NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
423335 |
2f63   |
4299 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2f63
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 175
_TA_constraint_stats_list.Viol_count 801
_TA_constraint_stats_list.Viol_total 31352.02
_TA_constraint_stats_list.Viol_max 48.22
_TA_constraint_stats_list.Viol_rms 1.71
_TA_constraint_stats_list.Viol_average_all_restraints 0.41
_TA_constraint_stats_list.Viol_average_violations_only 1.86
_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 THR C 1 2 VAL N 1 2 VAL CA 1 2 VAL C -127.00 -67.00 -102.79 -127.71 -66.86 0.71 16 0 "[ . 1 . 2 ]"
2 . 1 2 VAL C 1 3 ALA N 1 3 ALA CA 1 3 ALA C -147.40 -67.40 -104.67 -97.90 -102.57 . . 0 "[ . 1 . 2 ]"
3 . 1 3 ALA C 1 4 TYR N 1 4 TYR CA 1 4 TYR C -148.00 -78.00 -89.68 -77.67 -78.77 1.41 4 0 "[ . 1 . 2 ]"
4 . 1 4 TYR C 1 5 ILE N 1 5 ILE CA 1 5 ILE C -156.00 -86.00 -97.44 -105.04 -112.37 0.66 2 0 "[ . 1 . 2 ]"
5 . 1 5 ILE C 1 6 ALA N 1 6 ALA CA 1 6 ALA C -144.00 -74.00 -124.66 -140.22 -89.29 . . 0 "[ . 1 . 2 ]"
6 . 1 6 ALA C 1 7 ILE N 1 7 ILE CA 1 7 ILE C -162.00 -82.00 -103.67 -99.49 -100.65 0.11 11 0 "[ . 1 . 2 ]"
7 . 1 14 PRO C 1 15 LEU N 1 15 LEU CA 1 15 LEU C -85.00 -45.00 -85.18 -86.11 -86.98 1.98 1 0 "[ . 1 . 2 ]"
8 . 1 15 LEU C 1 16 GLU N 1 16 GLU CA 1 16 GLU C -83.00 -43.00 -72.10 -83.18 -60.41 0.18 6 0 "[ . 1 . 2 ]"
9 . 1 16 GLU C 1 17 GLN N 1 17 GLN CA 1 17 GLN C -89.00 -49.00 -70.78 -88.19 -56.35 . . 0 "[ . 1 . 2 ]"
10 . 1 17 GLN C 1 18 VAL N 1 18 VAL CA 1 18 VAL C -90.00 -50.00 -82.03 -91.27 -53.76 1.27 14 0 "[ . 1 . 2 ]"
11 . 1 18 VAL C 1 19 ASN N 1 19 ASN CA 1 19 ASN C -85.00 -45.00 -57.41 -66.85 -46.49 . . 0 "[ . 1 . 2 ]"
12 . 1 19 ASN C 1 20 ALA N 1 20 ALA CA 1 20 ALA C -87.00 -47.00 -77.98 -77.62 -78.50 0.94 5 0 "[ . 1 . 2 ]"
13 . 1 20 ALA C 1 21 ALA N 1 21 ALA CA 1 21 ALA C -86.00 -46.00 -64.18 -70.66 -93.12 7.12 1 1 "[+ . 1 . 2 ]"
14 . 1 21 ALA C 1 22 LEU N 1 22 LEU CA 1 22 LEU C -84.00 -44.00 -85.34 -84.96 -101.83 17.83 1 1 "[+ . 1 . 2 ]"
15 . 1 22 LEU C 1 23 LYS N 1 23 LYS CA 1 23 LYS C -86.00 -46.00 -71.79 -86.05 -86.25 0.25 1 0 "[ . 1 . 2 ]"
16 . 1 23 LYS C 1 24 ALA N 1 24 ALA CA 1 24 ALA C -84.00 -44.00 -62.47 -61.26 -62.22 . . 0 "[ . 1 . 2 ]"
17 . 1 24 ALA C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -85.00 -45.00 -69.03 -78.07 -59.58 . . 0 "[ . 1 . 2 ]"
18 . 1 31 SER C 1 32 HIS N 1 32 HIS CA 1 32 HIS C -168.00 -88.00 -152.35 -137.07 -142.95 0.81 4 0 "[ . 1 . 2 ]"
19 . 1 32 HIS C 1 33 ILE N 1 33 ILE CA 1 33 ILE C -112.00 -32.00 -59.63 -55.63 -56.63 . . 0 "[ . 1 . 2 ]"
20 . 1 35 THR C 1 36 VAL N 1 36 VAL CA 1 36 VAL C -163.00 -83.00 -134.36 -147.35 -124.89 . . 0 "[ . 1 . 2 ]"
21 . 1 39 PHE C 1 40 TYR N 1 40 TYR CA 1 40 TYR C -164.00 -64.00 -122.54 -117.94 -124.94 . . 0 "[ . 1 . 2 ]"
22 . 1 40 TYR C 1 41 ARG N 1 41 ARG CA 1 41 ARG C -155.00 -85.00 -92.18 -84.45 -84.69 1.65 11 0 "[ . 1 . 2 ]"
23 . 1 41 ARG C 1 42 THR N 1 42 THR CA 1 42 THR C -166.00 -66.00 -157.15 -167.78 -130.40 1.78 19 0 "[ . 1 . 2 ]"
24 . 1 54 LEU C 1 55 ASN N 1 55 ASN CA 1 55 ASN C -175.00 -105.00 -122.13 -114.60 -121.93 1.76 5 0 "[ . 1 . 2 ]"
25 . 1 55 ASN C 1 56 ALA N 1 56 ALA CA 1 56 ALA C 175.00 -105.00 -168.78 -160.05 -163.24 . . 0 "[ . 1 . 2 ]"
26 . 1 56 ALA C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -148.00 -68.00 -79.38 -80.93 -86.46 0.51 10 0 "[ . 1 . 2 ]"
27 . 1 58 VAL C 1 59 ALA N 1 59 ALA CA 1 59 ALA C -140.00 -80.00 -78.12 -78.59 -85.99 3.74 15 0 "[ . 1 . 2 ]"
28 . 1 59 ALA C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -152.00 -72.00 -85.69 -114.00 -71.44 0.56 5 0 "[ . 1 . 2 ]"
29 . 1 60 LEU C 1 61 GLU N 1 61 GLU CA 1 61 GLU C -136.00 -76.00 -76.34 -83.75 -66.96 9.04 1 1 "[+ . 1 . 2 ]"
30 . 1 61 GLU C 1 62 THR N 1 62 THR CA 1 62 THR C -140.00 -80.00 -127.02 -125.79 -126.20 . . 0 "[ . 1 . 2 ]"
31 . 1 63 SER C 1 64 LEU N 1 64 LEU CA 1 64 LEU C -115.00 -55.00 -64.77 -114.37 -54.22 0.78 20 0 "[ . 1 . 2 ]"
32 . 1 65 ALA C 1 66 PRO N 1 66 PRO CA 1 66 PRO C -85.00 -45.00 -56.33 -58.39 -58.83 . . 0 "[ . 1 . 2 ]"
33 . 1 67 GLU C 1 68 GLU N 1 68 GLU CA 1 68 GLU C -85.00 -45.00 -88.29 -89.61 -90.41 9.84 17 3 "[* . 1 . + -2 ]"
34 . 1 68 GLU C 1 69 LEU N 1 69 LEU CA 1 69 LEU C -87.00 -47.00 -56.77 -65.21 -46.70 0.30 17 0 "[ . 1 . 2 ]"
35 . 1 69 LEU C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -85.00 -45.00 -55.26 -55.52 -56.27 . . 0 "[ . 1 . 2 ]"
36 . 1 70 LEU C 1 71 ASN N 1 71 ASN CA 1 71 ASN C -85.00 -45.00 -55.82 -56.76 -58.87 0.78 17 0 "[ . 1 . 2 ]"
37 . 1 71 ASN C 1 72 HIS N 1 72 HIS CA 1 72 HIS C -85.00 -45.00 -76.18 -86.28 -63.48 1.28 8 0 "[ . 1 . 2 ]"
38 . 1 72 HIS C 1 73 THR N 1 73 THR CA 1 73 THR C -87.00 -47.00 -57.51 -55.48 -55.85 . . 0 "[ . 1 . 2 ]"
39 . 1 73 THR C 1 74 GLN N 1 74 GLN CA 1 74 GLN C -87.00 -47.00 -65.45 -63.87 -66.07 . . 0 "[ . 1 . 2 ]"
40 . 1 75 ARG C 1 76 ILE N 1 76 ILE CA 1 76 ILE C -86.00 -46.00 -62.21 -60.49 -62.24 0.43 18 0 "[ . 1 . 2 ]"
41 . 1 76 ILE C 1 77 GLU N 1 77 GLU CA 1 77 GLU C -83.00 -43.00 -64.21 -74.58 -59.12 . . 0 "[ . 1 . 2 ]"
42 . 1 77 GLU C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -86.00 -46.00 -74.54 -87.44 -53.37 1.44 19 0 "[ . 1 . 2 ]"
43 . 1 78 LEU C 1 79 GLN N 1 79 GLN CA 1 79 GLN C -87.00 -47.00 -66.32 -61.10 -63.36 . . 0 "[ . 1 . 2 ]"
44 . 1 79 GLN C 1 80 GLN N 1 80 GLN CA 1 80 GLN C -121.00 -61.00 -89.07 -112.07 -66.80 . . 0 "[ . 1 . 2 ]"
45 . 1 81 GLY C 1 82 ARG N 1 82 ARG CA 1 82 ARG C -146.00 -56.00 -62.49 -56.43 -58.09 1.24 8 0 "[ . 1 . 2 ]"
46 . 1 82 ARG C 1 83 VAL N 1 83 VAL CA 1 83 VAL C -146.00 -76.00 -108.98 -81.72 -96.84 6.25 7 2 "[ . + 1 . 2-]"
47 . 1 85 LYS C 1 86 ALA N 1 86 ALA CA 1 86 ALA C -142.00 -22.00 -109.12 -134.16 -142.09 9.44 1 1 "[+ . 1 . 2 ]"
48 . 1 86 ALA C 1 87 GLU N 1 87 GLU CA 1 87 GLU C -122.00 -42.00 -118.13 -128.39 -66.56 6.39 6 5 "[ .+ 1* **- 2 ]"
49 . 1 87 GLU C 1 88 ARG N 1 88 ARG CA 1 88 ARG C -103.00 -43.00 -95.04 -104.58 -125.43 22.43 1 1 "[+ . 1 . 2 ]"
50 . 1 88 ARG C 1 89 TRP N 1 89 TRP CA 1 89 TRP C -120.00 -50.00 -115.88 -125.38 -137.00 17.00 1 2 "[+ . 1 - 2 ]"
51 . 1 94 LEU C 1 95 ASP N 1 95 ASP CA 1 95 ASP C -168.00 -68.00 -160.09 -170.51 -133.30 2.51 4 0 "[ . 1 . 2 ]"
52 . 1 95 ASP C 1 96 LEU N 1 96 LEU CA 1 96 LEU C -133.00 -93.00 -108.51 -103.91 -106.34 1.30 17 0 "[ . 1 . 2 ]"
53 . 1 96 LEU C 1 97 ASP N 1 97 ASP CA 1 97 ASP C -145.00 -65.00 -124.75 -146.50 -111.56 1.50 8 0 "[ . 1 . 2 ]"
54 . 1 98 ILE C 1 99 MET N 1 99 MET CA 1 99 MET C -128.00 -38.00 -105.34 -127.93 -73.18 . . 0 "[ . 1 . 2 ]"
55 . 1 100 LEU C 1 101 PHE N 1 101 PHE CA 1 101 PHE C -153.00 -63.00 -125.70 -124.77 -141.04 1.36 19 0 "[ . 1 . 2 ]"
56 . 1 103 ASN C 1 104 GLU N 1 104 GLU CA 1 104 GLU C -168.00 -48.00 -75.90 -115.03 -50.49 . . 0 "[ . 1 . 2 ]"
57 . 1 104 GLU C 1 105 VAL N 1 105 VAL CA 1 105 VAL C -157.00 -77.00 -139.95 -151.17 -101.66 . . 0 "[ . 1 . 2 ]"
58 . 1 105 VAL C 1 106 ILE N 1 106 ILE CA 1 106 ILE C -164.00 -84.00 -137.05 -155.05 -122.40 . . 0 "[ . 1 . 2 ]"
59 . 1 106 ILE C 1 107 ASN N 1 107 ASN CA 1 107 ASN C -126.00 -66.00 -109.42 -124.43 -135.63 9.63 1 1 "[+ . 1 . 2 ]"
60 . 1 109 GLU C 1 110 ARG N 1 110 ARG CA 1 110 ARG C -125.00 -45.00 -94.80 -124.49 -73.65 . . 0 "[ . 1 . 2 ]"
61 . 1 111 LEU C 1 112 THR N 1 112 THR CA 1 112 THR C -141.00 -51.00 -138.90 -139.22 -140.09 1.76 13 0 "[ . 1 . 2 ]"
62 . 1 112 THR C 1 113 VAL N 1 113 VAL CA 1 113 VAL C -168.00 -88.00 -83.45 -85.94 -58.21 29.79 1 2 "[+ . 1 - . 2 ]"
63 . 1 114 PRO C 1 115 HIS N 1 115 HIS CA 1 115 HIS C -102.00 -42.00 -75.43 -82.52 -61.65 . . 0 "[ . 1 . 2 ]"
64 . 1 115 HIS C 1 116 TYR N 1 116 TYR CA 1 116 TYR C -123.00 -33.00 -54.66 -60.36 -67.16 . . 0 "[ . 1 . 2 ]"
65 . 1 117 ASP C 1 118 MET N 1 118 MET CA 1 118 MET C -86.00 -46.00 -58.72 -88.29 -45.30 2.29 15 0 "[ . 1 . 2 ]"
66 . 1 118 MET C 1 119 LYS N 1 119 LYS CA 1 119 LYS C -112.00 -42.00 -73.28 -88.70 -60.88 . . 0 "[ . 1 . 2 ]"
67 . 1 123 PHE C 1 124 MET N 1 124 MET CA 1 124 MET C -87.00 -47.00 -92.44 -92.51 -126.76 39.76 1 3 "[+ . 1 * - ]"
68 . 1 124 MET C 1 125 LEU N 1 125 LEU CA 1 125 LEU C -82.00 -42.00 -73.16 -83.78 -98.02 16.02 1 1 "[+ . 1 . 2 ]"
69 . 1 125 LEU C 1 126 TRP N 1 126 TRP CA 1 126 TRP C -88.00 -48.00 -49.67 -53.55 -57.66 3.05 20 0 "[ . 1 . 2 ]"
70 . 1 126 TRP C 1 127 PRO N 1 127 PRO CA 1 127 PRO C -95.00 -35.00 -63.75 -62.01 -62.20 . . 0 "[ . 1 . 2 ]"
71 . 1 127 PRO C 1 128 LEU N 1 128 LEU CA 1 128 LEU C -87.00 -47.00 -59.21 -59.62 -59.76 . . 0 "[ . 1 . 2 ]"
72 . 1 128 LEU C 1 129 PHE N 1 129 PHE CA 1 129 PHE C -85.00 -45.00 -58.48 -65.31 -53.02 . . 0 "[ . 1 . 2 ]"
73 . 1 129 PHE C 1 130 GLU N 1 130 GLU CA 1 130 GLU C -103.00 -43.00 -104.11 -105.66 -93.15 2.66 14 0 "[ . 1 . 2 ]"
74 . 1 130 GLU C 1 131 ILE N 1 131 ILE CA 1 131 ILE C -142.00 -72.00 -72.15 -78.05 -61.06 10.94 1 1 "[+ . 1 . 2 ]"
75 . 1 132 ALA C 1 133 PRO N 1 133 PRO CA 1 133 PRO C -101.00 -41.00 -92.04 -97.49 -81.13 . . 0 "[ . 1 . 2 ]"
76 . 1 135 LEU C 1 136 VAL N 1 136 VAL CA 1 136 VAL C -140.00 -80.00 -136.58 -147.64 -125.22 7.64 3 1 "[ + . 1 . 2 ]"
77 . 1 136 VAL C 1 137 PHE N 1 137 PHE CA 1 137 PHE C -136.00 -36.00 -72.04 -81.09 -81.37 . . 0 "[ . 1 . 2 ]"
78 . 1 137 PHE C 1 138 PRO N 1 138 PRO CA 1 138 PRO C -98.00 -38.00 -49.53 -49.76 -50.55 . . 0 "[ . 1 . 2 ]"
79 . 1 142 MET C 1 143 LEU N 1 143 LEU CA 1 143 LEU C -81.00 -41.00 -60.30 -59.63 -60.09 . . 0 "[ . 1 . 2 ]"
80 . 1 143 LEU C 1 144 ARG N 1 144 ARG CA 1 144 ARG C -83.00 -43.00 -79.97 -72.72 -74.57 1.58 8 0 "[ . 1 . 2 ]"
81 . 1 144 ARG C 1 145 GLN N 1 145 GLN CA 1 145 GLN C -86.00 -46.00 -60.49 -62.65 -66.20 . . 0 "[ . 1 . 2 ]"
82 . 1 145 GLN C 1 146 ILE N 1 146 ILE CA 1 146 ILE C -88.00 -48.00 -66.66 -83.03 -50.78 . . 0 "[ . 1 . 2 ]"
83 . 1 146 ILE C 1 147 LEU N 1 147 LEU CA 1 147 LEU C -87.00 -47.00 -68.02 -67.19 -69.48 . . 0 "[ . 1 . 2 ]"
84 . 1 147 LEU C 1 148 HIS N 1 148 HIS CA 1 148 HIS C -85.00 -45.00 -69.09 -86.70 -54.14 1.70 2 0 "[ . 1 . 2 ]"
85 . 1 149 THR C 1 150 ARG N 1 150 ARG CA 1 150 ARG C -118.00 -38.00 -89.45 -112.39 -56.68 . . 0 "[ . 1 . 2 ]"
86 . 1 155 LEU C 1 156 ASN N 1 156 ASN CA 1 156 ASN C -158.00 -58.00 -67.78 -93.38 -50.25 7.75 1 1 "[+ . 1 . 2 ]"
87 . 1 156 ASN C 1 157 LYS N 1 157 LYS CA 1 157 LYS C -133.00 -33.00 -51.87 -42.38 -43.66 0.36 14 0 "[ . 1 . 2 ]"
88 . 1 2 VAL N 1 2 VAL CA 1 2 VAL C 1 3 ALA N 104.00 144.00 143.70 136.21 145.35 1.35 16 0 "[ . 1 . 2 ]"
89 . 1 3 ALA N 1 3 ALA CA 1 3 ALA C 1 4 TYR N 100.00 180.00 109.54 98.66 160.91 1.34 5 0 "[ . 1 . 2 ]"
90 . 1 3 ALA N 1 3 ALA CA 1 3 ALA C 1 4 TYR N 99.00 169.00 109.54 98.66 160.91 0.34 5 0 "[ . 1 . 2 ]"
91 . 1 5 ILE N 1 5 ILE CA 1 5 ILE C 1 6 ALA N 98.00 168.00 157.30 152.67 152.62 . . 0 "[ . 1 . 2 ]"
92 . 1 6 ALA N 1 6 ALA CA 1 6 ALA C 1 7 ILE N 105.00 155.00 120.19 104.60 155.44 0.44 21 0 "[ . 1 . 2 ]"
93 . 1 7 ILE N 1 7 ILE CA 1 7 ILE C 1 8 GLY N 104.00 164.00 148.95 131.74 156.57 . . 0 "[ . 1 . 2 ]"
94 . 1 15 LEU N 1 15 LEU CA 1 15 LEU C 1 16 GLU N -61.00 -21.00 -42.34 -38.98 -41.25 0.15 17 0 "[ . 1 . 2 ]"
95 . 1 16 GLU N 1 16 GLU CA 1 16 GLU C 1 17 GLN N -60.00 -20.00 -31.15 -34.73 -39.34 . . 0 "[ . 1 . 2 ]"
96 . 1 17 GLN N 1 17 GLN CA 1 17 GLN C 1 18 VAL N -61.00 -21.00 -26.01 -39.96 -52.59 1.06 15 0 "[ . 1 . 2 ]"
97 . 1 18 VAL N 1 18 VAL CA 1 18 VAL C 1 19 ASN N -61.00 -21.00 -35.22 -33.91 -36.09 . . 0 "[ . 1 . 2 ]"
98 . 1 19 ASN N 1 19 ASN CA 1 19 ASN C 1 20 ALA N -57.00 -17.00 -51.55 -57.63 -61.41 4.41 1 0 "[ . 1 . 2 ]"
99 . 1 20 ALA N 1 20 ALA CA 1 20 ALA C 1 21 ALA N -60.00 -20.00 -23.53 -35.98 5.01 25.01 1 1 "[+ . 1 . 2 ]"
100 . 1 21 ALA N 1 21 ALA CA 1 21 ALA C 1 22 LEU N -61.00 -21.00 -46.55 -56.24 -30.03 . . 0 "[ . 1 . 2 ]"
101 . 1 22 LEU N 1 22 LEU CA 1 22 LEU C 1 23 LYS N -57.00 -17.00 -28.41 -19.00 -21.16 1.00 2 0 "[ . 1 . 2 ]"
102 . 1 23 LYS N 1 23 LYS CA 1 23 LYS C 1 24 ALA N -66.00 -16.00 -38.15 -50.88 -25.67 . . 0 "[ . 1 . 2 ]"
103 . 1 24 ALA N 1 24 ALA CA 1 24 ALA C 1 25 LEU N -56.00 -16.00 -23.83 -36.63 -15.47 0.53 8 0 "[ . 1 . 2 ]"
104 . 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 GLY N -56.00 -16.00 -27.47 -39.68 -15.46 0.54 21 0 "[ . 1 . 2 ]"
105 . 1 28 ILE N 1 28 ILE CA 1 28 ILE C 1 29 PRO N 100.00 160.00 139.66 135.22 129.98 . . 0 "[ . 1 . 2 ]"
106 . 1 32 HIS N 1 32 HIS CA 1 32 HIS C 1 33 ILE N 95.00 175.00 106.12 105.73 104.55 2.36 21 0 "[ . 1 . 2 ]"
107 . 1 33 ILE N 1 33 ILE CA 1 33 ILE C 1 34 LEU N 109.00 149.00 134.96 147.05 138.86 . . 0 "[ . 1 . 2 ]"
108 . 1 36 VAL N 1 36 VAL CA 1 36 VAL C 1 37 SER N 104.00 164.00 139.62 137.40 134.05 . . 0 "[ . 1 . 2 ]"
109 . 1 40 TYR N 1 40 TYR CA 1 40 TYR C 1 41 ARG N 102.50 152.50 136.23 128.29 127.19 0.56 10 0 "[ . 1 . 2 ]"
110 . 1 41 ARG N 1 41 ARG CA 1 41 ARG C 1 42 THR N 106.00 166.00 126.67 139.46 138.47 0.33 10 0 "[ . 1 . 2 ]"
111 . 1 42 THR N 1 42 THR CA 1 42 THR C 1 43 PRO N 82.00 -168.00 144.15 155.65 155.27 . . 0 "[ . 1 . 2 ]"
112 . 1 55 ASN N 1 55 ASN CA 1 55 ASN C 1 56 ALA N 135.00 175.00 150.27 145.07 143.56 0.66 7 0 "[ . 1 . 2 ]"
113 . 1 56 ALA N 1 56 ALA CA 1 56 ALA C 1 57 ALA N 102.00 -178.00 116.16 101.00 165.22 1.00 13 0 "[ . 1 . 2 ]"
114 . 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 VAL N 103.00 173.00 169.12 154.43 174.71 1.71 1 0 "[ . 1 . 2 ]"
115 . 1 59 ALA N 1 59 ALA CA 1 59 ALA C 1 60 LEU N 89.00 149.00 99.71 100.49 94.70 0.92 12 0 "[ . 1 . 2 ]"
116 . 1 60 LEU N 1 60 LEU CA 1 60 LEU C 1 61 GLU N 101.00 161.00 112.40 116.07 113.63 0.86 1 0 "[ . 1 . 2 ]"
117 . 1 61 GLU N 1 61 GLU CA 1 61 GLU C 1 62 THR N 93.00 143.00 91.02 88.18 92.35 4.82 21 0 "[ . 1 . 2 ]"
118 . 1 62 THR N 1 62 THR CA 1 62 THR C 1 63 SER N 100.00 180.00 155.35 149.67 147.81 1.40 21 0 "[ . 1 . 2 ]"
119 . 1 64 LEU N 1 64 LEU CA 1 64 LEU C 1 65 ALA N 101.00 -179.00 147.93 147.99 146.54 1.97 21 0 "[ . 1 . 2 ]"
120 . 1 66 PRO N 1 66 PRO CA 1 66 PRO C 1 67 GLU N -66.00 -6.00 -17.15 -23.25 -1.29 4.71 19 0 "[ . 1 . 2 ]"
121 . 1 68 GLU N 1 68 GLU CA 1 68 GLU C 1 69 LEU N -64.00 -24.00 -24.18 -38.77 -19.68 4.32 1 0 "[ . 1 . 2 ]"
122 . 1 69 LEU N 1 69 LEU CA 1 69 LEU C 1 70 LEU N -62.00 -12.00 -62.59 -61.34 -61.83 4.63 17 0 "[ . 1 . 2 ]"
123 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 ASN N -68.00 -8.00 -42.89 -56.68 -26.02 . . 0 "[ . 1 . 2 ]"
124 . 1 71 ASN N 1 71 ASN CA 1 71 ASN C 1 72 HIS N -62.00 -22.00 -34.69 -31.60 -32.90 . . 0 "[ . 1 . 2 ]"
125 . 1 72 HIS N 1 72 HIS CA 1 72 HIS C 1 73 THR N -65.00 -25.00 -43.59 -53.89 -28.55 . . 0 "[ . 1 . 2 ]"
126 . 1 73 THR N 1 73 THR CA 1 73 THR C 1 74 GLN N -57.00 -17.00 -27.14 -21.46 -22.65 . . 0 "[ . 1 . 2 ]"
127 . 1 74 GLN N 1 74 GLN CA 1 74 GLN C 1 75 ARG N -55.00 -15.00 -35.82 -45.90 -23.62 . . 0 "[ . 1 . 2 ]"
128 . 1 76 ILE N 1 76 ILE CA 1 76 ILE C 1 77 GLU N -63.00 -23.00 -33.53 -51.32 -23.74 . . 0 "[ . 1 . 2 ]"
129 . 1 77 GLU N 1 77 GLU CA 1 77 GLU C 1 78 LEU N -62.00 -12.00 -38.95 -36.99 -37.13 . . 0 "[ . 1 . 2 ]"
130 . 1 78 LEU N 1 78 LEU CA 1 78 LEU C 1 79 GLN N -62.00 -22.00 -42.96 -60.49 -26.54 . . 0 "[ . 1 . 2 ]"
131 . 1 79 GLN N 1 79 GLN CA 1 79 GLN C 1 80 GLN N -58.00 -8.00 -20.22 -28.70 -29.03 0.58 12 0 "[ . 1 . 2 ]"
132 . 1 80 GLN N 1 80 GLN CA 1 80 GLN C 1 81 GLY N -16.00 24.00 -8.20 -17.10 10.98 1.10 19 0 "[ . 1 . 2 ]"
133 . 1 83 VAL N 1 83 VAL CA 1 83 VAL C 1 84 ARG N 87.00 147.00 116.92 84.92 75.32 11.68 1 1 "[+ . 1 . 2 ]"
134 . 1 86 ALA N 1 86 ALA CA 1 86 ALA C 1 87 GLU N 116.00 176.00 117.90 108.14 67.78 48.22 1 9 "[+ .* * 1**-*** 2 ]"
135 . 1 87 GLU N 1 87 GLU CA 1 87 GLU C 1 88 ARG N 76.00 176.00 104.04 77.11 126.98 . . 0 "[ . 1 . 2 ]"
136 . 1 88 ARG N 1 88 ARG CA 1 88 ARG C 1 89 TRP N -56.00 -16.00 -52.35 -60.00 -20.80 4.00 13 0 "[ . 1 . 2 ]"
137 . 1 89 TRP N 1 89 TRP CA 1 89 TRP C 1 90 GLY N -35.00 35.00 -15.89 -35.76 35.20 0.76 5 0 "[ . 1 . 2 ]"
138 . 1 95 ASP N 1 95 ASP CA 1 95 ASP C 1 96 LEU N 89.00 159.00 93.43 87.21 117.52 1.79 13 0 "[ . 1 . 2 ]"
139 . 1 96 LEU N 1 96 LEU CA 1 96 LEU C 1 97 ASP N 103.00 143.00 106.92 109.23 105.36 1.03 6 0 "[ . 1 . 2 ]"
140 . 1 97 ASP N 1 97 ASP CA 1 97 ASP C 1 98 ILE N 86.00 156.00 150.55 135.91 164.25 8.25 1 1 "[+ . 1 . 2 ]"
141 . 1 99 MET N 1 99 MET CA 1 99 MET C 1 100 LEU N -57.00 -17.00 -20.14 -16.93 -19.16 2.17 16 0 "[ . 1 . 2 ]"
142 . 1 101 PHE N 1 101 PHE CA 1 101 PHE C 1 102 GLY N 79.00 179.00 102.77 78.84 179.03 0.16 14 0 "[ . 1 . 2 ]"
143 . 1 104 GLU N 1 104 GLU CA 1 104 GLU C 1 105 VAL N 98.00 -172.00 158.19 159.22 156.44 . . 0 "[ . 1 . 2 ]"
144 . 1 105 VAL N 1 105 VAL CA 1 105 VAL C 1 106 ILE N 86.00 166.00 89.36 83.44 98.27 2.56 19 0 "[ . 1 . 2 ]"
145 . 1 106 ILE N 1 106 ILE CA 1 106 ILE C 1 107 ASN N 103.00 153.00 121.50 101.05 149.57 1.95 6 0 "[ . 1 . 2 ]"
146 . 1 107 ASN N 1 107 ASN CA 1 107 ASN C 1 108 THR N 108.00 158.00 107.84 118.90 113.17 3.84 1 0 "[ . 1 . 2 ]"
147 . 1 110 ARG N 1 110 ARG CA 1 110 ARG C 1 111 LEU N -57.00 13.00 -20.10 -29.37 -31.10 . . 0 "[ . 1 . 2 ]"
148 . 1 112 THR N 1 112 THR CA 1 112 THR C 1 113 VAL N 102.00 142.00 128.27 113.60 106.98 0.69 17 0 "[ . 1 . 2 ]"
149 . 1 113 VAL N 1 113 VAL CA 1 113 VAL C 1 114 PRO N 90.00 -170.00 176.13 169.59 166.45 . . 0 "[ . 1 . 2 ]"
150 . 1 114 PRO N 1 114 PRO CA 1 114 PRO C 1 115 HIS N 90.00 170.00 92.13 88.76 86.71 3.29 1 0 "[ . 1 . 2 ]"
151 . 1 115 HIS N 1 115 HIS CA 1 115 HIS C 1 116 TYR N 109.00 159.00 119.99 108.44 146.34 0.56 16 0 "[ . 1 . 2 ]"
152 . 1 116 TYR N 1 116 TYR CA 1 116 TYR C 1 117 ASP N 92.00 152.00 90.28 89.88 79.66 12.34 1 1 "[+ . 1 . 2 ]"
153 . 1 118 MET N 1 118 MET CA 1 118 MET C 1 119 LYS N -57.00 -17.00 -37.71 -44.68 -21.40 . . 0 "[ . 1 . 2 ]"
154 . 1 119 LYS N 1 119 LYS CA 1 119 LYS C 1 120 ASN N -59.00 11.00 -5.64 -6.18 -12.83 1.10 6 0 "[ . 1 . 2 ]"
155 . 1 124 MET N 1 124 MET CA 1 124 MET C 1 125 LEU N -62.00 -22.00 -43.27 -63.26 -25.51 1.26 7 0 "[ . 1 . 2 ]"
156 . 1 125 LEU N 1 125 LEU CA 1 125 LEU C 1 126 TRP N -67.00 -17.00 -55.83 -66.33 -39.62 . . 0 "[ . 1 . 2 ]"
157 . 1 126 TRP N 1 126 TRP CA 1 126 TRP C 1 127 PRO N -58.00 -18.00 -57.98 -60.00 -52.52 2.00 16 0 "[ . 1 . 2 ]"
158 . 1 127 PRO N 1 127 PRO CA 1 127 PRO C 1 128 LEU N -62.00 -2.00 -43.36 -44.41 -46.17 . . 0 "[ . 1 . 2 ]"
159 . 1 128 LEU N 1 128 LEU CA 1 128 LEU C 1 129 PHE N -62.00 -22.00 -31.38 -38.43 -26.11 . . 0 "[ . 1 . 2 ]"
160 . 1 129 PHE N 1 129 PHE CA 1 129 PHE C 1 130 GLU N -56.00 -16.00 -14.36 -16.12 -20.03 3.61 13 0 "[ . 1 . 2 ]"
161 . 1 130 GLU N 1 130 GLU CA 1 130 GLU C 1 131 ILE N -59.00 11.00 -32.77 -36.30 -46.90 . . 0 "[ . 1 . 2 ]"
162 . 1 131 ILE N 1 131 ILE CA 1 131 ILE C 1 132 ALA N -25.00 25.00 -30.46 -31.25 -42.14 17.14 1 7 "[+* ** - *. 2*]"
163 . 1 133 PRO N 1 133 PRO CA 1 133 PRO C 1 134 GLU N -55.00 15.00 15.38 13.73 5.16 4.54 17 0 "[ . 1 . 2 ]"
164 . 1 136 VAL N 1 136 VAL CA 1 136 VAL C 1 137 PHE N 95.00 175.00 134.23 149.14 146.43 . . 0 "[ . 1 . 2 ]"
165 . 1 137 PHE N 1 137 PHE CA 1 137 PHE C 1 138 PRO N 89.00 179.00 157.97 147.44 167.80 . . 0 "[ . 1 . 2 ]"
166 . 1 138 PRO N 1 138 PRO CA 1 138 PRO C 1 139 ASP N -64.00 16.00 -20.04 -23.78 -37.78 . . 0 "[ . 1 . 2 ]"
167 . 1 143 LEU N 1 143 LEU CA 1 143 LEU C 1 144 ARG N -70.00 -20.00 -24.55 -35.37 -19.55 0.45 14 0 "[ . 1 . 2 ]"
168 . 1 144 ARG N 1 144 ARG CA 1 144 ARG C 1 145 GLN N -63.00 -23.00 -46.00 -56.63 -36.25 . . 0 "[ . 1 . 2 ]"
169 . 1 145 GLN N 1 145 GLN CA 1 145 GLN C 1 146 ILE N -59.00 -19.00 -37.04 -29.66 -32.61 . . 0 "[ . 1 . 2 ]"
170 . 1 146 ILE N 1 146 ILE CA 1 146 ILE C 1 147 LEU N -58.00 -18.00 -43.97 -58.43 -23.76 0.43 19 0 "[ . 1 . 2 ]"
171 . 1 147 LEU N 1 147 LEU CA 1 147 LEU C 1 148 HIS N -62.00 -12.00 -20.22 -34.49 -10.98 1.02 1 0 "[ . 1 . 2 ]"
172 . 1 148 HIS N 1 148 HIS CA 1 148 HIS C 1 149 THR N -61.00 -21.00 -27.54 -24.12 -27.51 0.81 19 0 "[ . 1 . 2 ]"
173 . 1 150 ARG N 1 150 ARG CA 1 150 ARG C 1 151 ALA N -66.00 14.00 -58.56 -41.08 -46.51 5.31 14 1 "[ . 1 +. 2 ]"
174 . 1 156 ASN N 1 156 ASN CA 1 156 ASN C 1 157 LYS N 101.00 -179.00 133.44 108.42 174.23 . . 0 "[ . 1 . 2 ]"
175 . 1 157 LYS N 1 157 LYS CA 1 157 LYS C 1 158 TRP N 81.00 171.00 140.07 107.19 166.54 . . 0 "[ . 1 . 2 ]"
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