N 1 26 ALA CA 1 26 ALA C 1 27 ALA N 91.46 155.34 131.96 101.73 153.36 . . 0 "[ . 1]"
42 . 1 26 ALA C 1 27 ALA N 1 27 ALA CA 1 27 ALA C -133.13 -53.15 -92.35 -104.41 -106.28 . . 0 "[ . 1]"
43 . 1 27 ALA N 1 27 ALA CA 1 27 ALA C 1 28 ALA N 81.83 165.67 116.94 120.86 104.26 0.05 6 0 "[ . 1]"
44 . 1 27 ALA C 1 28 ALA N 1 28 ALA CA 1 28 ALA C -90.00 -30.00 -75.08 -89.91 -60.14 . . 0 "[ . 1]"
45 . 1 28 ALA N 1 28 ALA CA 1 28 ALA C 1 29 ALA N 81.83 165.67 142.00 98.97 165.97 0.30 9 0 "[ . 1]"
46 . 1 28 ALA C 1 29 ALA N 1 29 ALA CA 1 29 ALA C -133.13 -53.15 -90.69 -108.65 -113.72 0.22 9 0 "[ . 1]"
47 . 1 29 ALA N 1 29 ALA CA 1 29 ALA C 1 30 ALA N 81.83 165.67 130.95 156.78 140.35 0.02 5 0 "[ . 1]"
48 . 1 29 ALA C 1 30 ALA N 1 30 ALA CA 1 30 ALA C -161.92 -81.94 -114.62 -161.94 -81.84 0.10 6 0 "[ . 1]"
49 . 1 30 ALA N 1 30 ALA CA 1 30 ALA C 1 31 ALA N 84.27 168.11 130.37 83.05 168.73 1.22 4 0 "[ . 1]"
50 . 1 30 ALA C 1 31 ALA N 1 31 ALA CA 1 31 ALA C -130.00 -49.16 -93.19 -130.15 -48.80 0.36 9 0 "[ . 1]"
51 . 1 31 ALA N 1 31 ALA CA 1 31 ALA C 1 32 GLY N 84.09 178.17 137.61 131.09 123.86 3.23 4 0 "[ . 1]"
52 . 1 31 ALA C 1 32 GLY N 1 32 GLY CA 1 32 GLY C -122.69 -16.71 -38.44 -89.87 -10.56 6.15 4 1 "[ +. 1]"
53 . 1 32 GLY N 1 32 GLY CA 1 32 GLY C 1 33 LYS N -36.21 69.67 -10.13 -40.56 76.44 6.77 4 1 "[ +. 1]"
54 . 1 32 GLY C 1 33 LYS N 1 33 LYS CA 1 33 LYS C -142.90 -62.92 -126.91 -139.85 -143.04 5.18 4 1 "[ +. 1]"
55 . 1 33 LYS N 1 33 LYS CA 1 33 LYS C 1 34 GLN N 110.07 -166.09 176.11 -163.93 -164.65 3.61 4 0 "[ . 1]"
56 . 1 33 LYS C 1 34 GLN N 1 34 GLN CA 1 34 GLN C -123.11 -43.13 -63.49 -41.75 -42.14 4.07 4 0 "[ . 1]"
57 . 1 34 GLN N 1 34 GLN CA 1 34 GLN C 1 35 ILE N 101.54 -174.62 161.94 165.60 164.45 0.74 8 0 "[ . 1]"
58 . 1 34 GLN C 1 35 ILE N 1 35 ILE CA 1 35 ILE C -119.74 -39.76 -72.70 -121.03 -39.79 1.29 9 0 "[ . 1]"
59 . 1 35 ILE N 1 35 ILE CA 1 35 ILE C 1 36 GLU N 100.91 -175.25 168.83 117.86 -174.76 0.49 4 0 "[ . 1]"
60 . 1 35 ILE C 1 36 GLU N 1 36 GLU CA 1 36 GLU C -128.46 -48.48 -76.12 -59.73 -65.21 0.61 10 0 "[ . 1]"
61 . 1 36 GLU N 1 36 GLU CA 1 36 GLU C 1 37 GLY N 88.59 172.43 144.89 106.87 161.98 . . 0 "[ . 1]"
62 . 1 36 GLU C 1 37 GLY N 1 37 GLY CA 1 37 GLY C -144.02 -77.50 -144.64 -144.93 -144.23 0.91 3 0 "[ . 1]"
63 . 1 37 GLY N 1 37 GLY CA 1 37 GLY C 1 38 PRO N 122.11 -169.27 -172.48 169.45 -167.91 1.36 4 0 "[ . 1]"
64 . 1 37 GLY C 1 38 PRO N 1 38 PRO CA 1 38 PRO C -114.18 -33.34 -64.98 -51.53 -56.12 . . 0 "[ . 1]"
65 . 1 38 PRO N 1 38 PRO CA 1 38 PRO C 1 39 GLU N 100.47 -165.45 120.88 100.38 133.97 0.09 10 0 "[ . 1]"
66 . 1 38 PRO C 1 39 GLU N 1 39 GLU CA 1 39 GLU C -91.36 -31.38 -70.46 -69.09 -70.45 . . 0 "[ . 1]"
67 . 1 39 GLU N 1 39 GLU CA 1 39 GLU C 1 40 GLY N 104.87 168.75 169.61 166.02 171.05 2.30 5 0 "[ . 1]"
68 . 1 39 GLU C 1 40 GLY N 1 40 GLY CA 1 40 GLY C 42.65 127.43 128.51 127.43 129.69 2.26 3 0 "[ . 1]"
69 . 1 40 GLY N 1 40 GLY CA 1 40 GLY C 1 41 CYS N -49.48 36.04 -10.53 -32.91 4.43 . . 0 "[ . 1]"
70 . 1 40 GLY C 1 41 CYS N 1 41 CYS CA 1 41 CYS C -123.63 -63.65 -118.86 -125.10 -92.02 1.47 9 0 "[ . 1]"
71 . 1 41 CYS N 1 41 CYS CA 1 41 CYS C 1 42 ASN N -49.35 14.53 32.47 32.34 31.87 19.28 3 10 [**+**-****]
72 . 1 41 CYS C 1 42 ASN N 1 42 ASN CA 1 42 ASN C -165.51 -105.53 -96.86 -95.23 -95.91 10.48 8 10 [****-**+**]
73 . 1 42 ASN N 1 42 ASN CA 1 42 ASN C 1 43 LEU N 107.31 171.19 146.29 127.72 163.61 . . 0 "[ . 1]"
74 . 1 42 ASN C 1 43 LEU N 1 43 LEU CA 1 43 LEU C -145.01 -105.03 -131.01 -121.80 -125.10 0.86 7 0 "[ . 1]"
75 . 1 43 LEU N 1 43 LEU CA 1 43 LEU C 1 44 PHE N 111.96 155.88 145.06 143.84 140.10 0.11 5 0 "[ . 1]"
76 . 1 43 LEU C 1 44 PHE N 1 44 PHE CA 1 44 PHE C -149.46 -109.48 -122.90 -133.54 -112.54 . . 0 "[ . 1]"
77 . 1 44 PHE N 1 44 PHE CA 1 44 PHE C 1 45 ILE N 118.68 162.60 118.07 116.74 121.89 1.94 2 0 "[ . 1]"
78 . 1 44 PHE C 1 45 ILE N 1 45 ILE CA 1 45 ILE C -134.67 -94.69 -121.33 -124.51 -119.02 . . 0 "[ . 1]"
79 . 1 45 ILE N 1 45 ILE CA 1 45 ILE C 1 46 TYR N 111.57 155.49 147.09 148.94 148.34 . . 0 "[ . 1]"
80 . 1 45 ILE C 1 46 TYR N 1 46 TYR CA 1 46 TYR C -144.62 -104.64 -140.95 -144.02 -145.28 1.73 1 0 "[ . 1]"
81 . 1 46 TYR N 1 46 TYR CA 1 46 TYR C 1 47 HIS N 105.22 149.14 93.84 89.49 96.36 15.73 7 10 [******+**-]
82 . 1 46 TYR C 1 47 HIS N 1 47 HIS CA 1 47 HIS C -91.09 -71.09 -131.35 -129.52 -129.62 43.58 7 10 [******+**-]
83 . 1 47 HIS N 1 47 HIS CA 1 47 HIS C 1 48 LEU N -16.92 5.04 -38.24 -37.76 -38.32 22.78 8 10 [***-***+**]
84 . 1 47 HIS C 1 48 LEU N 1 48 LEU CA 1 48 LEU C -113.67 -73.69 -79.14 -93.52 -115.38 3.72 6 0 "[ . 1]"
85 . 1 48 LEU N 1 48 LEU CA 1 48 LEU C 1 49 PRO N 141.46 -174.62 148.64 140.23 165.51 1.23 7 0 "[ . 1]"
86 . 1 48 LEU C 1 49 PRO N 1 49 PRO CA 1 49 PRO C -85.94 -45.52 -72.26 -86.56 -45.46 0.62 4 0 "[ . 1]"
87 . 1 49 PRO N 1 49 PRO CA 1 49 PRO C 1 50 GLN N 123.34 172.62 173.82 172.49 174.64 2.02 1 0 "[ . 1]"
88 . 1 49 PRO C 1 50 GLN N 1 50 GLN CA 1 50 GLN C -69.37 -49.37 -52.13 -61.38 -49.01 0.36 1 0 "[ . 1]"
89 . 1 50 GLN N 1 50 GLN CA 1 50 GLN C 1 51 GLU N -45.75 -23.79 -22.37 -22.66 -22.66 2.22 5 0 "[ . 1]"
90 . 1 50 GLN C 1 51 GLU N 1 51 GLU CA 1 51 GLU C -108.84 -68.86 -82.48 -88.33 -68.34 0.52 1 0 "[ . 1]"
91 . 1 51 GLU N 1 51 GLU CA 1 51 GLU C 1 52 PHE N -15.58 26.34 -1.66 0.48 -5.81 0.52 10 0 "[ . 1]"
92 . 1 51 GLU C 1 52 PHE N 1 52 PHE CA 1 52 PHE C -94.64 -54.66 -88.28 -94.98 -67.57 0.34 9 0 "[ . 1]"
93 . 1 52 PHE N 1 52 PHE CA 1 52 PHE C 1 53 THR N 115.59 159.51 132.95 127.65 115.05 0.54 1 0 "[ . 1]"
94 . 1 52 PHE C 1 53 THR N 1 53 THR CA 1 53 THR C -108.66 -68.68 -102.44 -109.00 -87.66 0.34 10 0 "[ . 1]"
95 . 1 53 THR N 1 53 THR CA 1 53 THR C 1 54 ASP N 152.16 -163.92 150.54 150.71 149.92 2.94 1 0 "[ . 1]"
96 . 1 53 THR C 1 54 ASP N 1 54 ASP CA 1 54 ASP C -69.03 -49.03 -68.54 -70.22 -70.63 2.56 1 0 "[ . 1]"
97 . 1 54 ASP N 1 54 ASP CA 1 54 ASP C 1 55 THR N -49.82 -27.86 -26.83 -26.79 -26.95 1.43 5 0 "[ . 1]"
98 . 1 54 ASP C 1 55 THR N 1 55 THR CA 1 55 THR C -76.40 -56.40 -57.02 -58.35 -65.06 1.04 5 0 "[ . 1]"
99 . 1 55 THR N 1 55 THR CA 1 55 THR C 1 56 ASP N -53.08 -31.12 -30.04 -30.17 -30.64 1.53 9 0 "[ . 1]"
100 . 1 55 THR C 1 56 ASP N 1 56 ASP CA 1 56 ASP C -71.46 -51.46 -66.43 -65.66 -66.43 . . 0 "[ . 1]"
101 . 1 56 ASP N 1 56 ASP CA 1 56 ASP C 1 57 LEU N -46.74 -24.78 -47.48 -48.32 -46.89 1.58 3 0 "[ . 1]"
102 . 1 56 ASP C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -77.55 -57.55 -65.46 -73.43 -62.32 . . 0 "[ . 1]"
103 . 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 ALA N -48.35 -26.39 -45.35 -44.25 -47.24 0.98 8 0 "[ . 1]"
104 . 1 57 LEU C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -69.99 -49.99 -57.11 -62.94 -51.64 . . 0 "[ . 1]"
105 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 SER N -57.17 -35.21 -43.39 -41.86 -45.78 . . 0 "[ . 1]"
106 . 1 58 ALA C 1 59 SER N 1 59 SER CA 1 59 SER C -76.68 -56.68 -64.36 -74.83 -56.53 0.15 1 0 "[ . 1]"
107 . 1 59 SER N 1 59 SER CA 1 59 SER C 1 60 THR N -55.90 -33.94 -44.19 -54.87 -36.29 . . 0 "[ . 1]"
108 . 1 59 SER C 1 60 THR N 1 60 THR CA 1 60 THR C -70.38 -50.38 -63.06 -59.21 -60.23 0.50 8 0 "[ . 1]"
109 . 1 60 THR N 1 60 THR CA 1 60 THR C 1 61 PHE N -54.10 -32.14 -50.79 -38.03 -55.17 4.82 8 0 "[ . 1]"
110 . 1 60 THR C 1 61 PHE N 1 61 PHE CA 1 61 PHE C -73.52 -53.52 -76.12 -74.80 -75.37 5.30 8 1 "[ . + 1]"
111 . 1 61 PHE N 1 61 PHE CA 1 61 PHE C 1 62 LEU N -41.35 -19.39 -6.95 -12.48 -1.96 17.43 1 10 [+**-******]
112 . 1 61 PHE C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -73.89 -53.89 -38.95 -42.63 -35.83 18.06 1 10 [+*****-***]
113 . 1 62 LEU N 1 62 LEU CA 1 62 LEU C 1 63 PRO N -58.20 -36.24 -34.15 -35.32 -31.89 4.35 5 0 "[ . 1]"
114 . 1 62 LEU C 1 63 PRO N 1 63 PRO CA 1 63 PRO C -99.46 -38.82 -41.74 -51.80 -36.79 2.03 10 0 "[ . 1]"
115 . 1 63 PRO N 1 63 PRO CA 1 63 PRO C 1 64 PHE N -55.73 15.95 -28.95 -38.64 -16.62 . . 0 "[ . 1]"
116 . 1 63 PRO C 1 64 PHE N 1 64 PHE CA 1 64 PHE C -133.25 -53.27 -56.56 -66.78 -52.05 1.22 1 0 "[ . 1]"
117 . 1 64 PHE N 1 64 PHE CA 1 64 PHE C 1 65 GLY N -41.81 42.03 18.08 59.25 58.78 22.46 3 10 [-*+*******]
118 . 1 64 PHE C 1 65 GLY N 1 65 GLY CA 1 65 GLY C -114.45 -29.67 -54.54 -12.67 -13.32 21.60 4 10 [-**+******]
119 . 1 65 GLY N 1 65 GLY CA 1 65 GLY C 1 66 ASN N 135.29 -139.19 -131.72 -125.39 -125.70 14.69 6 6 "[-* *+ **]"
120 . 1 65 GLY C 1 66 ASN N 1 66 ASN CA 1 66 ASN C -126.33 -46.35 -62.94 -99.53 -40.72 5.63 10 3 "[* - +]"
121 . 1 66 ASN N 1 66 ASN CA 1 66 ASN C 1 67 VAL N 82.68 166.52 120.47 114.01 108.36 . . 0 "[ . 1]"
122 . 1 66 ASN C 1 67 VAL N 1 67 VAL CA 1 67 VAL C -148.92 -68.94 -103.47 -118.13 -91.62 . . 0 "[ . 1]"
123 . 1 67 VAL N 1 67 VAL CA 1 67 VAL C 1 68 ILE N 79.55 163.39 118.39 115.27 113.87 . . 0 "[ . 1]"
124 . 1 67 VAL C 1 68 ILE N 1 68 ILE CA 1 68 ILE C -116.60 -36.62 -118.86 -119.81 -118.09 3.21 3 0 "[ . 1]"
125 . 1 68 ILE N 1 68 ILE CA 1 68 ILE C 1 69 SER N 85.74 169.58 97.08 122.01 107.65 0.72 7 0 "[ . 1]"
126 . 1 68 ILE C 1 69 SER N 1 69 SER CA 1 69 SER C -162.69 -102.71 -108.18 -125.19 -99.98 2.73 3 0 "[ . 1]"
127 . 1 69 SER N 1 69 SER CA 1 69 SER C 1 70 ALA N 132.09 -164.03 144.43 145.29 143.19 2.74 8 0 "[ . 1]"
128 . 1 69 SER C 1 70 ALA N 1 70 ALA CA 1 70 ALA C -147.24 -87.26 -137.95 -149.38 -118.95 2.14 6 0 "[ . 1]"
129 . 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1 71 LYS N 112.67 176.55 161.00 152.29 170.02 . . 0 "[ . 1]"
130 . 1 70 ALA C 1 71 LYS N 1 71 LYS CA 1 71 LYS C -142.54 -102.56 -129.43 -134.10 -134.96 0.09 8 0 "[ . 1]"
131 . 1 71 LYS N 1 71 LYS CA 1 71 LYS C 1 72 VAL N 107.68 151.60 148.99 149.94 149.84 0.10 7 0 "[ . 1]"
132 . 1 71 LYS C 1 72 VAL N 1 72 VAL CA 1 72 VAL C -127.44 -87.46 -125.12 -123.82 -127.51 0.93 1 0 "[ . 1]"
133 . 1 72 VAL N 1 72 VAL CA 1 72 VAL C 1 73 PHE N 97.65 141.57 103.64 96.91 129.70 0.74 2 0 "[ . 1]"
134 . 1 72 VAL C 1 73 PHE N 1 73 PHE CA 1 73 PHE C -127.58 -87.60 -98.86 -116.66 -85.75 1.85 6 0 "[ . 1]"
135 . 1 73 PHE N 1 73 PHE CA 1 73 PHE C 1 74 ILE N 100.30 144.22 133.66 122.54 146.03 1.81 7 0 "[ . 1]"
136 . 1 73 PHE C 1 74 ILE N 1 74 ILE CA 1 74 ILE C -127.04 -87.06 -121.22 -129.63 -86.65 2.59 2 0 "[ . 1]"
137 . 1 74 ILE N 1 74 ILE CA 1 74 ILE C 1 75 ASP N 125.18 169.10 152.40 134.37 127.87 3.60 7 0 "[ . 1]"
138 . 1 74 ILE C 1 75 ASP N 1 75 ASP CA 1 75 ASP C -154.14 -94.16 -127.94 -156.54 -90.38 3.78 5 0 "[ . 1]"
139 . 1 75 ASP N 1 75 ASP CA 1 75 ASP C 1 76 LYS N 90.58 154.46 112.52 87.08 146.68 3.50 2 0 "[ . 1]"
140 . 1 75 ASP C 1 76 LYS N 1 76 LYS CA 1 76 LYS C -98.06 -38.08 -75.50 -102.67 -48.00 4.61 2 0 "[ . 1]"
141 . 1 76 LYS N 1 76 LYS CA 1 76 LYS C 1 77 GLN N -63.99 -0.11 -40.52 -71.75 3.73 7.76 10 3 "[-* . +]"
142 . 1 76 LYS C 1 77 GLN N 1 77 GLN CA 1 77 GLN C -98.71 -38.73 -79.09 -104.73 -106.06 8.44 10 3 "[*- . +]"
143 . 1 77 GLN N 1 77 GLN CA 1 77 GLN C 1 78 THR N -65.00 -1.12 -70.20 -68.56 -74.13 10.12 1 4 "[+ *.- *]"
144 . 1 77 GLN C 1 78 THR N 1 78 THR CA 1 78 THR C -125.41 -65.43 -131.50 -131.73 -136.17 12.48 10 5 "[* *.* -+]"
145 . 1 78 THR N 1 78 THR CA 1 78 THR C 1 79 SER N -36.38 27.50 -14.17 0.64 -18.83 5.48 6 2 "[ -.+ 1]"
146 . 1 78 THR C 1 79 SER N 1 79 SER CA 1 79 SER C -93.80 -33.82 -93.88 -71.47 -94.32 7.86 6 2 "[ -.+ 1]"
147 . 1 79 SER N 1 79 SER CA 1 79 SER C 1 80 LEU N -57.75 6.13 -30.37 11.67 6.85 8.13 3 5 "[ -+ * ** 1]"
148 . 1 79 SER C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -149.85 -69.87 -123.14 -69.45 -92.92 8.97 2 5 "[ +* * *- 1]"
149 . 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 SER N 122.03 -154.13 148.70 -152.86 134.95 4.06 4 0 "[ . 1]"
150 . 1 80 LEU C 1 81 SER N 1 81 SER CA 1 81 SER C -110.67 -30.69 -82.23 -49.10 -73.75 4.87 4 0 "[ . 1]"
151 . 1 81 SER N 1 81 SER CA 1 81 SER C 1 82 LYS N 96.16 180.00 109.52 83.49 -178.97 12.67 2 7 "[-+* * ** *]"
152 . 1 81 SER C 1 82 LYS N 1 82 LYS CA 1 82 LYS C -140.54 -57.22 -124.73 -153.63 -55.86 13.09 2 7 "[-+* * ** *]"
153 . 1 82 LYS N 1 82 LYS CA 1 82 LYS C 1 83 CYS N 102.11 -171.61 141.43 108.30 -169.83 1.78 4 0 "[ . 1]"
154 . 1 82 LYS C 1 83 CYS N 1 83 CYS CA 1 83 CYS C -169.79 -109.81 -160.78 -170.08 -170.35 0.56 1 0 "[ . 1]"
155 . 1 83 CYS N 1 83 CYS CA 1 83 CYS C 1 84 PHE N 127.41 -168.71 179.92 -169.36 -179.72 0.73 2 0 "[ . 1]"
156 . 1 83 CYS C 1 84 PHE N 1 84 PHE CA 1 84 PHE C -132.34 -92.36 -135.81 -137.28 -134.51 4.94 5 0 "[ . 1]"
157 . 1 84 PHE N 1 84 PHE CA 1 84 PHE C 1 85 GLY N 117.49 161.41 159.56 155.89 162.80 1.39 8 0 "[ . 1]"
158 . 1 84 PHE C 1 85 GLY N 1 85 GLY CA 1 85 GLY C -153.86 -111.46 -120.99 -121.82 -124.18 . . 0 "[ . 1]"
159 . 1 85 GLY N 1 85 GLY CA 1 85 GLY C 1 86 PHE N 127.84 172.64 157.73 156.35 155.58 . . 0 "[ . 1]"
160 . 1 85 GLY C 1 86 PHE N 1 86 PHE CA 1 86 PHE C -158.09 -118.11 -115.44 -115.41 -115.79 3.15 9 0 "[ . 1]"
161 . 1 86 PHE N 1 86 PHE CA 1 86 PHE C 1 87 VAL N 115.72 159.64 130.82 115.10 143.04 0.62 8 0 "[ . 1]"
162 . 1 86 PHE C 1 87 VAL N 1 87 VAL CA 1 87 VAL C -149.55 -109.57 -131.92 -133.25 -135.99 . . 0 "[ . 1]"
163 . 1 87 VAL N 1 87 VAL CA 1 87 VAL C 1 88 SER N 113.21 157.13 122.82 111.42 148.36 1.79 7 0 "[ . 1]"
164 . 1 87 VAL C 1 88 SER N 1 88 SER CA 1 88 SER C -142.14 -102.16 -110.90 -107.61 -129.04 2.38 9 0 "[ . 1]"
165 . 1 88 SER N 1 88 SER CA 1 88 SER C 1 89 PHE N 108.46 152.38 110.53 110.04 108.97 1.13 3 0 "[ . 1]"
166 . 1 88 SER C 1 89 PHE N 1 89 PHE CA 1 89 PHE C -161.78 -101.80 -104.03 -116.83 -100.52 1.28 10 0 "[ . 1]"
167 . 1 89 PHE N 1 89 PHE CA 1 89 PHE C 1 90 ASP N 122.22 -173.90 129.58 124.23 137.99 . . 0 "[ . 1]"
168 . 1 89 PHE C 1 90 ASP N 1 90 ASP CA 1 90 ASP C -120.78 -60.80 -122.18 -123.88 -117.17 3.10 10 0 "[ . 1]"
169 . 1 90 ASP N 1 90 ASP CA 1 90 ASP C 1 91 ASN N 93.72 157.60 88.90 88.27 87.24 6.95 5 5 "[** + -*]"
170 . 1 90 ASP C 1 91 ASN N 1 91 ASN CA 1 91 ASN C -152.05 -92.07 -158.99 -159.31 -160.10 8.41 5 10 [****+***-*]
171 . 1 91 ASN N 1 91 ASN CA 1 91 ASN C 1 92 PRO N 125.99 -170.13 -178.59 158.69 -168.42 1.71 7 0 "[ . 1]"
172 . 1 91 ASN C 1 92 PRO N 1 92 PRO CA 1 92 PRO C -99.97 -39.33 -61.50 -43.83 -61.04 . . 0 "[ . 1]"
173 . 1 92 PRO N 1 92 PRO CA 1 92 PRO C 1 93 ASP N 102.90 174.58 178.04 176.75 178.95 4.37 1 0 "[ . 1]"
174 . 1 92 PRO C 1 93 ASP N 1 93 ASP CA 1 93 ASP C -73.59 -53.59 -50.22 -51.59 -49.51 4.08 6 0 "[ . 1]"
175 . 1 93 ASP N 1 93 ASP CA 1 93 ASP C 1 94 SER N -47.31 -25.35 -22.37 -23.99 -20.71 4.64 4 0 "[ . 1]"
176 . 1 93 ASP C 1 94 SER N 1 94 SER CA 1 94 SER C -73.06 -53.06 -50.84 -52.46 -49.38 3.68 4 0 "[ . 1]"
177 . 1 94 SER N 1 94 SER CA 1 94 SER C 1 95 ALA N -52.63 -30.67 -36.64 -39.82 -43.02 0.49 7 0 "[ . 1]"
178 . 1 94 SER C 1 95 ALA N 1 95 ALA CA 1 95 ALA C -69.30 -49.30 -64.63 -66.78 -60.63 . . 0 "[ . 1]"
179 . 1 95 ALA N 1 95 ALA CA 1 95 ALA C 1 96 GLN N -57.02 -35.06 -41.51 -46.80 -35.75 . . 0 "[ . 1]"
180 . 1 95 ALA C 1 96 GLN N 1 96 GLN CA 1 96 GLN C -72.16 -52.16 -53.75 -56.84 -58.03 0.93 4 0 "[ . 1]"
181 . 1 96 GLN N 1 96 GLN CA 1 96 GLN C 1 97 VAL N -54.29 -32.33 -44.89 -44.16 -45.43 0.03 8 0 "[ . 1]"
182 . 1 96 GLN C 1 97 VAL N 1 97 VAL CA 1 97 VAL C -75.85 -55.85 -59.29 -55.63 -57.08 0.62 8 0 "[ . 1]"
183 . 1 97 VAL N 1 97 VAL CA 1 97 VAL C 1 98 ALA N -54.51 -32.55 -40.24 -47.13 -33.25 . . 0 "[ . 1]"
184 . 1 97 VAL C 1 98 ALA N 1 98 ALA CA 1 98 ALA C -73.26 -53.26 -59.72 -64.37 -53.15 0.11 4 0 "[ . 1]"
185 . 1 98 ALA N 1 98 ALA CA 1 98 ALA C 1 99 ILE N -53.07 -31.11 -37.54 -32.31 -35.17 0.39 6 0 "[ . 1]"
186 . 1 98 ALA C 1 99 ILE N 1 99 ILE CA 1 99 ILE C -73.77 -53.77 -74.69 -75.61 -73.91 1.84 7 0 "[ . 1]"
187 . 1 99 ILE N 1 99 ILE CA 1 99 ILE C 1 100 LYS N -54.76 -32.80 -52.68 -55.79 -47.83 1.03 7 0 "[ . 1]"
188 . 1 99 ILE C 1 100 LYS N 1 100 LYS CA 1 100 LYS C -72.12 -52.12 -69.77 -72.63 -64.37 0.51 2 0 "[ . 1]"
189 . 1 100 LYS N 1 100 LYS CA 1 100 LYS C 1 101 ALA N -49.43 -27.47 -35.55 -46.82 -26.77 0.70 3 0 "[ . 1]"
190 . 1 100 LYS C 1 101 ALA N 1 101 ALA CA 1 101 ALA C -73.88 -53.88 -75.24 -75.65 -74.89 1.77 2 0 "[ . 1]"
191 . 1 101 ALA N 1 101 ALA CA 1 101 ALA C 1 102 MET N -41.67 -19.71 -21.14 -37.43 -18.54 1.17 1 0 "[ . 1]"
192 . 1 101 ALA C 1 102 MET N 1 102 MET CA 1 102 MET C -132.49 -92.51 -130.57 -123.91 -131.56 1.12 4 0 "[ . 1]"
193 . 1 102 MET N 1 102 MET CA 1 102 MET C 1 103 ASN N 124.84 168.76 126.85 123.88 141.09 0.96 6 0 "[ . 1]"
194 . 1 102 MET C 1 103 ASN N 1 103 ASN CA 1 103 ASN C -104.83 -64.85 -69.93 -88.36 -64.22 0.63 1 0 "[ . 1]"
195 . 1 103 ASN N 1 103 ASN CA 1 103 ASN C 1 104 GLY N 110.18 154.10 161.78 159.94 163.68 9.58 1 10 [+*******-*]
196 . 1 103 ASN C 1 104 GLY N 1 104 GLY CA 1 104 GLY C -149.80 -128.60 -120.08 -121.61 -118.97 9.63 10 10 [*****-***+]
197 . 1 104 GLY N 1 104 GLY CA 1 104 GLY C 1 105 PHE N -18.51 3.89 -6.35 -5.04 -13.64 1.46 1 0 "[ . 1]"
198 . 1 104 GLY C 1 105 PHE N 1 105 PHE CA 1 105 PHE C -129.32 -89.34 -130.09 -131.54 -133.91 4.59 1 0 "[ . 1]"
199 . 1 105 PHE N 1 105 PHE CA 1 105 PHE C 1 106 GLN N 116.51 160.43 111.31 109.77 113.46 6.74 4 7 "[ **+.-***1]"
200 . 1 105 PHE C 1 106 GLN N 1 106 GLN CA 1 106 GLN C -94.63 -54.65 -100.82 -102.39 -99.30 7.76 4 8 [-**+.****1]
201 . 1 106 GLN N 1 106 GLN CA 1 106 GLN C 1 107 VAL N 112.30 156.22 111.95 108.76 127.31 3.54 8 0 "[ . 1]"
202 . 1 106 GLN C 1 107 VAL N 1 107 VAL CA 1 107 VAL C -123.72 -83.74 -125.67 -127.36 -123.99 3.64 8 0 "[ . 1]"
203 . 1 107 VAL N 1 107 VAL CA 1 107 VAL C 1 108 GLY N 108.87 152.79 155.75 155.09 156.28 3.49 9 0 "[ . 1]"
204 . 1 107 VAL C 1 108 GLY N 1 108 GLY CA 1 108 GLY C -87.50 -45.10 -42.17 -43.21 -40.64 4.46 1 0 "[ . 1]"
205 . 1 108 GLY N 1 108 GLY CA 1 108 GLY C 1 109 THR N -23.86 18.90 -33.37 -33.66 -32.61 9.80 9 10 [-*******+*]
206 . 1 108 GLY C 1 109 THR N 1 109 THR CA 1 109 THR C -139.83 -79.85 -148.09 -148.57 -147.51 8.74 5 10 [-***+*****]
207 . 1 109 THR N 1 109 THR CA 1 109 THR C 1 110 LYS N 98.89 162.77 81.78 81.71 81.40 17.60 1 10 [+*-*******]
208 . 1 109 THR C 1 110 LYS N 1 110 LYS CA 1 110 LYS C -153.46 -93.48 -166.99 -167.29 -167.90 14.90 1 10 [+*******-*]
209 . 1 110 LYS N 1 110 LYS CA 1 110 LYS C 1 111 ARG N 112.16 176.04 116.62 111.26 147.83 0.90 4 0 "[ . 1]"
210 . 1 110 LYS C 1 111 ARG N 1 111 ARG CA 1 111 ARG C -140.11 -80.13 -119.50 -120.20 -140.75 0.64 1 0 "[ . 1]"
211 . 1 111 ARG N 1 111 ARG CA 1 111 ARG C 1 112 LEU N 99.69 163.57 131.68 134.38 130.91 . . 0 "[ . 1]"
212 . 1 111 ARG C 1 112 LEU N 1 112 LEU CA 1 112 LEU C -141.72 -81.74 -79.02 -80.02 -78.15 3.59 1 0 "[ . 1]"
213 . 1 112 LEU N 1 112 LEU CA 1 112 LEU C 1 113 LYS N 94.62 158.50 140.21 136.03 143.57 . . 0 "[ . 1]"
214 . 1 112 LEU C 1 113 LYS N 1 113 LYS CA 1 113 LYS C -126.83 -86.85 -85.72 -86.82 -84.54 2.31 10 0 "[ . 1]"
215 . 1 113 LYS N 1 113 LYS CA 1 113 LYS C 1 114 VAL N 107.62 151.54 107.92 106.69 111.53 0.93 3 0 "[ . 1]"
216 . 1 113 LYS C 1 114 VAL N 1 114 VAL CA 1 114 VAL C -129.93 -89.95 -91.08 -90.01 -91.26 1.37 7 0 "[ . 1]"
217 . 1 114 VAL N 1 114 VAL CA 1 114 VAL C 1 115 GLN N 106.59 150.51 106.91 107.91 106.35 1.74 8 0 "[ . 1]"
218 . 1 114 VAL C 1 115 GLN N 1 115 GLN CA 1 115 GLN C -158.04 -98.06 -102.88 -108.83 -97.16 0.90 4 0 "[ . 1]"
219 . 1 115 GLN N 1 115 GLN CA 1 115 GLN C 1 116 LEU N 104.53 168.41 108.39 102.48 128.51 2.05 9 0 "[ . 1]"
220 . 1 115 GLN C 1 116 LEU N 1 116 LEU CA 1 116 LEU C -161.72 -81.74 -86.40 -84.33 -86.88 1.06 8 0 "[ . 1]"
221 . 1 116 LEU N 1 116 LEU CA 1 116 LEU C 1 117 LYS N 89.39 173.23 147.00 144.85 143.50 . . 0 "[ . 1]"
222 . 1 116 LEU C 1 117 LYS N 1 117 LYS CA 1 117 LYS C -149.46 -69.48 -147.80 -149.75 -150.04 1.03 9 0 "[ . 1]"
223 . 1 117 LYS N 1 117 LYS CA 1 117 LYS C 1 118 LYS N 90.07 173.91 110.38 118.87 113.18 0.13 4 0 "[ . 1]"
stop_
save_