NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406416 |
1xnt   |
4282 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1xnt
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 199
_TA_constraint_stats_list.Viol_count 4320
_TA_constraint_stats_list.Viol_total 3957206.50
_TA_constraint_stats_list.Viol_max 84.62
_TA_constraint_stats_list.Viol_rms 20.60
_TA_constraint_stats_list.Viol_average_all_restraints 37.59
_TA_constraint_stats_list.Viol_average_violations_only 39.83
_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 2 PRO C 1 3 GLU N 1 3 GLU CA 1 3 GLU C -80.00 -160.00 -138.13 -160.92 -78.47 39.64 22 10 "[* .*- 1 ** * * *2 +*]"
2 . 1 3 GLU C 1 4 ILE N 1 4 ILE CA 1 4 ILE C -80.00 -160.00 -127.71 -146.31 -79.52 39.91 11 21 "[*******-*1+**** *******]"
3 . 1 4 ILE N 1 4 ILE CA 1 4 ILE C 1 5 ARG N -160.00 40.00 131.65 119.75 154.48 79.75 7 23 [******+***************-]
4 . 1 4 ILE C 1 5 ARG N 1 5 ARG CA 1 5 ARG C -80.00 -160.00 -114.39 -110.33 -112.52 39.92 17 23 [******-*********+******]
5 . 1 5 ARG N 1 5 ARG CA 1 5 ARG C 1 6 LEU N -160.00 40.00 159.89 151.33 134.93 79.31 23 23 [***********-**********+]
6 . 1 5 ARG C 1 6 LEU N 1 6 LEU CA 1 6 LEU C -80.00 -160.00 -97.19 -119.54 -79.57 39.54 12 18 "[ ****-***1*+**. ****** ]"
7 . 1 6 LEU N 1 6 LEU CA 1 6 LEU C 1 7 ARG N -160.00 40.00 152.06 127.63 165.70 72.37 21 23 [*************-******+**]
8 . 1 6 LEU C 1 7 ARG N 1 7 ARG CA 1 7 ARG C -80.00 -160.00 -105.11 -105.28 -108.06 39.78 14 22 "[************-+****** **]"
9 . 1 7 ARG C 1 8 HIS N 1 8 HIS CA 1 8 HIS C -80.00 -160.00 -160.86 -161.33 -160.39 . . 0 "[ . 1 . 2 ]"
10 . 1 8 HIS C 1 9 VAL N 1 9 VAL CA 1 9 VAL C -80.00 -160.00 -84.40 -106.48 -78.67 26.48 5 5 "[ + *- ** 2 ]"
11 . 1 9 VAL N 1 9 VAL CA 1 9 VAL C 1 10 VAL N -160.00 40.00 91.77 86.33 97.91 57.91 15 23 [**************+*-******]
12 . 1 9 VAL C 1 10 VAL N 1 10 VAL CA 1 10 VAL C -30.00 160.00 -52.85 -53.95 -54.07 26.43 9 23 [*****-**+**************]
13 . 1 10 VAL C 1 11 SER N 1 11 SER CA 1 11 SER C -80.00 -160.00 -122.23 -118.55 -120.14 39.86 4 23 [***+**************-****]
14 . 1 11 SER C 1 12 CYS N 1 12 CYS CA 1 12 CYS C -80.00 -160.00 -148.99 -132.11 -136.74 29.19 21 16 "[** *.*** 1 - ******+**]"
15 . 1 12 CYS C 1 13 SER N 1 13 SER CA 1 13 SER C -80.00 -160.00 -129.44 -152.31 -104.67 39.55 16 23 [*************-*+*******]
16 . 1 13 SER C 1 14 SER N 1 14 SER CA 1 14 SER C -80.00 155.00 153.40 151.85 157.22 2.22 3 0 "[ . 1 . 2 ]"
17 . 1 14 SER C 1 15 GLN N 1 15 GLN CA 1 15 GLN C -80.00 -160.00 -141.23 -139.23 -143.18 37.66 5 17 "[****+ *** - *** * ****]"
18 . 1 15 GLN N 1 15 GLN CA 1 15 GLN C 1 16 ASP N -160.00 40.00 140.70 142.33 141.46 72.37 17 23 [********-*******+******]
19 . 1 16 ASP C 1 17 SER N 1 17 SER CA 1 17 SER C -20.00 -120.00 -86.80 -74.25 -84.94 45.75 3 23 [**+*****-**************]
20 . 1 17 SER N 1 17 SER CA 1 17 SER C 1 18 THR N 0.00 -100.00 -62.59 -62.77 -63.86 47.14 20 23 [******-************+***]
21 . 1 17 SER C 1 18 THR N 1 18 THR CA 1 18 THR C -30.00 160.00 -63.65 -59.20 -60.49 40.31 23 23 [*-********************+]
22 . 1 19 HIS C 1 20 CYS N 1 20 CYS CA 1 20 CYS C -80.00 -160.00 -90.18 -95.80 -97.11 18.28 4 20 "[***+***-*** **** *****]"
23 . 1 20 CYS C 1 21 ALA N 1 21 ALA CA 1 21 ALA C -20.00 -120.00 -62.99 -62.75 -63.07 45.06 13 23 [*********-**+**********]
24 . 1 21 ALA N 1 21 ALA CA 1 21 ALA C 1 22 GLU N 0.00 -100.00 -23.82 -23.76 -23.94 25.89 9 23 [*******-+**************]
25 . 1 21 ALA C 1 22 GLU N 1 22 GLU CA 1 22 GLU C -20.00 -120.00 -62.22 -64.74 -59.78 44.74 8 23 [*******+******-********]
26 . 1 22 GLU N 1 22 GLU CA 1 22 GLU C 1 23 ASN N 0.00 -100.00 -19.09 -18.82 -19.21 21.60 10 23 [*********+**-**********]
27 . 1 22 GLU C 1 23 ASN N 1 23 ASN CA 1 23 ASN C -20.00 -120.00 -65.27 -65.27 -65.37 46.00 10 23 [*********+****-********]
28 . 1 23 ASN N 1 23 ASN CA 1 23 ASN C 1 24 LEU N 0.00 -100.00 -18.23 -20.50 -16.47 20.50 15 23 [-*************+********]
29 . 1 25 LEU C 1 26 LYS N 1 26 LYS CA 1 26 LYS C -80.00 -160.00 -115.91 -109.44 -112.25 39.99 1 23 [+-*********************]
30 . 1 26 LYS N 1 26 LYS CA 1 26 LYS C 1 27 ALA N -160.00 40.00 67.21 60.81 76.15 36.15 12 23 [***********+-**********]
31 . 1 30 TYR C 1 31 ARG N 1 31 ARG CA 1 31 ARG C -80.00 -160.00 -139.79 -86.50 -119.89 39.89 5 14 "[*** + * * -****** 2* ]"
32 . 1 31 ARG C 1 32 LYS N 1 32 LYS CA 1 32 LYS C -80.00 -160.00 -128.20 -160.32 -83.62 39.47 20 20 "[*-**** ***********+* *]"
33 . 1 32 LYS N 1 32 LYS CA 1 32 LYS C 1 33 TRP N -160.00 40.00 -170.61 -160.41 -160.96 53.62 8 12 "[ **** + 1* * .**- ** ]"
34 . 1 32 LYS C 1 33 TRP N 1 33 TRP CA 1 33 TRP C -30.00 160.00 -85.53 -85.43 -88.36 67.58 10 23 [*******-*+*************]
35 . 1 33 TRP N 1 33 TRP CA 1 33 TRP C 1 34 ARG N -160.00 40.00 138.31 114.90 142.21 74.90 8 23 [**-****+***************]
36 . 1 33 TRP C 1 34 ARG N 1 34 ARG CA 1 34 ARG C -80.00 -160.00 -142.68 -149.00 -116.88 36.88 8 23 [*******+***-***********]
37 . 1 34 ARG N 1 34 ARG CA 1 34 ARG C 1 35 ALA N -160.00 40.00 127.24 120.54 132.06 79.46 10 23 [-********+*************]
38 . 1 34 ARG C 1 35 ALA N 1 35 ALA CA 1 35 ALA C -20.00 -120.00 -52.25 -53.73 -54.21 36.49 17 23 [********-*******+******]
39 . 1 41 LYS C 1 42 THR N 1 42 THR CA 1 42 THR C -80.00 -160.00 -155.88 -159.09 -160.32 28.03 14 4 "[ *. -* 1 +. 2 ]"
40 . 1 42 THR N 1 42 THR CA 1 42 THR C 1 43 ILE N -160.00 40.00 124.10 105.01 143.54 79.87 22 23 [*********-***********+*]
41 . 1 42 THR C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -80.00 -160.00 -124.51 -130.20 -132.34 39.77 23 23 [**-*******************+]
42 . 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 SER N -160.00 40.00 143.92 145.75 142.20 67.78 6 23 [*****+**********-******]
43 . 1 43 ILE C 1 44 SER N 1 44 SER CA 1 44 SER C -80.00 -160.00 -123.81 -129.97 -112.22 38.85 14 23 [******-******+*********]
44 . 1 44 SER N 1 44 SER CA 1 44 SER C 1 45 VAL N -160.00 40.00 142.58 115.06 150.49 77.35 15 23 [*******-******+********]
45 . 1 44 SER C 1 45 VAL N 1 45 VAL CA 1 45 VAL C -80.00 -160.00 -147.56 -152.32 -153.60 36.77 15 21 "[ **********-**+******* ]"
46 . 1 45 VAL N 1 45 VAL CA 1 45 VAL C 1 46 VAL N -160.00 40.00 111.86 101.30 126.50 78.76 4 23 [***+-******************]
47 . 1 45 VAL C 1 46 VAL N 1 46 VAL CA 1 46 VAL C -80.00 -160.00 -94.64 -97.03 -97.57 24.76 10 23 [*********+********-****]
48 . 1 46 VAL N 1 46 VAL CA 1 46 VAL C 1 47 LEU N -160.00 60.00 119.51 113.30 130.14 69.86 22 23 [**************-******+*]
49 . 1 46 VAL C 1 47 LEU N 1 47 LEU CA 1 47 LEU C -80.00 -160.00 -99.78 -104.03 -95.26 24.03 2 23 [*+********************-]
50 . 1 47 LEU N 1 47 LEU CA 1 47 LEU C 1 48 GLN N -160.00 40.00 161.23 149.97 171.09 50.03 2 23 [*+************-********]
51 . 1 47 LEU C 1 48 GLN N 1 48 GLN CA 1 48 GLN C -80.00 -160.00 -106.86 -91.50 -93.19 38.40 22 23 [*-*******************+*]
52 . 1 48 GLN N 1 48 GLN CA 1 48 GLN C 1 49 LEU N -160.00 40.00 141.07 153.71 148.41 79.76 8 23 [*******+******-********]
53 . 1 49 LEU C 1 50 GLU N 1 50 GLU CA 1 50 GLU C -20.00 -120.00 -71.98 -54.06 -56.45 49.09 19 23 [*-****************+****]
54 . 1 51 LYS C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -20.00 -120.00 -75.04 -75.27 -75.44 46.21 16 23 [***************+-******]
55 . 1 52 GLU C 1 53 GLU N 1 53 GLU CA 1 53 GLU C -80.00 -160.00 -140.58 -149.88 -131.35 28.65 21 23 [**-*****************+**]
56 . 1 53 GLU N 1 53 GLU CA 1 53 GLU C 1 54 GLN N -160.00 60.00 177.74 165.66 -172.85 34.34 8 23 [**-****+***************]
57 . 1 53 GLU C 1 54 GLN N 1 54 GLN CA 1 54 GLN C -30.00 160.00 -87.63 -87.94 -89.92 66.48 23 23 [**************-*******+]
58 . 1 54 GLN N 1 54 GLN CA 1 54 GLN C 1 55 ILE N -160.00 40.00 178.95 177.23 175.48 41.02 1 23 [+***************-******]
59 . 1 54 GLN C 1 55 ILE N 1 55 ILE CA 1 55 ILE C -80.00 -160.00 -133.88 -143.22 -113.08 37.27 6 23 [*****+*-***************]
60 . 1 55 ILE N 1 55 ILE CA 1 55 ILE C 1 56 HIS N -160.00 40.00 126.09 115.20 174.89 79.96 14 23 [*************+******-**]
61 . 1 55 ILE C 1 56 HIS N 1 56 HIS CA 1 56 HIS C -30.00 160.00 -115.12 -113.32 -113.83 84.18 3 23 [**+*****************-**]
62 . 1 57 SER C 1 58 VAL N 1 58 VAL CA 1 58 VAL C -80.00 -160.00 -139.59 -147.82 -125.04 34.96 22 23 [*****-***************+*]
63 . 1 58 VAL N 1 58 VAL CA 1 58 VAL C 1 59 ASP N -160.00 40.00 161.11 157.53 154.56 45.44 1 23 [+***********-**********]
64 . 1 58 VAL C 1 59 ASP N 1 59 ASP CA 1 59 ASP C -80.00 -160.00 -138.43 -133.50 -134.68 28.45 2 23 [*+*********-***********]
65 . 1 59 ASP N 1 59 ASP CA 1 59 ASP C 1 60 ILE N -160.00 40.00 129.59 115.66 102.07 75.66 12 23 [***********+*-*********]
66 . 1 59 ASP C 1 60 ILE N 1 60 ILE CA 1 60 ILE C -80.00 -160.00 -148.10 -160.25 -115.18 37.69 7 15 "[*** **+*** **-* * 2* ]"
67 . 1 60 ILE N 1 60 ILE CA 1 60 ILE C 1 61 GLY N -160.00 40.00 129.87 117.98 141.42 79.79 12 23 [-**********+***********]
68 . 1 66 ALA C 1 67 PHE N 1 67 PHE CA 1 67 PHE C -80.00 -160.00 -102.37 -117.85 -90.99 37.85 12 23 [**********-+***********]
69 . 1 67 PHE N 1 67 PHE CA 1 67 PHE C 1 68 VAL N -160.00 40.00 126.65 116.46 140.43 79.40 10 23 [***-*****+*************]
70 . 1 67 PHE C 1 68 VAL N 1 68 VAL CA 1 68 VAL C -80.00 -160.00 -129.04 -125.23 -126.43 39.56 18 23 [***-*************+*****]
71 . 1 68 VAL N 1 68 VAL CA 1 68 VAL C 1 69 GLU N -160.00 40.00 110.73 109.77 109.21 74.09 19 23 [*****************-+****]
72 . 1 68 VAL C 1 69 GLU N 1 69 GLU CA 1 69 GLU C -80.00 -160.00 -102.85 -107.86 -86.88 27.86 10 23 [*********+*******-*****]
73 . 1 69 GLU N 1 69 GLU CA 1 69 GLU C 1 70 VAL N -160.00 40.00 143.17 121.97 151.36 78.03 3 23 [**+************-*******]
74 . 1 69 GLU C 1 70 VAL N 1 70 VAL CA 1 70 VAL C -80.00 -160.00 -131.60 -141.53 -113.74 37.82 22 23 [***************-*****+*]
75 . 1 70 VAL N 1 70 VAL CA 1 70 VAL C 1 71 LEU N -160.00 40.00 125.55 119.52 131.55 79.97 12 23 [***-*******+***********]
76 . 1 70 VAL C 1 71 LEU N 1 71 LEU CA 1 71 LEU C -80.00 -160.00 -113.14 -112.13 -112.68 38.35 3 23 [**+*******-************]
77 . 1 71 LEU N 1 71 LEU CA 1 71 LEU C 1 72 VAL N -160.00 40.00 161.68 162.01 161.31 42.97 6 23 [***-*+*****************]
78 . 1 71 LEU C 1 72 VAL N 1 72 VAL CA 1 72 VAL C -80.00 -160.00 -124.66 -131.19 -119.60 39.75 8 23 [**-****+***************]
79 . 1 72 VAL N 1 72 VAL CA 1 72 VAL C 1 73 GLY N -160.00 40.00 159.33 156.73 155.55 48.89 19 23 [*********-********+****]
80 . 1 73 GLY C 1 74 SER N 1 74 SER CA 1 74 SER C -80.00 -160.00 -113.99 -112.22 -113.21 39.92 5 23 [****+*****-************]
81 . 1 74 SER N 1 74 SER CA 1 74 SER C 1 75 SER N -160.00 40.00 159.91 153.26 170.45 46.74 7 23 [-*****+****************]
82 . 1 84 TYR C 1 85 GLU N 1 85 GLU CA 1 85 GLU C -80.00 -160.00 -121.01 -139.52 -101.69 39.32 15 23 [*************-+********]
83 . 1 85 GLU N 1 85 GLU CA 1 85 GLU C 1 86 VAL N -160.00 40.00 133.37 124.77 147.67 75.23 15 23 [*******-******+********]
84 . 1 89 VAL C 1 90 THR N 1 90 THR CA 1 90 THR C -20.00 -120.00 -63.65 -68.14 -69.51 49.64 14 23 [***********-*+*********]
85 . 1 90 THR C 1 91 SER N 1 91 SER CA 1 91 SER C -80.00 -160.00 -102.11 -109.20 -95.70 29.20 14 23 [***********-*+*********]
86 . 1 91 SER N 1 91 SER CA 1 91 SER C 1 92 SER N -160.00 40.00 123.16 112.93 132.90 79.11 10 23 [***-*****+*************]
87 . 1 93 PHE C 1 94 MET N 1 94 MET CA 1 94 MET C -20.00 -120.00 -120.82 -122.55 -117.79 2.21 10 0 "[ . 1 . 2 ]"
88 . 1 94 MET C 1 95 SER N 1 95 SER CA 1 95 SER C -80.00 -160.00 -119.68 -130.64 -159.41 39.88 21 22 "[ **-****************+**]"
89 . 1 96 PRO C 1 97 SER N 1 97 SER CA 1 97 SER C -20.00 -120.00 -118.68 -121.68 -83.20 36.80 1 2 "[+ . 1 . -2 ]"
90 . 1 97 SER N 1 97 SER CA 1 97 SER C 1 98 GLU N 0.00 -100.00 -44.08 -55.08 -35.03 50.00 14 23 [*************+*****-***]
91 . 1 97 SER C 1 98 GLU N 1 98 GLU CA 1 98 GLU C -20.00 -120.00 -70.13 -85.12 -55.96 48.16 17 23 [****************+*****-]
92 . 1 98 GLU N 1 98 GLU CA 1 98 GLU C 1 99 SER N 0.00 -100.00 -19.38 -7.33 -12.90 34.61 1 21 "[+-*** ****************]"
93 . 1 98 GLU C 1 99 SER N 1 99 SER CA 1 99 SER C -20.00 -120.00 -58.44 -83.21 -45.71 46.36 1 23 [+************-*********]
94 . 1 99 SER N 1 99 SER CA 1 99 SER C 1 100 ARG N 0.00 -100.00 -24.73 -36.32 -7.27 36.32 15 23 [-*************+********]
95 . 1 99 SER C 1 100 ARG N 1 100 ARG CA 1 100 ARG C -20.00 -120.00 -78.84 -94.54 -109.00 49.32 18 23 [-****************+*****]
96 . 1 100 ARG N 1 100 ARG CA 1 100 ARG C 1 101 SER N 0.00 -100.00 -82.70 -92.33 -52.39 47.61 1 23 [+*******-**************]
97 . 1 100 ARG C 1 101 SER N 1 101 SER CA 1 101 SER C -80.00 -160.00 -161.07 -164.44 -120.94 39.06 1 1 "[+ . 1 . 2 ]"
98 . 1 101 SER N 1 101 SER CA 1 101 SER C 1 102 GLY N -160.00 40.00 38.10 37.17 35.86 . . 0 "[ . 1 . 2 ]"
99 . 1 105 PRO C 1 106 ASN N 1 106 ASN CA 1 106 ASN C -80.00 -160.00 -133.48 -128.06 -128.86 35.53 15 23 [***********-**+********]
100 . 1 106 ASN N 1 106 ASN CA 1 106 ASN C 1 107 ARG N -160.00 60.00 117.38 112.45 109.75 69.94 10 23 [******-**+*************]
101 . 1 106 ASN C 1 107 ARG N 1 107 ARG CA 1 107 ARG C -80.00 -160.00 -143.13 -160.89 -111.83 36.90 16 14 "[** ***-*1* * .+**** ]"
102 . 1 107 ARG N 1 107 ARG CA 1 107 ARG C 1 108 VAL N -160.00 40.00 179.39 -176.13 176.69 72.55 11 19 "[** ** * **+ *-*********]"
103 . 1 107 ARG C 1 108 VAL N 1 108 VAL CA 1 108 VAL C -80.00 -160.00 -130.65 -121.29 -124.59 39.06 19 21 "[*****-**** ***.***+****]"
104 . 1 108 VAL N 1 108 VAL CA 1 108 VAL C 1 109 ARG N -160.00 40.00 156.85 115.26 -173.31 75.26 15 23 [***-**********+********]
105 . 1 108 VAL C 1 109 ARG N 1 109 ARG CA 1 109 ARG C -80.00 -160.00 -147.59 -145.97 -152.18 32.51 15 17 "[ * **** *****+ -***** ]"
106 . 1 109 ARG N 1 109 ARG CA 1 109 ARG C 1 110 MET N -160.00 60.00 151.43 124.55 -179.23 68.20 13 23 [************+*******-**]
107 . 1 109 ARG C 1 110 MET N 1 110 MET CA 1 110 MET C -80.00 -160.00 -126.96 -112.42 -123.25 36.75 1 23 [+****************-*****]
108 . 1 110 MET N 1 110 MET CA 1 110 MET C 1 111 PHE N -160.00 40.00 163.42 143.34 178.56 56.66 10 23 [*********+*******-*****]
109 . 1 110 MET C 1 111 PHE N 1 111 PHE CA 1 111 PHE C -80.00 -160.00 -127.19 -127.32 -128.82 39.76 14 23 [*************+***-*****]
110 . 1 111 PHE N 1 111 PHE CA 1 111 PHE C 1 112 GLY N -160.00 60.00 161.18 158.10 105.63 45.63 7 23 [******+*-**************]
111 . 1 114 ASP C 1 115 LYS N 1 115 LYS CA 1 115 LYS C -30.00 160.00 -94.04 -90.32 -91.50 82.48 13 23 [************+*-********]
112 . 1 116 LEU C 1 117 VAL N 1 117 VAL CA 1 117 VAL C -20.00 -120.00 -59.14 -60.68 -61.42 48.26 12 23 [**-********+***********]
113 . 1 117 VAL C 1 118 ARG N 1 118 ARG CA 1 118 ARG C -20.00 -120.00 -75.00 -75.80 -76.96 49.20 21 23 [*****************-**+**]
114 . 1 118 ARG N 1 118 ARG CA 1 118 ARG C 1 119 ALA N 0.00 -100.00 -34.56 -41.09 -29.92 41.09 21 23 [**********-*********+**]
115 . 1 118 ARG C 1 119 ALA N 1 119 ALA CA 1 119 ALA C -20.00 -120.00 -64.00 -64.05 -64.53 48.60 11 23 [**********+*********-**]
116 . 1 119 ALA N 1 119 ALA CA 1 119 ALA C 1 120 ALA N 0.00 -100.00 -23.77 -21.56 -22.44 44.89 3 23 [**+*******-************]
117 . 1 120 ALA C 1 121 ALA N 1 121 ALA CA 1 121 ALA C -20.00 -120.00 -48.32 -49.05 -49.10 30.96 12 23 [**-********+***********]
118 . 1 121 ALA N 1 121 ALA CA 1 121 ALA C 1 122 GLU N 0.00 -100.00 -36.74 -42.76 -28.10 42.76 3 23 [**+********-***********]
119 . 1 122 GLU C 1 123 LYS N 1 123 LYS CA 1 123 LYS C -80.00 -160.00 -95.28 -118.34 -90.31 38.34 12 23 [***********+******-****]
120 . 1 123 LYS N 1 123 LYS CA 1 123 LYS C 1 124 ARG N -160.00 60.00 134.51 130.14 137.61 69.86 3 23 [**+****-***************]
121 . 1 123 LYS C 1 124 ARG N 1 124 ARG CA 1 124 ARG C -30.00 160.00 -67.87 -68.23 -68.41 43.34 10 23 [*********+****-********]
122 . 1 124 ARG N 1 124 ARG CA 1 124 ARG C 1 125 TRP N -160.00 40.00 111.16 112.43 111.61 76.24 15 23 [**************+*****-**]
123 . 1 124 ARG C 1 125 TRP N 1 125 TRP CA 1 125 TRP C -80.00 -160.00 -114.57 -122.66 -108.09 37.78 22 23 [********************-+*]
124 . 1 125 TRP N 1 125 TRP CA 1 125 TRP C 1 126 ASP N -160.00 60.00 161.95 162.85 162.36 49.97 21 23 [*************-******+**]
125 . 1 125 TRP C 1 126 ASP N 1 126 ASP CA 1 126 ASP C -30.00 160.00 -136.29 -137.27 -137.50 71.16 21 23 [****************-***+**]
126 . 1 126 ASP C 1 127 ARG N 1 127 ARG CA 1 127 ARG C -80.00 -160.00 -141.71 -148.72 -132.52 27.48 13 23 [************+********-*]
127 . 1 127 ARG N 1 127 ARG CA 1 127 ARG C 1 128 VAL N -160.00 40.00 144.97 144.22 143.00 63.07 5 23 [****+****************-*]
128 . 1 127 ARG C 1 128 VAL N 1 128 VAL CA 1 128 VAL C -80.00 -160.00 -136.05 -135.41 -136.61 32.25 5 23 [****+*******-**********]
129 . 1 128 VAL N 1 128 VAL CA 1 128 VAL C 1 129 LYS N -160.00 40.00 141.90 142.07 141.59 61.69 16 23 [***************+*****-*]
130 . 1 128 VAL C 1 129 LYS N 1 129 LYS CA 1 129 LYS C -80.00 -160.00 -107.78 -112.77 -100.33 32.77 8 23 [***-***+***************]
131 . 1 129 LYS N 1 129 LYS CA 1 129 LYS C 1 130 ILE N -160.00 40.00 115.98 100.81 142.93 78.91 15 23 [***-**********+********]
132 . 1 129 LYS C 1 130 ILE N 1 130 ILE CA 1 130 ILE C -80.00 -160.00 -108.46 -105.78 -106.93 39.68 12 23 [***********+***-*******]
133 . 1 130 ILE N 1 130 ILE CA 1 130 ILE C 1 131 VAL N -160.00 60.00 118.89 107.51 131.68 69.46 17 23 [***-************+******]
134 . 1 130 ILE C 1 131 VAL N 1 131 VAL CA 1 131 VAL C -80.00 -160.00 -123.57 -125.01 -126.20 39.86 6 23 [*****+****-************]
135 . 1 131 VAL N 1 131 VAL CA 1 131 VAL C 1 132 CYS N -160.00 40.00 119.35 109.22 130.01 79.94 22 23 [**-******************+*]
136 . 1 131 VAL C 1 132 CYS N 1 132 CYS CA 1 132 CYS C -80.00 -160.00 -92.97 -92.49 -93.15 20.57 16 21 "[** ***** ******+***-***]"
137 . 1 132 CYS N 1 132 CYS CA 1 132 CYS C 1 133 SER N -160.00 40.00 143.73 93.56 156.60 69.76 11 23 [**********+**-*********]
138 . 1 132 CYS C 1 133 SER N 1 133 SER CA 1 133 SER C -80.00 -160.00 -143.83 -148.90 -150.26 26.23 11 20 "[-* *****1+************]"
139 . 1 133 SER N 1 133 SER CA 1 133 SER C 1 134 GLN N -160.00 40.00 127.11 118.77 143.02 79.06 3 23 [**+-*******************]
140 . 1 133 SER C 1 134 GLN N 1 134 GLN CA 1 134 GLN C -30.00 150.00 157.54 148.09 173.91 23.91 12 14 "[*** .* * 1*+* * **-* *]"
141 . 1 135 PRO C 1 136 TYR N 1 136 TYR CA 1 136 TYR C -30.00 160.00 -121.39 -132.00 -134.16 84.62 9 23 [********+******-*******]
142 . 1 141 PRO C 1 142 PHE N 1 142 PHE CA 1 142 PHE C -30.00 150.00 -179.91 178.76 176.80 48.52 8 23 [*******+**-************]
143 . 1 143 GLY C 1 144 LEU N 1 144 LEU CA 1 144 LEU C -80.00 -160.00 -122.21 -112.25 -114.17 39.88 3 23 [**+******-*************]
144 . 1 144 LEU N 1 144 LEU CA 1 144 LEU C 1 145 SER N -160.00 40.00 156.35 144.94 165.04 55.06 2 23 [*+*******-*************]
145 . 1 144 LEU C 1 145 SER N 1 145 SER CA 1 145 SER C -30.00 160.00 -85.80 -86.45 -87.34 69.14 17 23 [************-***+******]
146 . 1 145 SER C 1 146 PHE N 1 146 PHE CA 1 146 PHE C -30.00 160.00 -178.57 171.65 -175.07 24.93 10 23 [*********+************-]
147 . 1 146 PHE C 1 147 VAL N 1 147 VAL CA 1 147 VAL C -80.00 -160.00 -146.12 -155.65 -138.64 21.36 19 22 "[****-******* *****+****]"
148 . 1 147 VAL N 1 147 VAL CA 1 147 VAL C 1 148 ARG N -160.00 40.00 137.37 128.24 123.88 77.30 1 23 [+****-*****************]
149 . 1 147 VAL C 1 148 ARG N 1 148 ARG CA 1 148 ARG C -80.00 -160.00 -145.84 -160.49 -130.26 29.74 17 21 "[*** * *-********+******]"
150 . 1 148 ARG N 1 148 ARG CA 1 148 ARG C 1 149 PHE N -160.00 40.00 134.74 101.22 167.31 78.34 20 23 [*******************+**-]
151 . 1 148 ARG C 1 149 PHE N 1 149 PHE CA 1 149 PHE C -80.00 -160.00 -114.23 -87.94 -88.64 32.29 16 23 [********-******+*******]
152 . 1 149 PHE N 1 149 PHE CA 1 149 PHE C 1 150 HIS N -160.00 40.00 155.61 156.68 156.01 51.56 13 23 [************+***-******]
153 . 1 149 PHE C 1 150 HIS N 1 150 HIS CA 1 150 HIS C -80.00 -160.00 -153.05 -158.63 -145.90 14.10 9 14 "[** .***+****-* * * ]"
154 . 1 150 HIS N 1 150 HIS CA 1 150 HIS C 1 151 SER N -160.00 40.00 131.81 136.01 133.54 79.88 6 23 [*****+***************-*]
155 . 1 4 ILE N 1 4 ILE CA 1 4 ILE CB 1 4 ILE CG1 0.00 -120.00 -66.26 -77.10 -52.20 59.92 23 23 [******-***************+]
156 . 1 8 HIS N 1 8 HIS CA 1 8 HIS CB 1 8 HIS CG 120.00 -0.00 54.63 54.34 54.15 58.18 9 23 [********+********-*****]
157 . 1 9 VAL N 1 9 VAL CA 1 9 VAL CB 1 9 VAL CG1 120.00 -0.00 58.95 59.08 58.74 59.98 9 23 [********+*******-******]
158 . 1 10 VAL N 1 10 VAL CA 1 10 VAL CB 1 10 VAL CG1 120.00 -0.00 45.74 41.98 49.28 49.28 23 23 [****-*****************+]
159 . 1 19 HIS N 1 19 HIS CA 1 19 HIS CB 1 19 HIS CG 0.00 -120.00 -63.37 -81.78 -49.85 59.12 22 23 [***-*****************+*]
160 . 1 20 CYS N 1 20 CYS CA 1 20 CYS CB 1 20 CYS SG 120.00 -0.00 57.53 55.73 59.59 59.59 4 23 [*-*+*******************]
161 . 1 23 ASN N 1 23 ASN CA 1 23 ASN CB 1 23 ASN CG 0.00 -120.00 -79.66 -85.00 -70.23 49.77 10 23 [*********+****-********]
162 . 1 26 LYS N 1 26 LYS CA 1 26 LYS CB 1 26 LYS CG 0.00 -120.00 -46.80 -48.67 -49.25 51.48 7 23 [******+*******-********]
163 . 1 30 TYR N 1 30 TYR CA 1 30 TYR CB 1 30 TYR CG 120.00 -0.00 58.48 37.52 75.75 59.97 18 23 [*******-*********+*****]
164 . 1 33 TRP N 1 33 TRP CA 1 33 TRP CB 1 33 TRP CG -120.00 120.00 -177.35 -177.21 -177.69 59.94 4 23 [***+*******-***********]
165 . 1 40 GLU N 1 40 GLU CA 1 40 GLU CB 1 40 GLU CG 0.00 -120.00 -71.45 -92.16 -100.78 59.70 18 23 [-****************+*****]
166 . 1 42 THR N 1 42 THR CA 1 42 THR CB 1 42 THR OG1 120.00 -0.00 50.52 49.82 46.98 58.73 7 23 [****-*+****************]
167 . 1 43 ILE N 1 43 ILE CA 1 43 ILE CB 1 43 ILE CG1 120.00 -0.00 44.46 46.18 45.50 52.04 8 23 [**-****+***************]
168 . 1 45 VAL N 1 45 VAL CA 1 45 VAL CB 1 45 VAL CG1 120.00 -0.00 60.30 57.96 61.88 59.97 5 23 [****+*********-********]
169 . 1 46 VAL N 1 46 VAL CA 1 46 VAL CB 1 46 VAL CG1 -120.00 120.00 -165.55 -168.28 -169.36 51.00 7 23 [******+*************-**]
170 . 1 51 LYS N 1 51 LYS CA 1 51 LYS CB 1 51 LYS CG 120.00 -0.00 46.44 50.41 49.56 56.33 19 22 "[**********-***** *+****]"
171 . 1 53 GLU N 1 53 GLU CA 1 53 GLU CB 1 53 GLU CG 120.00 -0.00 25.97 -1.52 75.15 52.44 19 19 "[** ******* **** *+**-*]"
172 . 1 54 GLN N 1 54 GLN CA 1 54 GLN CB 1 54 GLN CG 0.00 -120.00 -60.84 -60.06 -60.53 59.94 4 23 [***+*******-***********]
173 . 1 56 HIS N 1 56 HIS CA 1 56 HIS CB 1 56 HIS CG -120.00 120.00 -167.05 177.86 -150.40 57.86 7 23 [******+**************-*]
174 . 1 57 SER N 1 57 SER CA 1 57 SER CB 1 57 SER OG 0.00 -120.00 -87.11 -98.05 -75.30 44.70 16 23 [***************+***-***]
175 . 1 67 PHE N 1 67 PHE CA 1 67 PHE CB 1 67 PHE CG 0.00 -120.00 -55.05 -59.82 -51.65 59.82 8 23 [*******+********-******]
176 . 1 71 LEU N 1 71 LEU CA 1 71 LEU CB 1 71 LEU CG 0.00 -120.00 -107.88 -111.81 -91.92 28.08 6 23 [*****+***********-*****]
177 . 1 84 TYR N 1 84 TYR CA 1 84 TYR CB 1 84 TYR CG 0.00 -120.00 -81.35 -86.39 -71.67 48.33 1 23 [+*********-************]
178 . 1 85 GLU N 1 85 GLU CA 1 85 GLU CB 1 85 GLU CG 120.00 -0.00 61.05 -2.09 122.76 29.84 1 2 "[+ . 1 . - 2 ]"
179 . 1 86 VAL N 1 86 VAL CA 1 86 VAL CB 1 86 VAL CG1 -120.00 120.00 -174.85 -178.03 -172.57 58.03 6 23 [*****+-****************]
180 . 1 87 LEU N 1 87 LEU CA 1 87 LEU CB 1 87 LEU CG -120.00 120.00 -163.09 179.56 -144.56 59.56 18 23 [**************-**+*****]
181 . 1 90 THR N 1 90 THR CA 1 90 THR CB 1 90 THR OG1 -120.00 120.00 -146.25 -148.42 -148.74 35.52 19 21 "[** ******** ******+**-*]"
182 . 1 91 SER N 1 91 SER CA 1 91 SER CB 1 91 SER OG 120.00 -0.00 47.79 29.22 84.50 58.65 6 23 [*****+***********-*****]
183 . 1 94 MET N 1 94 MET CA 1 94 MET CB 1 94 MET CG 0.00 -120.00 -80.65 -120.42 -27.02 58.68 1 20 "[+***-****1*** .********]"
184 . 1 95 SER N 1 95 SER CA 1 95 SER CB 1 95 SER OG 120.00 -0.00 72.95 10.61 88.00 41.39 20 23 [***-***************+***]
185 . 1 103 SER N 1 103 SER CA 1 103 SER CB 1 103 SER OG 0.00 -120.00 -105.87 -115.16 -94.21 25.79 1 22 "[+****-********** ******]"
186 . 1 116 LEU N 1 116 LEU CA 1 116 LEU CB 1 116 LEU CG 120.00 -0.00 54.81 18.57 120.98 49.35 11 19 "[** ******1+* *-***** **]"
187 . 1 116 LEU CA 1 116 LEU CB 1 116 LEU CG 1 116 LEU CD1 120.00 -0.00 85.95 81.34 80.22 42.85 11 22 [**********+***.*****-**]
188 . 1 122 GLU N 1 122 GLU CA 1 122 GLU CB 1 122 GLU CG 120.00 -0.00 61.80 63.50 62.72 59.51 13 23 [***********-+**********]
189 . 1 123 LYS N 1 123 LYS CA 1 123 LYS CB 1 123 LYS CG 0.00 -120.00 -61.43 -90.44 -52.25 58.85 22 23 [*********-***********+*]
190 . 1 125 TRP N 1 125 TRP CA 1 125 TRP CB 1 125 TRP CG 0.00 -120.00 -56.61 -58.79 -53.19 58.79 9 23 [********+***-**********]
191 . 1 128 VAL N 1 128 VAL CA 1 128 VAL CB 1 128 VAL CG1 120.00 -0.00 74.83 72.74 72.60 49.58 3 23 [**+************-*******]
192 . 1 131 VAL N 1 131 VAL CA 1 131 VAL CB 1 131 VAL CG1 -120.00 120.00 -175.97 -176.62 -176.78 58.72 20 23 [****************-**+***]
193 . 1 137 SER N 1 137 SER CA 1 137 SER CB 1 137 SER OG -120.00 120.00 -132.92 -175.93 -119.02 55.93 12 10 "[ ** - 1*+ *.** ** ]"
194 . 1 139 ASP N 1 139 ASP CA 1 139 ASP CB 1 139 ASP CG 120.00 -0.00 48.10 26.23 53.14 53.14 19 23 [***************-**+****]
195 . 1 140 SER N 1 140 SER CA 1 140 SER CB 1 140 SER OG 120.00 -0.00 31.51 26.56 76.90 43.10 17 23 [***************-+******]
196 . 1 146 PHE N 1 146 PHE CA 1 146 PHE CB 1 146 PHE CG 120.00 -0.00 62.20 57.67 66.30 59.85 14 23 [******-******+*********]
197 . 1 147 VAL N 1 147 VAL CA 1 147 VAL CB 1 147 VAL CG1 0.00 -120.00 -60.38 -70.05 -55.40 59.95 11 23 [**********+*-**********]
198 . 1 149 PHE N 1 149 PHE CA 1 149 PHE CB 1 149 PHE CG 0.00 -120.00 -62.38 -59.03 -60.53 59.47 23 23 [********************-*+]
199 . 1 150 HIS N 1 150 HIS CA 1 150 HIS CB 1 150 HIS CG 120.00 -0.00 7.91 11.02 3.36 20.06 22 13 "[ ** .*** ***-*. *2*+ ]"
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