NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
601968 |
2n82   |
25831 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2n82
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 149
_TA_constraint_stats_list.Viol_count 761
_TA_constraint_stats_list.Viol_total 159328.97
_TA_constraint_stats_list.Viol_max 76.99
_TA_constraint_stats_list.Viol_rms 8.86
_TA_constraint_stats_list.Viol_average_all_restraints 2.67
_TA_constraint_stats_list.Viol_average_violations_only 10.47
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * ID of the restraint list.
* 3 * Number of restraints in list.
* 4 * Number of violated restraints (each model violation is used).
* 5 * Sum of violations in degrees.
* 6 * Maximum violation of a restraint without averaging in any way.
* 7 * Rms of violations over all restraints.
* 8 * Average violation over all restraints.
* 9 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
Threshold for reporting violations (degrees) in the last columns of the next table.
* 10 * This tag.
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
* 2 * Torsion angle name where available.
* 3 * First atom's:
* 4 * Chain identifier (can be absent if none defined)
* 5 * Residue number
* 6 * Residue name
* 7 * Name of (pseudo-)atom
* 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18.
* 19 * Lower bound (degrees)
* 20 * Upper bound (degrees)
* 21 * Average angle in ensemble of models
* 22 * Minimum angle in ensemble of models (counter clockwise from range)
* 23 * Maximum angle in ensemble of models (clockwise from range)
* 24 * Maximum violation (without any averaging)
* 25 * Model number with the maximum violation
* 26 * Number of models with a violation above cutoff
* 27 * List of models with a violation above cutoff. See description above.
* 28 * Administrative tag
* 29 * Administrative tag
;
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 PHI 2 12 PRO C 2 13 LYS N 2 13 LYS CA 2 13 LYS C -161.30 -101.30 -133.76 -145.17 -118.92 . . 0 "[ . 1 . 2]"
2 PSI 2 13 LYS N 2 13 LYS CA 2 13 LYS C 2 14 ARG N 103.60 163.60 142.94 120.28 164.14 0.54 1 0 "[ . 1 . 2]"
3 PHI 2 13 LYS C 2 14 ARG N 2 14 ARG CA 2 14 ARG C -154.50 -94.50 -103.73 -124.33 -128.10 21.67 12 4 "[ . 1-+ ** 2]"
4 PSI 2 14 ARG N 2 14 ARG CA 2 14 ARG C 2 15 LEU N 102.90 162.90 145.26 137.21 154.05 . . 0 "[ . 1 . 2]"
5 PHI 2 14 ARG C 2 15 LEU N 2 15 LEU CA 2 15 LEU C -148.30 -88.30 -136.40 -144.06 -117.39 . . 0 "[ . 1 . 2]"
6 PSI 2 15 LEU N 2 15 LEU CA 2 15 LEU C 2 16 HIS N 101.20 161.20 128.69 101.05 155.27 0.15 14 0 "[ . 1 . 2]"
7 PHI 2 15 LEU C 2 16 HIS N 2 16 HIS CA 2 16 HIS C -145.40 -85.40 -90.84 -72.63 -74.84 27.04 7 10 "[** * +*-1* **. *2]"
8 PSI 2 16 HIS N 2 16 HIS CA 2 16 HIS C 2 17 VAL N 97.20 157.20 148.57 147.10 141.95 . . 0 "[ . 1 . 2]"
9 PHI 2 16 HIS C 2 17 VAL N 2 17 VAL CA 2 17 VAL C -148.80 -88.80 -136.59 -139.55 -132.01 . . 0 "[ . 1 . 2]"
10 PSI 2 17 VAL N 2 17 VAL CA 2 17 VAL C 2 18 SER N 109.00 169.00 146.83 138.91 122.07 . . 0 "[ . 1 . 2]"
11 PHI 2 27 PRO C 2 28 ASP N 2 28 ASP CA 2 28 ASP C -91.20 -31.20 -65.09 -71.74 -60.37 . . 0 "[ . 1 . 2]"
12 PSI 2 28 ASP N 2 28 ASP CA 2 28 ASP C 2 29 LEU N -67.50 -7.50 -38.88 -43.16 -30.53 . . 0 "[ . 1 . 2]"
13 PHI 2 28 ASP C 2 29 LEU N 2 29 LEU CA 2 29 LEU C -95.80 -35.80 -68.04 -71.25 -64.35 . . 0 "[ . 1 . 2]"
14 PSI 2 29 LEU N 2 29 LEU CA 2 29 LEU C 2 30 ARG N -70.80 -10.80 -56.35 -57.59 -60.81 . . 0 "[ . 1 . 2]"
15 PHI 2 29 LEU C 2 30 ARG N 2 30 ARG CA 2 30 ARG C -91.70 -31.70 -63.13 -66.63 -59.26 . . 0 "[ . 1 . 2]"
16 PSI 2 30 ARG N 2 30 ARG CA 2 30 ARG C 2 31 GLN N -71.30 -11.30 -26.58 -31.20 -21.98 . . 0 "[ . 1 . 2]"
17 PHI 2 30 ARG C 2 31 GLN N 2 31 GLN CA 2 31 GLN C -93.90 -33.90 -64.66 -69.70 -55.02 . . 0 "[ . 1 . 2]"
18 PSI 2 31 GLN N 2 31 GLN CA 2 31 GLN C 2 32 MET N -73.10 -13.10 -40.33 -47.22 -32.73 . . 0 "[ . 1 . 2]"
19 PHI 2 31 GLN C 2 32 MET N 2 32 MET CA 2 32 MET C -96.60 -36.60 -72.31 -71.47 -73.20 . . 0 "[ . 1 . 2]"
20 PSI 2 32 MET N 2 32 MET CA 2 32 MET C 2 33 PHE N -75.40 -15.40 -40.84 -42.76 -44.54 . . 0 "[ . 1 . 2]"
21 PHI 2 32 MET C 2 33 PHE N 2 33 PHE CA 2 33 PHE C -99.10 -39.10 -86.13 -93.62 -77.13 . . 0 "[ . 1 . 2]"
22 PSI 2 33 PHE N 2 33 PHE CA 2 33 PHE C 2 34 GLY N -69.70 -9.70 -33.04 -35.69 -30.22 . . 0 "[ . 1 . 2]"
23 PHI 2 33 PHE C 2 34 GLY N 2 34 GLY CA 2 34 GLY C -95.40 -35.40 -68.43 -72.81 -63.98 . . 0 "[ . 1 . 2]"
24 PSI 2 34 GLY N 2 34 GLY CA 2 34 GLY C 2 35 GLN N -62.60 -2.60 -13.22 -19.46 -2.86 . . 0 "[ . 1 . 2]"
25 PHI 2 34 GLY C 2 35 GLN N 2 35 GLN CA 2 35 GLN C -102.60 -42.60 -64.79 -67.55 -62.31 . . 0 "[ . 1 . 2]"
26 PSI 2 35 GLN N 2 35 GLN CA 2 35 GLN C 2 36 PHE N -55.10 4.90 -13.38 -11.23 -12.43 . . 0 "[ . 1 . 2]"
27 PHI 2 39 ILE C 2 40 LEU N 2 40 LEU CA 2 40 LEU C -137.30 -77.30 -108.92 -116.08 -85.16 . . 0 "[ . 1 . 2]"
28 PSI 2 40 LEU N 2 40 LEU CA 2 40 LEU C 2 41 ASP N -45.60 14.40 -28.73 -34.89 -24.57 . . 0 "[ . 1 . 2]"
29 PHI 2 40 LEU C 2 41 ASP N 2 41 ASP CA 2 41 ASP C 178.90 -121.10 -160.29 -162.77 -158.39 . . 0 "[ . 1 . 2]"
30 PSI 2 41 ASP N 2 41 ASP CA 2 41 ASP C 2 42 VAL N 122.90 -177.10 160.33 165.95 163.05 . . 0 "[ . 1 . 2]"
31 PHI 2 42 VAL C 2 43 GLU N 2 43 GLU CA 2 43 GLU C -164.10 -104.10 -142.87 -149.96 -134.54 . . 0 "[ . 1 . 2]"
32 PSI 2 43 GLU N 2 43 GLU CA 2 43 GLU C 2 44 ILE N 95.90 155.90 146.70 148.93 147.95 0.84 13 0 "[ . 1 . 2]"
33 PHI 2 43 GLU C 2 44 ILE N 2 44 ILE CA 2 44 ILE C -131.00 -71.00 -128.32 -129.77 -129.86 1.13 15 0 "[ . 1 . 2]"
34 PSI 2 44 ILE N 2 44 ILE CA 2 44 ILE C 2 45 ILE N 102.30 162.30 131.97 115.40 147.60 . . 0 "[ . 1 . 2]"
35 PHI 2 44 ILE C 2 45 ILE N 2 45 ILE CA 2 45 ILE C -132.60 -72.60 -93.47 -91.33 -93.18 . . 0 "[ . 1 . 2]"
36 PSI 2 45 ILE N 2 45 ILE CA 2 45 ILE C 2 46 PHE N 94.80 154.80 122.01 132.57 130.00 . . 0 "[ . 1 . 2]"
37 PHI 2 53 GLY C 2 54 PHE N 2 54 PHE CA 2 54 PHE C -169.80 -109.80 -138.81 -146.88 -127.90 . . 0 "[ . 1 . 2]"
38 PSI 2 54 PHE N 2 54 PHE CA 2 54 PHE C 2 55 GLY N 126.40 -173.60 165.02 167.99 167.64 . . 0 "[ . 1 . 2]"
39 PHI 2 54 PHE C 2 55 GLY N 2 55 GLY CA 2 55 GLY C 165.80 -134.20 -150.46 -164.72 -138.84 . . 0 "[ . 1 . 2]"
40 PSI 2 55 GLY N 2 55 GLY CA 2 55 GLY C 2 56 PHE N 143.50 -156.50 177.89 170.91 -173.41 . . 0 "[ . 1 . 2]"
41 PHI 2 55 GLY C 2 56 PHE N 2 56 PHE CA 2 56 PHE C -162.20 -102.20 -139.25 -137.84 -139.35 . . 0 "[ . 1 . 2]"
42 PSI 2 56 PHE N 2 56 PHE CA 2 56 PHE C 2 57 VAL N 119.20 179.20 158.61 160.97 160.47 . . 0 "[ . 1 . 2]"
43 PHI 2 56 PHE C 2 57 VAL N 2 57 VAL CA 2 57 VAL C -172.20 -112.20 -141.88 -147.80 -136.07 . . 0 "[ . 1 . 2]"
44 PSI 2 57 VAL N 2 57 VAL CA 2 57 VAL C 2 58 THR N 110.90 170.90 150.99 148.54 146.35 . . 0 "[ . 1 . 2]"
45 PHI 2 57 VAL C 2 58 THR N 2 58 THR CA 2 58 THR C -133.30 -73.30 -120.67 -126.91 -100.19 . . 0 "[ . 1 . 2]"
46 PSI 2 58 THR N 2 58 THR CA 2 58 THR C 2 59 PHE N 90.70 150.70 133.41 128.99 126.63 . . 0 "[ . 1 . 2]"
47 PHI 2 58 THR C 2 59 PHE N 2 59 PHE CA 2 59 PHE C -114.80 -54.80 -117.18 -127.96 -94.17 13.16 10 7 "[ -**. * + .* * 2]"
48 PSI 2 59 PHE N 2 59 PHE CA 2 59 PHE C 2 60 GLU N 116.90 176.90 144.47 148.12 146.92 . . 0 "[ . 1 . 2]"
49 PHI 2 59 PHE C 2 60 GLU N 2 60 GLU CA 2 60 GLU C -97.50 -37.50 -49.00 -46.61 -47.42 . . 0 "[ . 1 . 2]"
50 PSI 2 60 GLU N 2 60 GLU CA 2 60 GLU C 2 61 ASN N -66.80 -6.80 -33.61 -44.29 -21.81 . . 0 "[ . 1 . 2]"
51 PHI 2 61 ASN C 2 62 SER N 2 62 SER CA 2 62 SER C -84.70 -24.70 -58.97 -56.18 -56.92 . . 0 "[ . 1 . 2]"
52 PSI 2 62 SER N 2 62 SER CA 2 62 SER C 2 63 ALA N -74.80 -14.80 -37.21 -37.79 -39.47 . . 0 "[ . 1 . 2]"
53 PHI 2 62 SER C 2 63 ALA N 2 63 ALA CA 2 63 ALA C -88.80 -28.80 -69.73 -75.03 -61.79 . . 0 "[ . 1 . 2]"
54 PSI 2 63 ALA N 2 63 ALA CA 2 63 ALA C 2 64 ASP N -76.10 -16.10 -8.24 -4.25 -7.36 27.63 16 13 "[*** -* * * ****+ *2]"
55 PHI 2 63 ALA C 2 64 ASP N 2 64 ASP CA 2 64 ASP C -94.80 -34.80 -109.85 -127.28 -76.17 32.48 16 18 "[********-******+ **]"
56 PSI 2 64 ASP N 2 64 ASP CA 2 64 ASP C 2 65 ALA N -72.20 -12.20 -30.88 -38.57 -23.41 . . 0 "[ . 1 . 2]"
57 PHI 2 64 ASP C 2 65 ALA N 2 65 ALA CA 2 65 ALA C -93.60 -33.60 -58.66 -58.92 -58.98 . . 0 "[ . 1 . 2]"
58 PSI 2 65 ALA N 2 65 ALA CA 2 65 ALA C 2 66 ASP N -71.40 -11.40 -50.53 -59.74 -42.72 . . 0 "[ . 1 . 2]"
59 PHI 2 65 ALA C 2 66 ASP N 2 66 ASP CA 2 66 ASP C -93.40 -33.40 -62.13 -70.23 -52.70 . . 0 "[ . 1 . 2]"
60 PSI 2 66 ASP N 2 66 ASP CA 2 66 ASP C 2 67 ARG N -68.40 -8.40 -30.18 -20.00 -21.27 . . 0 "[ . 1 . 2]"
61 PHI 2 66 ASP C 2 67 ARG N 2 67 ARG CA 2 67 ARG C -94.90 -34.90 -65.72 -79.50 -59.77 . . 0 "[ . 1 . 2]"
62 PSI 2 67 ARG N 2 67 ARG CA 2 67 ARG C 2 68 ALA N -72.80 -12.80 -41.17 -42.38 -43.07 . . 0 "[ . 1 . 2]"
63 PHI 2 67 ARG C 2 68 ALA N 2 68 ALA CA 2 68 ALA C -91.00 -31.00 -63.95 -67.11 -59.97 . . 0 "[ . 1 . 2]"
64 PSI 2 68 ALA N 2 68 ALA CA 2 68 ALA C 2 69 ARG N -69.50 -9.50 -43.03 -43.42 -43.47 . . 0 "[ . 1 . 2]"
65 PHI 2 68 ALA C 2 69 ARG N 2 69 ARG CA 2 69 ARG C -87.20 -27.20 -58.94 -58.03 -58.51 . . 0 "[ . 1 . 2]"
66 PSI 2 69 ARG N 2 69 ARG CA 2 69 ARG C 2 70 GLU N -75.90 -15.90 -49.98 -48.86 -49.66 . . 0 "[ . 1 . 2]"
67 PHI 2 69 ARG C 2 70 GLU N 2 70 GLU CA 2 70 GLU C -96.50 -36.50 -65.11 -66.81 -67.78 . . 0 "[ . 1 . 2]"
68 PSI 2 70 GLU N 2 70 GLU CA 2 70 GLU C 2 71 LYS N -70.90 -10.90 -26.42 -35.01 -20.51 . . 0 "[ . 1 . 2]"
69 PHI 2 70 GLU C 2 71 LYS N 2 71 LYS CA 2 71 LYS C -104.70 -44.70 -83.99 -82.75 -83.89 . . 0 "[ . 1 . 2]"
70 PSI 2 71 LYS N 2 71 LYS CA 2 71 LYS C 2 72 LEU N -67.80 -7.80 -45.55 -47.64 -47.66 . . 0 "[ . 1 . 2]"
71 PHI 2 71 LYS C 2 72 LEU N 2 72 LEU CA 2 72 LEU C -116.00 -56.00 -91.39 -103.15 -83.28 . . 0 "[ . 1 . 2]"
72 PSI 2 72 LEU N 2 72 LEU CA 2 72 LEU C 2 73 HIS N -60.70 -0.70 -28.53 -35.85 -21.57 . . 0 "[ . 1 . 2]"
73 PHI 2 72 LEU C 2 73 HIS N 2 73 HIS CA 2 73 HIS C -85.40 -25.40 -58.59 -56.15 -57.00 . . 0 "[ . 1 . 2]"
74 PSI 2 73 HIS N 2 73 HIS CA 2 73 HIS C 2 74 GLY N 103.00 163.00 118.01 117.98 116.10 . . 0 "[ . 1 . 2]"
75 PHI 2 75 THR C 2 76 VAL N 2 76 VAL CA 2 76 VAL C -131.20 -71.20 -116.42 -124.51 -92.48 . . 0 "[ . 1 . 2]"
76 PSI 2 76 VAL N 2 76 VAL CA 2 76 VAL C 2 77 VAL N 92.70 152.70 139.58 127.22 123.89 . . 0 "[ . 1 . 2]"
77 PHI 2 76 VAL C 2 77 VAL N 2 77 VAL CA 2 77 VAL C -151.40 -91.40 -135.87 -143.41 -125.72 . . 0 "[ . 1 . 2]"
78 PSI 2 77 VAL N 2 77 VAL CA 2 77 VAL C 2 78 GLU N 94.30 154.30 127.24 122.52 135.05 . . 0 "[ . 1 . 2]"
79 PHI 2 77 VAL C 2 78 GLU N 2 78 GLU CA 2 78 GLU C 21.00 81.00 44.18 49.99 46.67 . . 0 "[ . 1 . 2]"
80 PSI 2 78 GLU N 2 78 GLU CA 2 78 GLU C 2 79 GLY N 10.40 70.40 27.59 -7.34 44.19 17.74 2 2 "[ + . - . 2]"
81 PHI 2 79 GLY C 2 80 ARG N 2 80 ARG CA 2 80 ARG C -144.60 -84.60 -113.38 -133.35 -91.71 . . 0 "[ . 1 . 2]"
82 PSI 2 80 ARG N 2 80 ARG CA 2 80 ARG C 2 81 LYS N 106.90 166.90 122.21 116.50 113.54 . . 0 "[ . 1 . 2]"
83 PHI 2 80 ARG C 2 81 LYS N 2 81 LYS CA 2 81 LYS C -117.30 -57.30 -73.24 -80.43 -62.64 . . 0 "[ . 1 . 2]"
84 PSI 2 81 LYS N 2 81 LYS CA 2 81 LYS C 2 82 ILE N 91.80 151.80 123.65 113.80 107.66 . . 0 "[ . 1 . 2]"
85 PHI 2 81 LYS C 2 82 ILE N 2 82 ILE CA 2 82 ILE C -132.70 -72.70 -101.78 -125.22 -74.72 . . 0 "[ . 1 . 2]"
86 PSI 2 82 ILE N 2 82 ILE CA 2 82 ILE C 2 83 GLU N 102.60 162.60 152.54 157.45 156.21 . . 0 "[ . 1 . 2]"
87 PHI 2 82 ILE C 2 83 GLU N 2 83 GLU CA 2 83 GLU C -156.50 -96.50 -98.57 -109.01 -78.46 18.04 10 3 "[ . - +* . 2]"
88 PSI 2 83 GLU N 2 83 GLU CA 2 83 GLU C 2 84 VAL N 103.80 163.80 154.91 155.56 154.90 . . 0 "[ . 1 . 2]"
89 PHI 2 83 GLU C 2 84 VAL N 2 84 VAL CA 2 84 VAL C -145.50 -85.50 -140.69 -144.89 -135.01 . . 0 "[ . 1 . 2]"
90 PSI 2 84 VAL N 2 84 VAL CA 2 84 VAL C 2 85 ASN N 99.80 159.80 132.36 134.18 133.63 . . 0 "[ . 1 . 2]"
91 PHI 2 84 VAL C 2 85 ASN N 2 85 ASN CA 2 85 ASN C -166.90 -106.90 -147.12 -153.51 -138.35 . . 0 "[ . 1 . 2]"
92 PSI 2 85 ASN N 2 85 ASN CA 2 85 ASN C 2 86 ASN N 134.40 -165.60 171.88 172.19 171.22 . . 0 "[ . 1 . 2]"
93 DELTA 1 2 G C5' 1 2 G C4' 1 2 G C3' 1 2 G O3' 82.00 86.00 85.82 81.37 80.57 61.54 19 3 "[ * 1 . +-]"
94 NU2 1 2 G C4' 1 2 G C3' 1 2 G C2' 1 2 G C1' 35.00 41.00 26.79 -41.99 35.60 76.99 19 3 "[ * 1 . - +2]"
95 NU1 1 2 G C3' 1 2 G C2' 1 2 G C1' 1 2 G O4' -34.00 -14.00 -16.86 -20.06 -20.96 52.31 19 2 "[ - 1 . +2]"
96 DELTA 1 3 U C5' 1 3 U C4' 1 3 U C3' 1 3 U O3' 82.00 86.00 81.72 84.51 84.11 10.40 16 4 "[ * 1 - .+ *2]"
97 NU2 1 3 U C4' 1 3 U C3' 1 3 U C2' 1 3 U C1' 35.00 41.00 35.30 31.15 41.42 3.85 11 0 "[ . 1 . 2]"
98 NU1 1 3 U C3' 1 3 U C2' 1 3 U C1' 1 3 U O4' -34.00 -14.00 -28.43 -27.28 -28.36 1.32 16 0 "[ . 1 . 2]"
99 DELTA 1 4 A C5' 1 4 A C4' 1 4 A C3' 1 4 A O3' 82.00 86.00 83.50 88.15 88.05 4.99 5 0 "[ . 1 . 2]"
100 NU2 1 4 A C4' 1 4 A C3' 1 4 A C2' 1 4 A C1' 35.00 41.00 33.90 33.44 33.36 3.26 6 0 "[ . 1 . 2]"
101 NU1 1 4 A C3' 1 4 A C2' 1 4 A C1' 1 4 A O4' -34.00 -14.00 -28.25 -31.77 -31.92 2.97 15 0 "[ . 1 . 2]"
102 DELTA 1 5 G C5' 1 5 G C4' 1 5 G C3' 1 5 G O3' 82.00 86.00 93.10 99.37 98.58 15.68 16 12 "[**-*.* * ** .+ ***]"
103 NU2 1 5 G C4' 1 5 G C3' 1 5 G C2' 1 5 G C1' 35.00 41.00 33.39 30.62 30.50 6.40 16 2 "[ -. 1 .+ 2]"
104 NU1 1 5 G C3' 1 5 G C2' 1 5 G C1' 1 5 G O4' -34.00 -14.00 -33.19 -34.02 -34.52 2.53 6 0 "[ . 1 . 2]"
105 DELTA 1 6 U C5' 1 6 U C4' 1 6 U C3' 1 6 U O3' 82.00 86.00 81.22 81.53 80.58 4.27 17 0 "[ . 1 . 2]"
106 NU2 1 6 U C4' 1 6 U C3' 1 6 U C2' 1 6 U C1' 35.00 41.00 36.62 33.79 39.10 1.21 4 0 "[ . 1 . 2]"
107 NU1 1 6 U C3' 1 6 U C2' 1 6 U C1' 1 6 U O4' -34.00 -14.00 -30.15 -33.56 -27.21 . . 0 "[ . 1 . 2]"
108 DELTA 1 7 U C5' 1 7 U C4' 1 7 U C3' 1 7 U O3' 82.00 86.00 109.04 138.99 132.19 68.23 14 15 "[*** .** ** **+*** *-]"
109 NU2 1 7 U C4' 1 7 U C3' 1 7 U C2' 1 7 U C1' 35.00 41.00 -1.54 -33.80 -35.41 76.28 10 10 "[** .* *+ * ** - *2]"
110 NU1 1 7 U C3' 1 7 U C2' 1 7 U C1' 1 7 U O4' -34.00 -14.00 6.95 -28.36 43.33 57.33 1 10 "[+* .* ** * -* * *2]"
111 DELTA 1 17 C C5' 1 17 C C4' 1 17 C C3' 1 17 C O3' 82.00 86.00 84.77 71.91 147.80 61.80 11 8 "[ * -* * *+ *. * 2]"
112 NU2 1 17 C C4' 1 17 C C3' 1 17 C C2' 1 17 C C1' 35.00 41.00 27.80 37.79 36.76 67.51 8 5 "[ . + 1* ** -]"
113 NU1 1 17 C C3' 1 17 C C2' 1 17 C C1' 1 17 C O4' -34.00 -14.00 -17.35 -31.74 23.16 37.16 8 2 "[ . + 1- . 2]"
114 DELTA 1 18 U C5' 1 18 U C4' 1 18 U C3' 1 18 U O3' 82.00 86.00 81.96 86.00 84.25 10.84 6 5 "[ .+-* 1* . * 2]"
115 NU2 1 18 U C4' 1 18 U C3' 1 18 U C2' 1 18 U C1' 35.00 41.00 33.59 26.98 36.69 8.02 7 2 "[ - . + 1 . 2]"
116 NU1 1 18 U C3' 1 18 U C2' 1 18 U C1' 1 18 U O4' -34.00 -14.00 -23.84 -31.34 -8.79 5.21 7 1 "[ . + 1 . 2]"
117 DELTA 1 19 C C5' 1 19 C C4' 1 19 C C3' 1 19 C O3' 82.00 86.00 79.81 83.93 82.02 6.75 8 1 "[ . + 1 . 2]"
118 NU2 1 19 C C4' 1 19 C C3' 1 19 C C2' 1 19 C C1' 35.00 41.00 37.42 34.39 39.63 0.61 4 0 "[ . 1 . 2]"
119 NU1 1 19 C C3' 1 19 C C2' 1 19 C C1' 1 19 C O4' -34.00 -14.00 -28.79 -31.58 -24.47 . . 0 "[ . 1 . 2]"
120 DELTA 1 20 U C5' 1 20 U C4' 1 20 U C3' 1 20 U O3' 82.00 86.00 78.20 79.75 79.28 6.21 9 4 "[ - . +1* * 2]"
121 NU2 1 20 U C4' 1 20 U C3' 1 20 U C2' 1 20 U C1' 35.00 41.00 35.24 33.66 33.51 1.96 10 0 "[ . 1 . 2]"
122 NU1 1 20 U C3' 1 20 U C2' 1 20 U C1' 1 20 U O4' -34.00 -14.00 -24.41 -28.59 -21.63 . . 0 "[ . 1 . 2]"
123 DELTA 1 21 A C5' 1 21 A C4' 1 21 A C3' 1 21 A O3' 82.00 86.00 86.29 75.16 100.43 14.43 15 5 "[ .- *1 *+ * 2]"
124 NU2 1 21 A C4' 1 21 A C3' 1 21 A C2' 1 21 A C1' 35.00 41.00 32.88 23.10 35.58 11.90 15 2 "[ . 1 + - 2]"
125 NU1 1 21 A C3' 1 21 A C2' 1 21 A C1' 1 21 A O4' -34.00 -14.00 -28.27 -30.62 -30.86 . . 0 "[ . 1 . 2]"
126 DELTA 1 22 C C5' 1 22 C C4' 1 22 C C3' 1 22 C O3' 82.00 86.00 78.93 72.65 88.86 9.35 14 8 "[ -.****1 *+. * 2]"
127 NU2 1 22 C C4' 1 22 C C3' 1 22 C C2' 1 22 C C1' 35.00 41.00 34.70 32.54 31.71 3.36 5 0 "[ . 1 . 2]"
128 NU1 1 22 C C3' 1 22 C C2' 1 22 C C1' 1 22 C O4' -34.00 -14.00 -23.70 -28.38 -20.77 . . 0 "[ . 1 . 2]"
129 DELTA 1 8 U C5' 1 8 U C4' 1 8 U C3' 1 8 U O3' 142.00 146.00 133.84 72.84 161.89 69.16 17 19 "[*************-**+ **]"
130 NU2 1 8 U C4' 1 8 U C3' 1 8 U C2' 1 8 U C1' -41.00 -35.00 -13.86 -13.82 -24.71 73.01 17 15 "[ * -****1***** +***]"
131 NU1 1 8 U C3' 1 8 U C2' 1 8 U C1' 1 8 U O4' 28.00 48.00 4.18 -27.17 30.49 55.17 17 17 "[**-** ** ****** +***]"
132 DELTA 1 9 U C5' 1 9 U C4' 1 9 U C3' 1 9 U O3' 142.00 146.00 151.41 158.90 157.18 16.45 7 11 "[***** + - ** . **2]"
133 NU2 1 9 U C4' 1 9 U C3' 1 9 U C2' 1 9 U C1' -41.00 -35.00 -35.26 -42.04 -26.45 8.55 13 4 "[- **. 1 + . 2]"
134 NU1 1 9 U C3' 1 9 U C2' 1 9 U C1' 1 9 U O4' 28.00 48.00 22.92 8.87 7.97 21.69 13 10 "[****. * 1 *+ . * *-]"
135 DELTA 1 11 G C5' 1 11 G C4' 1 11 G C3' 1 11 G O3' 142.00 146.00 138.18 121.13 150.09 20.87 16 7 "[ * . * 1 -*.+** 2]"
136 NU2 1 11 G C4' 1 11 G C3' 1 11 G C2' 1 11 G C1' -41.00 -35.00 -33.27 -34.73 -35.38 9.82 10 2 "[ . + .- 2]"
137 NU1 1 11 G C3' 1 11 G C2' 1 11 G C1' 1 11 G O4' 28.00 48.00 34.28 39.46 39.38 15.43 10 2 "[ . + . -2]"
138 DELTA 1 12 C C5' 1 12 C C4' 1 12 C C3' 1 12 C O3' 142.00 146.00 130.58 111.02 141.58 30.98 9 13 "[***** * +1-** .** *2]"
139 NU2 1 12 C C4' 1 12 C C3' 1 12 C C2' 1 12 C C1' -41.00 -35.00 -29.97 -23.56 -24.68 19.19 9 9 "[** *- +1 * .*** 2]"
140 NU1 1 12 C C3' 1 12 C C2' 1 12 C C1' 1 12 C O4' 28.00 48.00 34.55 22.24 44.46 5.76 16 1 "[ . 1 .+ 2]"
141 DELTA 1 13 A C5' 1 13 A C4' 1 13 A C3' 1 13 A O3' 142.00 146.00 143.38 147.93 146.97 35.27 15 6 "[ * . * 1 *+ *- 2]"
142 NU2 1 13 A C4' 1 13 A C3' 1 13 A C2' 1 13 A C1' -41.00 -35.00 -30.62 -33.59 -11.79 23.21 15 4 "[- . * 1 *+ 2]"
143 NU1 1 13 A C3' 1 13 A C2' 1 13 A C1' 1 13 A O4' 28.00 48.00 24.87 21.08 18.68 10.25 1 4 "[+- . * 1 . * 2]"
144 DELTA 1 14 U C5' 1 14 U C4' 1 14 U C3' 1 14 U O3' 142.00 146.00 127.97 122.41 116.78 47.70 14 20 [*************+****-*]
145 NU2 1 14 U C4' 1 14 U C3' 1 14 U C2' 1 14 U C1' -41.00 -35.00 -28.24 -35.74 12.19 47.19 14 6 "[** . * 1 +* - 2]"
146 NU1 1 14 U C3' 1 14 U C2' 1 14 U C1' 1 14 U O4' 28.00 48.00 34.18 35.17 34.48 24.80 14 1 "[ . 1 +. 2]"
147 DELTA 1 16 A C5' 1 16 A C4' 1 16 A C3' 1 16 A O3' 142.00 146.00 149.98 157.65 156.40 29.35 18 15 "[****** *** **- +**]"
148 NU2 1 16 A C4' 1 16 A C3' 1 16 A C2' 1 16 A C1' -41.00 -35.00 -26.20 -41.76 21.54 56.54 18 10 "[ . ***1- ***+**]"
149 NU1 1 16 A C3' 1 16 A C2' 1 16 A C1' 1 16 A O4' 28.00 48.00 9.88 21.23 16.59 60.27 18 17 "[*-* *****1*** ***+**]"
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