NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
590990 |
2n0k   |
25527 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2n0k
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 226
_TA_constraint_stats_list.Viol_count 662
_TA_constraint_stats_list.Viol_total 112920.84
_TA_constraint_stats_list.Viol_max 134.61
_TA_constraint_stats_list.Viol_rms 14.60
_TA_constraint_stats_list.Viol_average_all_restraints 6.17
_TA_constraint_stats_list.Viol_average_violations_only 18.95
_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 20 HIS C 1 21 PHE N 1 21 PHE CA 1 21 PHE C -147.20 -50.20 -108.16 -122.84 -146.31 8.68 5 1 "[ + ]"
2 . 1 30 VAL C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -140.40 -85.70 -131.94 -105.94 -127.85 7.08 9 1 "[ . +]"
3 . 1 55 PHE C 1 56 HIS N 1 56 HIS CA 1 56 HIS C -146.20 -113.20 -143.29 -163.60 -130.80 17.40 8 2 "[ . -+ ]"
4 . 1 57 ARG C 1 58 LYS N 1 58 LYS CA 1 58 LYS C -119.80 -64.70 -81.37 -90.47 -93.88 . . 0 "[ . ]"
5 . 1 75 SER C 1 76 SER N 1 76 SER CA 1 76 SER C -77.50 -45.70 -71.34 -68.43 -69.25 . . 0 "[ . ]"
6 . 2 11 ARG C 2 12 PHE N 2 12 PHE CA 2 12 PHE C -165.40 -67.70 -120.95 -172.51 -96.43 7.11 9 1 "[ . +]"
7 . 2 12 PHE N 2 12 PHE CA 2 12 PHE C 2 13 SER N 61.10 172.40 129.42 146.92 131.67 . . 0 "[ . ]"
8 . 2 12 PHE C 2 13 SER N 2 13 SER CA 2 13 SER C -142.50 -80.30 -135.97 -146.37 -112.44 3.87 3 0 "[ . ]"
9 . 2 13 SER N 2 13 SER CA 2 13 SER C 2 14 VAL N 118.60 160.40 147.82 154.08 147.89 12.51 9 1 "[ . +]"
10 . 2 13 SER C 2 14 VAL N 2 14 VAL CA 2 14 VAL C -167.40 -101.30 -127.86 -133.85 -139.85 2.48 4 0 "[ . ]"
11 . 2 14 VAL N 2 14 VAL CA 2 14 VAL C 2 15 ASN N 117.20 -179.00 122.01 144.73 136.29 19.01 5 4 "[ *+* - ]"
12 . 2 14 VAL C 2 15 ASN N 2 15 ASN CA 2 15 ASN C -149.90 -87.10 -100.88 -137.36 -84.74 2.36 4 0 "[ . ]"
13 . 2 15 ASN N 2 15 ASN CA 2 15 ASN C 2 16 LEU N 110.60 159.60 113.96 85.54 147.04 25.06 4 3 "[ * +. - ]"
14 . 2 15 ASN C 2 16 LEU N 2 16 LEU CA 2 16 LEU C -165.50 -101.30 -118.20 -118.07 -130.47 23.46 4 1 "[ +. ]"
15 . 2 16 LEU N 2 16 LEU CA 2 16 LEU C 2 17 ASP N 102.70 169.10 146.64 150.85 146.36 . . 0 "[ . ]"
16 . 2 16 LEU C 2 17 ASP N 2 17 ASP CA 2 17 ASP C -97.50 -52.60 -91.93 -102.86 -82.13 5.36 3 1 "[ + . ]"
17 . 2 17 ASP N 2 17 ASP CA 2 17 ASP C 2 18 VAL N 115.00 150.20 113.51 113.66 113.21 10.35 8 2 "[ - . + ]"
18 . 2 20 HIS C 2 21 PHE N 2 21 PHE CA 2 21 PHE C -147.20 -50.20 -108.17 -122.88 -146.23 8.72 5 1 "[ + ]"
19 . 2 21 PHE N 2 21 PHE CA 2 21 PHE C 2 22 SER N 90.20 -179.30 160.54 145.33 -179.11 0.19 1 0 "[ . ]"
20 . 2 21 PHE C 2 22 SER N 2 22 SER CA 2 22 SER C -132.20 -46.30 -106.42 -109.82 -124.73 . . 0 "[ . ]"
21 . 2 22 SER N 2 22 SER CA 2 22 SER C 2 23 PRO N 90.80 173.70 151.02 137.47 166.75 . . 0 "[ . ]"
22 . 2 25 GLU C 2 26 LEU N 2 26 LEU CA 2 26 LEU C -166.10 -92.70 -98.61 -136.38 -72.58 20.12 7 2 "[ -. + ]"
23 . 2 26 LEU N 2 26 LEU CA 2 26 LEU C 2 27 LYS N 125.50 178.10 123.66 112.79 103.96 28.77 1 5 "[+-* .* * ]"
24 . 2 26 LEU C 2 27 LYS N 2 27 LYS CA 2 27 LYS C -148.40 -95.40 -120.04 -152.97 -95.29 4.57 9 0 "[ . ]"
25 . 2 27 LYS N 2 27 LYS CA 2 27 LYS C 2 28 VAL N 93.20 154.50 91.82 119.17 88.48 47.74 7 5 "[* **. +- ]"
26 . 2 27 LYS C 2 28 VAL N 2 28 VAL CA 2 28 VAL C -127.40 -79.40 -82.50 -131.02 -60.05 19.35 4 6 "[* -+* * *]"
27 . 2 28 VAL N 2 28 VAL CA 2 28 VAL C 2 29 LYS N 111.90 141.90 117.13 109.09 102.68 9.22 1 1 "[+ . ]"
28 . 2 28 VAL C 2 29 LYS N 2 29 LYS CA 2 29 LYS C -158.60 -77.90 -133.38 -153.64 -118.78 . . 0 "[ . ]"
29 . 2 29 LYS N 2 29 LYS CA 2 29 LYS C 2 30 VAL N 110.90 147.40 159.60 128.65 174.68 27.28 9 6 "[ *-*** +]"
30 . 2 29 LYS C 2 30 VAL N 2 30 VAL CA 2 30 VAL C -121.40 -73.50 -117.84 -113.82 -123.65 7.82 9 3 "[* - . +]"
31 . 2 30 VAL N 2 30 VAL CA 2 30 VAL C 2 31 LEU N 105.40 135.40 148.46 97.49 164.97 29.57 7 8 "[* ****+-*]"
32 . 2 30 VAL C 2 31 LEU N 2 31 LEU CA 2 31 LEU C -140.40 -85.70 -131.95 -105.97 -127.79 7.16 9 1 "[ . +]"
33 . 2 31 LEU N 2 31 LEU CA 2 31 LEU C 2 32 GLY N 99.50 143.10 72.13 66.67 82.82 32.83 5 9 [****+-***]
34 . 2 33 ASP C 2 34 VAL N 2 34 VAL CA 2 34 VAL C -177.70 -95.30 -123.22 -123.75 -124.46 15.88 6 1 "[ .+ ]"
35 . 2 34 VAL N 2 34 VAL CA 2 34 VAL C 2 35 ILE N 135.50 -176.90 161.47 161.33 145.43 . . 0 "[ . ]"
36 . 2 34 VAL C 2 35 ILE N 2 35 ILE CA 2 35 ILE C -141.60 -106.90 -117.74 -113.84 -117.03 . . 0 "[ . ]"
37 . 2 35 ILE N 2 35 ILE CA 2 35 ILE C 2 36 GLU N 104.60 146.50 88.89 96.41 94.50 36.13 9 9 [*-******+]
38 . 2 35 ILE C 2 36 GLU N 2 36 GLU CA 2 36 GLU C -135.80 -95.80 -74.30 -83.49 -97.59 40.88 9 8 "[ -******+]"
39 . 2 36 GLU N 2 36 GLU CA 2 36 GLU C 2 37 VAL N 104.50 164.80 92.65 90.00 87.80 26.27 5 7 "[**-*+** ]"
40 . 2 36 GLU C 2 37 VAL N 2 37 VAL CA 2 37 VAL C -136.20 -86.40 -82.65 -119.48 -68.57 17.83 5 7 "[* -*+** *]"
41 . 2 37 VAL N 2 37 VAL CA 2 37 VAL C 2 38 HIS N 112.20 147.30 91.50 103.45 95.03 39.06 1 8 "[+ -******]"
42 . 2 37 VAL C 2 38 HIS N 2 38 HIS CA 2 38 HIS C -129.30 -98.30 -92.10 -143.55 -60.67 37.63 1 7 "[+* **-* *]"
43 . 2 38 HIS N 2 38 HIS CA 2 38 HIS C 2 39 GLY N 111.70 164.70 92.44 130.47 84.60 47.16 5 6 "[* * +* *-]"
44 . 2 38 HIS C 2 39 GLY N 2 39 GLY CA 2 39 GLY C -143.80 -108.40 -107.45 -179.24 -66.70 41.70 1 7 "[+ *****- ]"
45 . 2 39 GLY N 2 39 GLY CA 2 39 GLY C 2 40 LYS N 98.60 177.70 169.31 -175.04 176.43 9.13 2 2 "[ + . - ]"
46 . 2 39 GLY C 2 40 LYS N 2 40 LYS CA 2 40 LYS C -158.30 -70.80 -166.63 -177.20 -153.56 18.90 7 7 "[** -*+**]"
47 . 2 40 LYS N 2 40 LYS CA 2 40 LYS C 2 41 HIS N 99.20 155.60 139.54 114.59 161.55 5.95 5 1 "[ + ]"
48 . 2 40 LYS C 2 41 HIS N 2 41 HIS CA 2 41 HIS C -167.90 -74.10 -118.81 -134.30 -81.73 . . 0 "[ . ]"
49 . 2 41 HIS N 2 41 HIS CA 2 41 HIS C 2 42 GLU N 99.10 168.90 117.37 111.61 108.85 . . 0 "[ . ]"
50 . 2 41 HIS C 2 42 GLU N 2 42 GLU CA 2 42 GLU C -165.70 -36.40 -97.01 -81.40 -88.27 . . 0 "[ . ]"
51 . 2 42 GLU N 2 42 GLU CA 2 42 GLU C 2 43 GLU N 109.10 166.50 161.40 -58.89 -175.57 134.61 2 2 "[ + -. ]"
52 . 2 42 GLU C 2 43 GLU N 2 43 GLU CA 2 43 GLU C -109.90 -59.20 39.50 -90.17 63.05 122.25 8 8 "[* *-***+*]"
53 . 2 43 GLU N 2 43 GLU CA 2 43 GLU C 2 44 ARG N 103.40 164.90 64.86 86.93 60.22 53.44 5 8 "[*-* +****]"
54 . 2 43 GLU C 2 44 ARG N 2 44 ARG CA 2 44 ARG C -148.30 -60.90 -110.25 -134.83 -86.48 . . 0 "[ . ]"
55 . 2 44 ARG N 2 44 ARG CA 2 44 ARG C 2 45 GLN N 114.20 160.40 90.40 74.64 108.40 39.56 4 9 [***+****-]
56 . 2 44 ARG C 2 45 GLN N 2 45 GLN CA 2 45 GLN C -115.00 -64.90 -55.75 -45.30 -56.59 23.99 6 6 "[ * **+-* ]"
57 . 2 45 GLN N 2 45 GLN CA 2 45 GLN C 2 46 ASP N 103.50 137.80 120.93 106.84 137.30 . . 0 "[ . ]"
58 . 2 47 GLU C 2 48 HIS N 2 48 HIS CA 2 48 HIS C -113.90 -71.80 -112.23 -119.87 -129.24 21.24 1 4 "[+- * * ]"
59 . 2 48 HIS N 2 48 HIS CA 2 48 HIS C 2 49 GLY N -51.60 34.20 49.97 -52.22 94.58 60.38 1 6 "[+* *- ** ]"
60 . 2 49 GLY C 2 50 PHE N 2 50 PHE CA 2 50 PHE C -146.20 -87.50 -108.71 -150.20 -76.99 10.51 5 1 "[ + ]"
61 . 2 50 PHE N 2 50 PHE CA 2 50 PHE C 2 51 ILE N 116.20 170.60 141.93 96.72 167.34 19.48 3 1 "[ + . ]"
62 . 2 50 PHE C 2 51 ILE N 2 51 ILE CA 2 51 ILE C -164.10 -107.50 -117.53 -120.80 -128.78 18.53 3 1 "[ + . ]"
63 . 2 51 ILE N 2 51 ILE CA 2 51 ILE C 2 52 SER N 131.90 161.90 161.31 99.27 -161.61 36.49 1 4 "[+ ** -]"
64 . 2 51 ILE C 2 52 SER N 2 52 SER CA 2 52 SER C -162.20 -98.10 -134.11 -123.16 -138.39 5.06 4 1 "[ +. ]"
65 . 2 52 SER N 2 52 SER CA 2 52 SER C 2 53 ARG N 124.30 179.20 104.32 83.37 143.74 40.93 9 8 "[ ****-**+]"
66 . 2 52 SER C 2 53 ARG N 2 53 ARG CA 2 53 ARG C -174.50 -114.10 -110.18 -108.64 -111.34 42.13 9 4 "[ *- * +]"
67 . 2 53 ARG N 2 53 ARG CA 2 53 ARG C 2 54 GLU N 139.30 176.40 106.34 102.47 88.41 63.58 3 7 "[*-+*** * ]"
68 . 2 53 ARG C 2 54 GLU N 2 54 GLU CA 2 54 GLU C -157.90 -107.20 -99.05 -144.27 -72.66 34.54 3 6 "[**+-. ** ]"
69 . 2 54 GLU N 2 54 GLU CA 2 54 GLU C 2 55 PHE N 103.30 168.70 127.99 121.06 117.08 . . 0 "[ . ]"
70 . 2 54 GLU C 2 55 PHE N 2 55 PHE CA 2 55 PHE C -158.30 -78.60 -118.06 -161.15 -84.12 2.85 9 0 "[ . ]"
71 . 2 55 PHE N 2 55 PHE CA 2 55 PHE C 2 56 HIS N 116.90 154.10 158.05 141.11 169.24 15.14 3 5 "[ +*- **]"
72 . 2 55 PHE C 2 56 HIS N 2 56 HIS CA 2 56 HIS C -146.20 -113.20 -143.27 -163.64 -130.87 17.44 8 2 "[ . -+ ]"
73 . 2 56 HIS N 2 56 HIS CA 2 56 HIS C 2 57 ARG N 98.50 159.90 75.83 156.27 81.55 37.63 3 8 "[* +-*****]"
74 . 2 56 HIS C 2 57 ARG N 2 57 ARG CA 2 57 ARG C -140.10 -91.90 -85.69 -155.56 -68.14 23.76 9 8 "[***-** *+]"
75 . 2 57 ARG N 2 57 ARG CA 2 57 ARG C 2 58 LYS N 88.50 133.20 91.45 93.92 85.37 15.38 1 3 "[+ -.* ]"
76 . 2 57 ARG C 2 58 LYS N 2 58 LYS CA 2 58 LYS C -119.80 -64.70 -81.39 -90.37 -93.85 . . 0 "[ . ]"
77 . 2 58 LYS N 2 58 LYS CA 2 58 LYS C 2 59 TYR N 83.10 152.60 85.79 76.53 107.02 6.57 9 3 "[ * - +]"
78 . 2 58 LYS C 2 59 TYR N 2 59 TYR CA 2 59 TYR C -171.60 -74.20 -82.22 -97.99 -121.76 14.62 9 2 "[ - +]"
79 . 2 59 TYR N 2 59 TYR CA 2 59 TYR C 2 60 ARG N 82.80 -168.40 119.32 104.91 160.78 . . 0 "[ . ]"
80 . 2 59 TYR C 2 60 ARG N 2 60 ARG CA 2 60 ARG C -136.10 -66.60 -86.24 -78.60 -86.95 . . 0 "[ . ]"
81 . 2 60 ARG N 2 60 ARG CA 2 60 ARG C 2 61 ILE N 76.60 149.30 136.85 113.66 159.58 10.28 1 1 "[+ . ]"
82 . 2 60 ARG C 2 61 ILE N 2 61 ILE CA 2 61 ILE C -115.90 -55.20 -85.75 -109.95 -71.30 . . 0 "[ . ]"
83 . 2 61 ILE N 2 61 ILE CA 2 61 ILE C 2 62 PRO N 97.00 147.30 126.42 115.36 136.54 . . 0 "[ . ]"
84 . 2 62 PRO C 2 63 ALA N 2 63 ALA CA 2 63 ALA C -84.80 -27.50 -63.02 -77.41 -58.10 . . 0 "[ . ]"
85 . 2 63 ALA N 2 63 ALA CA 2 63 ALA C 2 64 ASP N -63.10 5.20 -13.49 -12.01 -13.68 2.37 4 0 "[ . ]"
86 . 2 64 ASP C 2 65 VAL N 2 65 VAL CA 2 65 VAL C -155.20 -77.50 -115.28 -123.33 -125.33 . . 0 "[ . ]"
87 . 2 65 VAL N 2 65 VAL CA 2 65 VAL C 2 66 ASP N 98.30 171.90 135.91 136.39 134.87 . . 0 "[ . ]"
88 . 2 65 VAL C 2 66 ASP N 2 66 ASP CA 2 66 ASP C -133.30 -37.70 -95.29 -132.04 -83.94 . . 0 "[ . ]"
89 . 2 66 ASP N 2 66 ASP CA 2 66 ASP C 2 67 PRO N 77.70 173.90 121.11 109.81 154.56 . . 0 "[ . ]"
90 . 2 67 PRO N 2 67 PRO CA 2 67 PRO C 2 68 LEU N -45.20 -15.20 -23.92 -14.37 -31.47 20.41 2 2 "[ +- . ]"
91 . 2 68 LEU C 2 69 THR N 2 69 THR CA 2 69 THR C -130.80 -77.10 -102.59 -123.19 -72.45 4.65 8 0 "[ . ]"
92 . 2 69 THR N 2 69 THR CA 2 69 THR C 2 70 ILE N -25.90 21.40 1.50 2.18 -2.43 . . 0 "[ . ]"
93 . 2 69 THR C 2 70 ILE N 2 70 ILE CA 2 70 ILE C -128.40 -42.50 -91.36 -101.63 -73.81 . . 0 "[ . ]"
94 . 2 70 ILE N 2 70 ILE CA 2 70 ILE C 2 71 THR N 108.60 165.60 129.27 146.14 127.75 . . 0 "[ . ]"
95 . 2 70 ILE C 2 71 THR N 2 71 THR CA 2 71 THR C -138.20 -99.10 -124.09 -139.25 -107.77 1.05 3 0 "[ . ]"
96 . 2 71 THR N 2 71 THR CA 2 71 THR C 2 72 SER N 141.30 -179.80 132.15 91.35 172.77 49.95 2 6 "[-+**.* * ]"
97 . 2 71 THR C 2 72 SER N 2 72 SER CA 2 72 SER C -174.40 -84.80 -97.67 -66.58 -81.69 19.54 2 2 "[ +- . ]"
98 . 2 72 SER N 2 72 SER CA 2 72 SER C 2 73 SER N 132.30 172.20 150.52 130.52 163.15 1.78 8 0 "[ . ]"
99 . 2 72 SER C 2 73 SER N 2 73 SER CA 2 73 SER C -175.50 -95.70 -153.52 -171.65 -141.84 . . 0 "[ . ]"
100 . 2 73 SER N 2 73 SER CA 2 73 SER C 2 74 LEU N 91.00 170.20 138.67 132.39 127.00 . . 0 "[ . ]"
101 . 2 73 SER C 2 74 LEU N 2 74 LEU CA 2 74 LEU C -148.40 -68.50 -114.70 -135.43 -98.90 . . 0 "[ . ]"
102 . 2 74 LEU N 2 74 LEU CA 2 74 LEU C 2 75 SER N 88.00 152.40 129.02 134.17 129.17 0.35 3 0 "[ . ]"
103 . 2 74 LEU C 2 75 SER N 2 75 SER CA 2 75 SER C -148.30 -32.00 -89.63 -81.32 -81.33 . . 0 "[ . ]"
104 . 2 75 SER N 2 75 SER CA 2 75 SER C 2 76 SER N 147.70 -178.00 167.50 174.32 167.29 4.55 4 0 "[ . ]"
105 . 2 75 SER C 2 76 SER N 2 76 SER CA 2 76 SER C -77.50 -45.70 -71.38 -68.41 -69.27 . . 0 "[ . ]"
106 . 2 76 SER N 2 76 SER CA 2 76 SER C 2 77 ASP N -50.40 -8.50 -15.44 -17.61 -18.74 . . 0 "[ . ]"
107 . 2 76 SER C 2 77 ASP N 2 77 ASP CA 2 77 ASP C -119.00 -57.70 -87.67 -97.51 -81.68 . . 0 "[ . ]"
108 . 2 77 ASP N 2 77 ASP CA 2 77 ASP C 2 78 GLY N -36.30 19.80 -7.97 -1.84 -5.01 . . 0 "[ . ]"
109 . 2 78 GLY C 2 79 VAL N 2 79 VAL CA 2 79 VAL C -124.60 -67.70 -98.64 -99.80 -115.60 . . 0 "[ . ]"
110 . 2 79 VAL N 2 79 VAL CA 2 79 VAL C 2 80 LEU N 102.30 147.50 104.33 116.15 113.87 22.80 4 2 "[ +- ]"
111 . 2 79 VAL C 2 80 LEU N 2 80 LEU CA 2 80 LEU C -132.70 -76.10 -91.63 -78.93 -87.57 . . 0 "[ . ]"
112 . 2 80 LEU N 2 80 LEU CA 2 80 LEU C 2 81 THR N 101.00 141.20 120.83 121.16 117.72 . . 0 "[ . ]"
113 . 2 80 LEU C 2 81 THR N 2 81 THR CA 2 81 THR C -142.40 -82.30 -120.06 -133.67 -96.48 . . 0 "[ . ]"
114 . 2 81 THR N 2 81 THR CA 2 81 THR C 2 82 VAL N 110.40 140.40 114.86 96.05 126.89 14.35 2 1 "[ + . ]"
115 . 2 81 THR C 2 82 VAL N 2 82 VAL CA 2 82 VAL C -147.40 -81.20 -112.01 -91.15 -103.11 . . 0 "[ . ]"
116 . 2 82 VAL N 2 82 VAL CA 2 82 VAL C 2 83 ASP N 114.40 144.40 114.76 118.50 113.40 14.66 6 2 "[ -+ ]"
117 . 2 82 VAL C 2 83 ASP N 2 83 ASP CA 2 83 ASP C -169.60 -104.20 -145.92 -162.07 -134.87 . . 0 "[ . ]"
118 . 2 83 ASP N 2 83 ASP CA 2 83 ASP C 2 84 GLY N 140.40 -174.30 134.11 130.12 123.38 24.93 6 5 "[* .+-**]"
119 . 1 11 ARG C 1 12 PHE N 1 12 PHE CA 1 12 PHE C -165.40 -67.70 -120.95 -172.50 -96.46 7.10 9 1 "[ . +]"
120 . 1 12 PHE C 1 13 SER N 1 13 SER CA 1 13 SER C -142.50 -80.30 -135.96 -146.29 -112.53 3.79 3 0 "[ . ]"
121 . 1 12 PHE N 1 12 PHE CA 1 12 PHE C 1 13 SER N 61.10 172.40 129.42 146.96 131.62 . . 0 "[ . ]"
122 . 1 13 SER C 1 14 VAL N 1 14 VAL CA 1 14 VAL C -167.40 -101.30 -127.84 -133.86 -139.95 2.43 4 0 "[ . ]"
123 . 1 13 SER N 1 13 SER CA 1 13 SER C 1 14 VAL N 118.60 160.40 147.78 154.04 147.92 12.48 9 1 "[ . +]"
124 . 1 14 VAL C 1 15 ASN N 1 15 ASN CA 1 15 ASN C -149.90 -87.10 -100.85 -137.32 -84.62 2.48 4 0 "[ . ]"
125 . 1 14 VAL N 1 14 VAL CA 1 14 VAL C 1 15 ASN N 117.20 -179.00 122.00 144.74 136.36 18.99 5 4 "[ *+* - ]"
126 . 1 15 ASN C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -165.50 -101.30 -118.19 -118.11 -130.37 23.47 4 1 "[ +. ]"
127 . 1 15 ASN N 1 15 ASN CA 1 15 ASN C 1 16 LEU N 110.60 159.60 113.93 85.63 147.09 24.97 4 3 "[ * +. - ]"
128 . 1 16 LEU C 1 17 ASP N 1 17 ASP CA 1 17 ASP C -97.50 -52.60 -91.95 -102.87 -82.02 5.37 3 1 "[ + . ]"
129 . 1 16 LEU N 1 16 LEU CA 1 16 LEU C 1 17 ASP N 102.70 169.10 146.66 150.80 146.35 . . 0 "[ . ]"
130 . 1 17 ASP N 1 17 ASP CA 1 17 ASP C 1 18 VAL N 115.00 150.20 113.53 113.72 113.26 10.53 8 2 "[ - . + ]"
131 . 1 21 PHE N 1 21 PHE CA 1 21 PHE C 1 22 SER N 90.20 -179.30 160.49 145.25 -179.18 0.12 1 0 "[ . ]"
132 . 1 21 PHE C 1 22 SER N 1 22 SER CA 1 22 SER C -132.20 -46.30 -106.43 -109.90 -124.66 . . 0 "[ . ]"
133 . 1 22 SER N 1 22 SER CA 1 22 SER C 1 23 PRO N 90.80 173.70 151.02 137.53 166.92 . . 0 "[ . ]"
134 . 1 25 GLU C 1 26 LEU N 1 26 LEU CA 1 26 LEU C -166.10 -92.70 -98.61 -136.33 -72.44 20.26 7 2 "[ -. + ]"
135 . 1 26 LEU C 1 27 LYS N 1 27 LYS CA 1 27 LYS C -148.40 -95.40 -120.00 -152.98 -95.19 4.58 9 0 "[ . ]"
136 . 1 26 LEU N 1 26 LEU CA 1 26 LEU C 1 27 LYS N 125.50 178.10 123.67 112.72 103.92 28.76 1 5 "[+-* .* * ]"
137 . 1 27 LYS C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -127.40 -79.40 -82.55 -131.10 -60.27 19.13 4 6 "[* -+* * *]"
138 . 1 27 LYS N 1 27 LYS CA 1 27 LYS C 1 28 VAL N 93.20 154.50 91.82 119.22 88.45 47.65 7 5 "[* **. +- ]"
139 . 1 28 VAL C 1 29 LYS N 1 29 LYS CA 1 29 LYS C -158.60 -77.90 -133.37 -153.68 -118.83 . . 0 "[ . ]"
140 . 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 LYS N 111.90 141.90 117.16 109.10 102.68 9.22 1 1 "[+ . ]"
141 . 1 29 LYS C 1 30 VAL N 1 30 VAL CA 1 30 VAL C -121.40 -73.50 -117.88 -113.77 -123.71 7.79 9 3 "[* - . +]"
142 . 1 30 VAL N 1 30 VAL CA 1 30 VAL C 1 31 LEU N 105.40 135.40 148.45 97.47 164.99 29.59 7 8 "[* ****+-*]"
143 . 1 29 LYS N 1 29 LYS CA 1 29 LYS C 1 30 VAL N 110.90 147.40 159.62 128.77 174.69 27.29 9 6 "[ *-*** +]"
144 . 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 GLY N 99.50 143.10 72.09 66.45 82.82 33.05 5 9 [****+-***]
145 . 1 33 ASP C 1 34 VAL N 1 34 VAL CA 1 34 VAL C -177.70 -95.30 -123.18 -123.11 -123.77 15.87 6 1 "[ .+ ]"
146 . 1 34 VAL C 1 35 ILE N 1 35 ILE CA 1 35 ILE C -141.60 -106.90 -117.69 -113.78 -116.97 . . 0 "[ . ]"
147 . 1 34 VAL N 1 34 VAL CA 1 34 VAL C 1 35 ILE N 135.50 -176.90 161.44 161.27 145.39 . . 0 "[ . ]"
148 . 1 35 ILE C 1 36 GLU N 1 36 GLU CA 1 36 GLU C -135.80 -95.80 -74.30 -83.47 -97.64 40.85 9 8 "[ -******+]"
149 . 1 35 ILE N 1 35 ILE CA 1 35 ILE C 1 36 GLU N 104.60 146.50 88.83 96.31 94.50 36.09 9 9 [*-******+]
150 . 1 36 GLU C 1 37 VAL N 1 37 VAL CA 1 37 VAL C -136.20 -86.40 -82.66 -119.43 -68.54 17.86 5 7 "[* -*+** *]"
151 . 1 36 GLU N 1 36 GLU CA 1 36 GLU C 1 37 VAL N 104.50 164.80 92.69 90.15 87.83 26.21 5 7 "[**-*+** ]"
152 . 1 37 VAL C 1 38 HIS N 1 38 HIS CA 1 38 HIS C -129.30 -98.30 -92.18 -143.62 -60.78 37.52 1 7 "[+* **-* *]"
153 . 1 37 VAL N 1 37 VAL CA 1 37 VAL C 1 38 HIS N 112.20 147.30 91.51 103.41 95.06 39.02 1 8 "[+ -******]"
154 . 1 38 HIS C 1 39 GLY N 1 39 GLY CA 1 39 GLY C -143.80 -108.40 -107.46 -179.15 -66.87 41.53 1 7 "[+ *****- ]"
155 . 1 38 HIS N 1 38 HIS CA 1 38 HIS C 1 39 GLY N 111.70 164.70 92.49 130.63 84.65 47.12 3 6 "[* + ** *-]"
156 . 1 39 GLY C 1 40 LYS N 1 40 LYS CA 1 40 LYS C -158.30 -70.80 -166.64 -177.17 -153.58 18.87 7 7 "[** -*+**]"
157 . 1 39 GLY N 1 39 GLY CA 1 39 GLY C 1 40 LYS N 98.60 177.70 169.31 -175.10 176.38 9.23 2 2 "[ + . - ]"
158 . 1 40 LYS C 1 41 HIS N 1 41 HIS CA 1 41 HIS C -167.90 -74.10 -118.84 -134.36 -81.71 . . 0 "[ . ]"
159 . 1 40 LYS N 1 40 LYS CA 1 40 LYS C 1 41 HIS N 99.20 155.60 139.56 114.56 161.57 5.97 5 1 "[ + ]"
160 . 1 41 HIS C 1 42 GLU N 1 42 GLU CA 1 42 GLU C -165.70 -36.40 -96.97 -81.45 -88.13 . . 0 "[ . ]"
161 . 1 41 HIS N 1 41 HIS CA 1 41 HIS C 1 42 GLU N 99.10 168.90 117.36 111.49 108.89 . . 0 "[ . ]"
162 . 1 42 GLU C 1 43 GLU N 1 43 GLU CA 1 43 GLU C -109.90 -59.20 39.49 -90.12 63.27 122.47 8 8 "[* *-***+*]"
163 . 1 42 GLU N 1 42 GLU CA 1 42 GLU C 1 43 GLU N 109.10 166.50 161.42 -59.06 -175.52 134.44 2 2 "[ + -. ]"
164 . 1 43 GLU C 1 44 ARG N 1 44 ARG CA 1 44 ARG C -148.30 -60.90 -110.27 -134.90 -86.40 . . 0 "[ . ]"
165 . 1 43 GLU N 1 43 GLU CA 1 43 GLU C 1 44 ARG N 103.40 164.90 64.85 86.79 60.27 53.55 5 8 "[*-* +****]"
166 . 1 44 ARG C 1 45 GLN N 1 45 GLN CA 1 45 GLN C -115.00 -64.90 -55.81 -45.48 -56.51 23.85 6 6 "[ * **+-* ]"
167 . 1 44 ARG N 1 44 ARG CA 1 44 ARG C 1 45 GLN N 114.20 160.40 90.47 74.77 108.49 39.43 4 9 [***+****-]
168 . 1 45 GLN N 1 45 GLN CA 1 45 GLN C 1 46 ASP N 103.50 137.80 120.96 106.73 137.30 . . 0 "[ . ]"
169 . 1 47 GLU C 1 48 HIS N 1 48 HIS CA 1 48 HIS C -113.90 -71.80 -112.25 -119.93 -129.21 21.24 1 4 "[+- * * ]"
170 . 1 48 HIS N 1 48 HIS CA 1 48 HIS C 1 49 GLY N -51.60 34.20 50.06 -52.19 94.73 60.53 1 6 "[+* *- ** ]"
171 . 1 49 GLY C 1 50 PHE N 1 50 PHE CA 1 50 PHE C -146.20 -87.50 -108.72 -150.22 -76.84 10.66 5 1 "[ + ]"
172 . 1 50 PHE C 1 51 ILE N 1 51 ILE CA 1 51 ILE C -164.10 -107.50 -117.49 -120.69 -128.89 18.50 3 1 "[ + . ]"
173 . 1 50 PHE N 1 50 PHE CA 1 50 PHE C 1 51 ILE N 116.20 170.60 141.86 96.66 167.38 19.54 3 1 "[ + . ]"
174 . 1 51 ILE C 1 52 SER N 1 52 SER CA 1 52 SER C -162.20 -98.10 -134.12 -123.22 -138.44 5.12 4 1 "[ +. ]"
175 . 1 51 ILE N 1 51 ILE CA 1 51 ILE C 1 52 SER N 131.90 161.90 161.31 99.24 -161.56 36.54 1 4 "[+ ** -]"
176 . 1 52 SER C 1 53 ARG N 1 53 ARG CA 1 53 ARG C -174.50 -114.10 -110.20 -108.72 -111.41 41.96 9 4 "[ *- * +]"
177 . 1 52 SER N 1 52 SER CA 1 52 SER C 1 53 ARG N 124.30 179.20 104.33 83.34 143.81 40.96 9 8 "[ ****-**+]"
178 . 1 53 ARG C 1 54 GLU N 1 54 GLU CA 1 54 GLU C -157.90 -107.20 -99.05 -144.23 -72.54 34.66 3 6 "[**+-. ** ]"
179 . 1 53 ARG N 1 53 ARG CA 1 53 ARG C 1 54 GLU N 139.30 176.40 106.36 102.49 88.40 63.53 3 7 "[*-+*** * ]"
180 . 1 54 GLU C 1 55 PHE N 1 55 PHE CA 1 55 PHE C -158.30 -78.60 -118.07 -161.24 -84.18 2.94 9 0 "[ . ]"
181 . 1 54 GLU N 1 54 GLU CA 1 54 GLU C 1 55 PHE N 103.30 168.70 128.01 120.97 117.29 . . 0 "[ . ]"
182 . 1 55 PHE N 1 55 PHE CA 1 55 PHE C 1 56 HIS N 116.90 154.10 158.06 141.16 169.29 15.19 3 5 "[ +*- **]"
183 . 1 56 HIS N 1 56 HIS CA 1 56 HIS C 1 57 ARG N 98.50 159.90 75.85 156.39 81.57 37.60 3 8 "[* +-*****]"
184 . 1 56 HIS C 1 57 ARG N 1 57 ARG CA 1 57 ARG C -140.10 -91.90 -85.73 -155.64 -68.15 23.75 9 8 "[***-** *+]"
185 . 1 57 ARG N 1 57 ARG CA 1 57 ARG C 1 58 LYS N 88.50 133.20 91.45 93.81 85.20 15.30 1 3 "[+ -.* ]"
186 . 1 58 LYS N 1 58 LYS CA 1 58 LYS C 1 59 TYR N 83.10 152.60 85.77 76.60 106.89 6.50 9 3 "[ - * +]"
187 . 1 58 LYS C 1 59 TYR N 1 59 TYR CA 1 59 TYR C -171.60 -74.20 -82.25 -97.97 -121.83 14.71 9 2 "[ - +]"
188 . 1 59 TYR C 1 60 ARG N 1 60 ARG CA 1 60 ARG C -136.10 -66.60 -86.27 -78.78 -86.90 . . 0 "[ . ]"
189 . 1 59 TYR N 1 59 TYR CA 1 59 TYR C 1 60 ARG N 82.80 -168.40 119.35 104.98 160.79 . . 0 "[ . ]"
190 . 1 60 ARG C 1 61 ILE N 1 61 ILE CA 1 61 ILE C -115.90 -55.20 -85.68 -109.95 -71.15 . . 0 "[ . ]"
191 . 1 61 ILE N 1 61 ILE CA 1 61 ILE C 1 62 PRO N 97.00 147.30 126.39 115.13 136.56 . . 0 "[ . ]"
192 . 1 60 ARG N 1 60 ARG CA 1 60 ARG C 1 61 ILE N 76.60 149.30 136.80 113.58 159.51 10.21 1 1 "[+ . ]"
193 . 1 62 PRO C 1 63 ALA N 1 63 ALA CA 1 63 ALA C -84.80 -27.50 -62.98 -77.41 -58.00 . . 0 "[ . ]"
194 . 1 63 ALA N 1 63 ALA CA 1 63 ALA C 1 64 ASP N -63.10 5.20 -13.52 -11.95 -13.82 2.44 4 0 "[ . ]"
195 . 1 64 ASP C 1 65 VAL N 1 65 VAL CA 1 65 VAL C -155.20 -77.50 -115.31 -123.35 -125.37 . . 0 "[ . ]"
196 . 1 65 VAL C 1 66 ASP N 1 66 ASP CA 1 66 ASP C -133.30 -37.70 -95.30 -132.09 -84.02 . . 0 "[ . ]"
197 . 1 65 VAL N 1 65 VAL CA 1 65 VAL C 1 66 ASP N 98.30 171.90 135.96 136.42 134.84 . . 0 "[ . ]"
198 . 1 66 ASP N 1 66 ASP CA 1 66 ASP C 1 67 PRO N 77.70 173.90 121.08 109.84 154.49 . . 0 "[ . ]"
199 . 1 67 PRO N 1 67 PRO CA 1 67 PRO C 1 68 LEU N -45.20 -15.20 -23.89 -14.23 -31.52 20.47 2 2 "[ +- . ]"
200 . 1 68 LEU C 1 69 THR N 1 69 THR CA 1 69 THR C -130.80 -77.10 -102.59 -123.38 -72.47 4.63 8 0 "[ . ]"
201 . 1 69 THR C 1 70 ILE N 1 70 ILE CA 1 70 ILE C -128.40 -42.50 -91.33 -101.58 -73.81 . . 0 "[ . ]"
202 . 1 69 THR N 1 69 THR CA 1 69 THR C 1 70 ILE N -25.90 21.40 1.51 2.17 -2.20 . . 0 "[ . ]"
203 . 1 70 ILE C 1 71 THR N 1 71 THR CA 1 71 THR C -138.20 -99.10 -124.08 -139.38 -107.71 1.18 3 0 "[ . ]"
204 . 1 70 ILE N 1 70 ILE CA 1 70 ILE C 1 71 THR N 108.60 165.60 129.29 146.23 127.68 . . 0 "[ . ]"
205 . 1 71 THR C 1 72 SER N 1 72 SER CA 1 72 SER C -174.40 -84.80 -97.67 -66.56 -81.74 19.64 2 2 "[ +- . ]"
206 . 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 SER N 141.30 -179.80 132.15 91.29 172.80 50.01 2 6 "[-+**.* * ]"
207 . 1 72 SER C 1 73 SER N 1 73 SER CA 1 73 SER C -175.50 -95.70 -153.54 -171.67 -141.75 . . 0 "[ . ]"
208 . 1 72 SER N 1 72 SER CA 1 72 SER C 1 73 SER N 132.30 172.20 150.49 130.41 163.04 1.89 8 0 "[ . ]"
209 . 1 73 SER C 1 74 LEU N 1 74 LEU CA 1 74 LEU C -148.40 -68.50 -114.73 -135.47 -98.99 . . 0 "[ . ]"
210 . 1 73 SER N 1 73 SER CA 1 73 SER C 1 74 LEU N 91.00 170.20 138.72 132.49 127.05 . . 0 "[ . ]"
211 . 1 74 LEU C 1 75 SER N 1 75 SER CA 1 75 SER C -148.30 -32.00 -89.65 -81.24 -81.56 . . 0 "[ . ]"
212 . 1 75 SER N 1 75 SER CA 1 75 SER C 1 76 SER N 147.70 -178.00 167.44 174.19 167.25 4.65 4 0 "[ . ]"
213 . 1 74 LEU N 1 74 LEU CA 1 74 LEU C 1 75 SER N 88.00 152.40 129.04 134.14 129.27 0.38 3 0 "[ . ]"
214 . 1 76 SER N 1 76 SER CA 1 76 SER C 1 77 ASP N -50.40 -8.50 -15.45 -17.77 -18.97 . . 0 "[ . ]"
215 . 1 76 SER C 1 77 ASP N 1 77 ASP CA 1 77 ASP C -119.00 -57.70 -87.67 -97.71 -81.62 . . 0 "[ . ]"
216 . 1 77 ASP N 1 77 ASP CA 1 77 ASP C 1 78 GLY N -36.30 19.80 -8.00 -1.86 -5.07 . . 0 "[ . ]"
217 . 1 78 GLY C 1 79 VAL N 1 79 VAL CA 1 79 VAL C -124.60 -67.70 -98.63 -99.70 -115.53 . . 0 "[ . ]"
218 . 1 79 VAL C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -132.70 -76.10 -91.67 -78.92 -87.68 . . 0 "[ . ]"
219 . 1 79 VAL N 1 79 VAL CA 1 79 VAL C 1 80 LEU N 102.30 147.50 104.36 116.04 113.98 22.74 4 2 "[ +- ]"
220 . 1 80 LEU C 1 81 THR N 1 81 THR CA 1 81 THR C -142.40 -82.30 -120.07 -133.52 -96.54 . . 0 "[ . ]"
221 . 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 THR N 101.00 141.20 120.81 120.96 117.79 . . 0 "[ . ]"
222 . 1 81 THR C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -147.40 -81.20 -112.00 -91.22 -103.25 . . 0 "[ . ]"
223 . 1 81 THR N 1 81 THR CA 1 81 THR C 1 82 VAL N 110.40 140.40 114.90 96.08 126.90 14.32 2 1 "[ + . ]"
224 . 1 82 VAL C 1 83 ASP N 1 83 ASP CA 1 83 ASP C -169.60 -104.20 -145.90 -162.08 -134.86 . . 0 "[ . ]"
225 . 1 82 VAL N 1 82 VAL CA 1 82 VAL C 1 83 ASP N 114.40 144.40 114.75 118.41 113.40 14.75 6 2 "[ -+ ]"
226 . 1 83 ASP N 1 83 ASP CA 1 83 ASP C 1 84 GLY N 140.40 -174.30 134.14 130.12 123.39 24.96 6 5 "[* .+-**]"
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