NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
469490 | 1agg | cing | recoord | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1agg save_distance_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 173 _TA_constraint_stats_list.Viol_count 1385 _TA_constraint_stats_list.Viol_total 32878.98 _TA_constraint_stats_list.Viol_max 14.48 _TA_constraint_stats_list.Viol_rms 0.99 _TA_constraint_stats_list.Viol_average_all_restraints 0.33 _TA_constraint_stats_list.Viol_average_violations_only 0.99 _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 4 CYS C 1 5 ILE N 1 5 ILE CA 1 5 ILE C -175.00 -75.00 -109.15 -107.74 -108.01 . . 0 "[ . 1 . 2 ]" 2 . 1 10 GLY C 1 11 LYS N 1 11 LYS CA 1 11 LYS C -90.00 -10.00 -81.93 -77.21 -90.88 7.66 20 3 "[ . - 1 * + ]" 3 . 1 13 THR C 1 14 TRP N 1 14 TRP CA 1 14 TRP C -90.00 -10.00 -86.57 -86.36 -90.39 4.79 16 0 "[ . 1 . 2 ]" 4 . 1 16 GLY C 1 17 THR N 1 17 THR CA 1 17 THR C -90.00 -10.00 -84.01 -91.29 -71.09 1.29 20 0 "[ . 1 . 2 ]" 5 . 1 20 CYS C 1 21 ARG N 1 21 ARG CA 1 21 ARG C -90.00 -10.00 -86.44 -94.77 4.48 14.48 10 2 "[ . + . 2 - ]" 6 . 1 27 CYS C 1 28 SER N 1 28 SER CA 1 28 SER C -90.00 -10.00 -63.37 -77.86 -51.31 . . 0 "[ . 1 . 2 ]" 7 . 1 28 SER C 1 29 MET N 1 29 MET CA 1 29 MET C -90.00 -10.00 -65.43 -63.69 -64.39 . . 0 "[ . 1 . 2 ]" 8 . 1 35 GLU C 1 36 CYS N 1 36 CYS CA 1 36 CYS C -90.00 -10.00 -86.63 -86.69 -88.08 5.58 18 1 "[ . 1 . + 2 ]" 9 . 1 11 LYS C 1 12 CYS N 1 12 CYS CA 1 12 CYS C -175.00 -75.00 -136.89 -136.42 -138.36 . . 0 "[ . 1 . 2 ]" 10 . 1 12 CYS C 1 13 THR N 1 13 THR CA 1 13 THR C -175.00 -75.00 -144.67 -150.61 -140.16 . . 0 "[ . 1 . 2 ]" 11 . 1 24 PRO C 1 25 CYS N 1 25 CYS CA 1 25 CYS C -175.00 -75.00 -127.05 -132.44 -134.55 . . 0 "[ . 1 . 2 ]" 12 . 1 26 ARG C 1 27 CYS N 1 27 CYS CA 1 27 CYS C -175.00 -75.00 -77.68 -134.85 -73.23 1.77 14 0 "[ . 1 . 2 ]" 13 . 1 31 GLY C 1 32 THR N 1 32 THR CA 1 32 THR C -175.00 -75.00 -94.24 -89.79 -96.17 . . 0 "[ . 1 . 2 ]" 14 . 1 34 CYS C 1 35 GLU N 1 35 GLU CA 1 35 GLU C -175.00 -75.00 -130.36 -142.23 -119.27 . . 0 "[ . 1 . 2 ]" 15 . 1 29 MET C 1 30 ILE N 1 30 ILE CA 1 30 ILE C -175.00 -75.00 -76.64 -74.48 -74.53 1.38 11 0 "[ . 1 . 2 ]" 16 . 1 12 CYS N 1 12 CYS CA 1 12 CYS CB 1 12 CYS SG 40.00 80.00 67.20 51.44 80.79 0.79 22 0 "[ . 1 . 2 ]" 17 . 1 4 CYS N 1 4 CYS CA 1 4 CYS CB 1 4 CYS SG 40.00 80.00 66.19 66.34 66.10 . . 0 "[ . 1 . 2 ]" 18 . 1 19 CYS N 1 19 CYS CA 1 19 CYS CB 1 19 CYS SG -80.00 -40.00 -77.06 -57.65 -62.26 10.86 6 12 "[- ***+ *1* . * *2** *]" 19 . 1 27 CYS N 1 27 CYS CA 1 27 CYS CB 1 27 CYS SG -80.00 -40.00 -65.82 -65.70 -83.57 5.96 11 1 "[ . 1+ . 2 ]" 20 . 1 34 CYS N 1 34 CYS CA 1 34 CYS CB 1 34 CYS SG -80.00 -40.00 -66.35 -67.60 -76.55 1.28 11 0 "[ . 1 . 2 ]" 21 . 1 20 CYS N 1 20 CYS CA 1 20 CYS CB 1 20 CYS SG 160.00 -160.00 -154.66 -156.16 -152.02 7.98 23 16 "[* -******** *. ** * *+ ]" 22 . 1 2 ASP CA 1 2 ASP C 1 3 ASN N 1 3 ASN CA 170.00 -170.00 177.35 171.44 170.11 1.02 15 0 "[ . 1 . 2 ]" 23 . 1 2 ASP O 1 2 ASP C 1 3 ASN N 1 3 ASN H 170.00 -170.00 -179.84 169.86 -169.55 0.45 9 0 "[ . 1 . 2 ]" 24 . 1 2 ASP CA 1 2 ASP C 1 3 ASN N 1 3 ASN H -10.00 10.00 0.22 -10.09 10.66 0.66 7 0 "[ . 1 . 2 ]" 25 . 1 2 ASP O 1 2 ASP C 1 3 ASN N 1 3 ASN CA -10.00 10.00 -2.72 -7.94 -8.66 0.39 15 0 "[ . 1 . 2 ]" 26 . 1 3 ASN CA 1 3 ASN C 1 4 CYS N 1 4 CYS CA 170.00 -170.00 -179.62 -177.98 179.11 1.86 13 0 "[ . 1 . 2 ]" 27 . 1 3 ASN O 1 3 ASN C 1 4 CYS N 1 4 CYS H 170.00 -170.00 176.46 169.67 -169.74 0.33 8 0 "[ . 1 . 2 ]" 28 . 1 3 ASN CA 1 3 ASN C 1 4 CYS N 1 4 CYS H -10.00 10.00 -4.40 -10.20 9.07 0.20 18 0 "[ . 1 . 2 ]" 29 . 1 3 ASN O 1 3 ASN C 1 4 CYS N 1 4 CYS CA -10.00 10.00 1.24 0.84 -3.51 0.36 8 0 "[ . 1 . 2 ]" 30 . 1 4 CYS CA 1 4 CYS C 1 5 ILE N 1 5 ILE CA 170.00 -170.00 177.04 170.27 -177.14 . . 0 "[ . 1 . 2 ]" 31 . 1 4 CYS O 1 4 CYS C 1 5 ILE N 1 5 ILE H 170.00 -170.00 -171.21 -176.63 -169.66 0.34 21 0 "[ . 1 . 2 ]" 32 . 1 4 CYS CA 1 4 CYS C 1 5 ILE N 1 5 ILE H -10.00 10.00 8.73 4.30 10.24 0.24 8 0 "[ . 1 . 2 ]" 33 . 1 4 CYS O 1 4 CYS C 1 5 ILE N 1 5 ILE CA -10.00 10.00 -2.90 -9.40 2.84 . . 0 "[ . 1 . 2 ]" 34 . 1 5 ILE CA 1 5 ILE C 1 6 ALA N 1 6 ALA CA 170.00 -170.00 -175.88 177.32 -171.82 . . 0 "[ . 1 . 2 ]" 35 . 1 5 ILE O 1 5 ILE C 1 6 ALA N 1 6 ALA H 170.00 -170.00 -169.26 -169.21 -169.23 0.97 10 0 "[ . 1 . 2 ]" 36 . 1 5 ILE CA 1 5 ILE C 1 6 ALA N 1 6 ALA H -10.00 10.00 9.93 10.31 10.27 0.47 3 0 "[ . 1 . 2 ]" 37 . 1 5 ILE O 1 5 ILE C 1 6 ALA N 1 6 ALA CA -10.00 10.00 4.94 0.67 8.65 . . 0 "[ . 1 . 2 ]" 38 . 1 6 ALA CA 1 6 ALA C 1 7 GLU N 1 7 GLU CA 170.00 -170.00 -172.46 -170.22 -170.58 3.20 23 0 "[ . 1 . 2 ]" 39 . 1 6 ALA O 1 6 ALA C 1 7 GLU N 1 7 GLU H 170.00 -170.00 172.11 169.55 -173.95 0.45 21 0 "[ . 1 . 2 ]" 40 . 1 6 ALA CA 1 6 ALA C 1 7 GLU N 1 7 GLU H -10.00 10.00 -8.18 -10.11 -10.15 0.26 13 0 "[ . 1 . 2 ]" 41 . 1 6 ALA O 1 6 ALA C 1 7 GLU N 1 7 GLU CA -10.00 10.00 7.82 10.19 10.13 0.79 21 0 "[ . 1 . 2 ]" 42 . 1 7 GLU CA 1 7 GLU C 1 8 ASP N 1 8 ASP CA 170.00 -170.00 167.65 163.90 169.64 6.10 23 2 "[ . 1 . - 2 + ]" 43 . 1 7 GLU O 1 7 GLU C 1 8 ASP N 1 8 ASP H 170.00 -170.00 179.48 179.11 179.05 . . 0 "[ . 1 . 2 ]" 44 . 1 7 GLU CA 1 7 GLU C 1 8 ASP N 1 8 ASP H -10.00 10.00 -3.06 -7.44 -1.02 . . 0 "[ . 1 . 2 ]" 45 . 1 7 GLU O 1 7 GLU C 1 8 ASP N 1 8 ASP CA -10.00 10.00 -9.81 -10.88 -7.63 0.88 13 0 "[ . 1 . 2 ]" 46 . 1 8 ASP CA 1 8 ASP C 1 9 TYR N 1 9 TYR CA 170.00 -170.00 -170.51 -171.20 168.35 3.61 18 0 "[ . 1 . 2 ]" 47 . 1 8 ASP O 1 8 ASP C 1 9 TYR N 1 9 TYR H 170.00 -170.00 -171.14 -170.00 -170.43 0.24 3 0 "[ . 1 . 2 ]" 48 . 1 8 ASP CA 1 8 ASP C 1 9 TYR N 1 9 TYR H -10.00 10.00 10.33 8.91 7.25 0.86 18 0 "[ . 1 . 2 ]" 49 . 1 8 ASP O 1 8 ASP C 1 9 TYR N 1 9 TYR CA -10.00 10.00 8.00 8.21 -10.07 0.63 11 0 "[ . 1 . 2 ]" 50 . 1 9 TYR CA 1 9 TYR C 1 10 GLY N 1 10 GLY CA 170.00 -170.00 169.20 166.69 178.75 3.31 9 0 "[ . 1 . 2 ]" 51 . 1 9 TYR O 1 9 TYR C 1 10 GLY N 1 10 GLY H 170.00 -170.00 176.67 179.10 178.62 . . 0 "[ . 1 . 2 ]" 52 . 1 9 TYR CA 1 9 TYR C 1 10 GLY N 1 10 GLY H -10.00 10.00 -7.40 -5.15 -5.36 0.37 8 0 "[ . 1 . 2 ]" 53 . 1 9 TYR O 1 9 TYR C 1 10 GLY N 1 10 GLY CA -10.00 10.00 -6.74 -9.07 0.60 . . 0 "[ . 1 . 2 ]" 54 . 1 10 GLY CA 1 10 GLY C 1 11 LYS N 1 11 LYS CA 170.00 -170.00 -176.85 -173.31 169.82 2.53 20 0 "[ . 1 . 2 ]" 55 . 1 10 GLY O 1 10 GLY C 1 11 LYS N 1 11 LYS H 170.00 -170.00 -170.45 -169.71 -169.78 0.59 16 0 "[ . 1 . 2 ]" 56 . 1 10 GLY CA 1 10 GLY C 1 11 LYS N 1 11 LYS H -10.00 10.00 9.38 10.06 9.90 0.69 3 0 "[ . 1 . 2 ]" 57 . 1 10 GLY O 1 10 GLY C 1 11 LYS N 1 11 LYS CA -10.00 10.00 3.32 6.64 -10.27 1.67 20 0 "[ . 1 . 2 ]" 58 . 1 11 LYS CA 1 11 LYS C 1 12 CYS N 1 12 CYS CA 170.00 -170.00 -175.77 169.94 -168.70 1.30 19 0 "[ . 1 . 2 ]" 59 . 1 11 LYS O 1 11 LYS C 1 12 CYS N 1 12 CYS H 170.00 -170.00 -170.12 -173.87 -169.13 0.87 15 0 "[ . 1 . 2 ]" 60 . 1 11 LYS CA 1 11 LYS C 1 12 CYS N 1 12 CYS H -10.00 10.00 9.71 10.16 10.10 0.68 6 0 "[ . 1 . 2 ]" 61 . 1 11 LYS O 1 11 LYS C 1 12 CYS N 1 12 CYS CA -10.00 10.00 4.40 -7.62 10.31 0.31 6 0 "[ . 1 . 2 ]" 62 . 1 12 CYS CA 1 12 CYS C 1 13 THR N 1 13 THR CA 170.00 -170.00 172.85 168.05 -176.33 1.95 8 0 "[ . 1 . 2 ]" 63 . 1 12 CYS O 1 12 CYS C 1 13 THR N 1 13 THR H 170.00 -170.00 178.40 179.92 179.11 . . 0 "[ . 1 . 2 ]" 64 . 1 12 CYS CA 1 12 CYS C 1 13 THR N 1 13 THR H -10.00 10.00 -1.24 -2.27 -3.68 . . 0 "[ . 1 . 2 ]" 65 . 1 12 CYS O 1 12 CYS C 1 13 THR N 1 13 THR CA -10.00 10.00 -7.51 -10.35 1.34 0.35 23 0 "[ . 1 . 2 ]" 66 . 1 13 THR CA 1 13 THR C 1 14 TRP N 1 14 TRP CA 170.00 -170.00 168.91 168.82 168.73 1.75 10 0 "[ . 1 . 2 ]" 67 . 1 13 THR O 1 13 THR C 1 14 TRP N 1 14 TRP H 170.00 -170.00 -173.40 -179.90 -168.82 1.18 16 0 "[ . 1 . 2 ]" 68 . 1 13 THR CA 1 13 THR C 1 14 TRP N 1 14 TRP H -10.00 10.00 3.10 -4.49 10.59 0.59 1 0 "[ . 1 . 2 ]" 69 . 1 13 THR O 1 13 THR C 1 14 TRP N 1 14 TRP CA -10.00 10.00 -7.59 -8.56 -9.72 0.75 16 0 "[ . 1 . 2 ]" 70 . 1 14 TRP CA 1 14 TRP C 1 15 GLY N 1 15 GLY CA 170.00 -170.00 -166.96 -167.83 -168.61 5.31 22 2 "[ .- 1 . 2 + ]" 71 . 1 14 TRP O 1 14 TRP C 1 15 GLY N 1 15 GLY H 170.00 -170.00 178.22 178.06 172.13 0.06 11 0 "[ . 1 . 2 ]" 72 . 1 14 TRP CA 1 14 TRP C 1 15 GLY N 1 15 GLY H -10.00 10.00 1.64 0.46 -5.76 . . 0 "[ . 1 . 2 ]" 73 . 1 14 TRP O 1 14 TRP C 1 15 GLY N 1 15 GLY CA -10.00 10.00 9.62 9.23 9.20 0.44 6 0 "[ . 1 . 2 ]" 74 . 1 15 GLY CA 1 15 GLY C 1 16 GLY N 1 16 GLY CA 170.00 -170.00 -170.31 -168.66 169.57 5.10 6 1 "[ .+ 1 . 2 ]" 75 . 1 15 GLY O 1 15 GLY C 1 16 GLY N 1 16 GLY H 170.00 -170.00 -179.61 177.34 -171.45 . . 0 "[ . 1 . 2 ]" 76 . 1 15 GLY CA 1 15 GLY C 1 16 GLY N 1 16 GLY H -10.00 10.00 2.44 0.59 7.51 . . 0 "[ . 1 . 2 ]" 77 . 1 15 GLY O 1 15 GLY C 1 16 GLY N 1 16 GLY CA -10.00 10.00 7.62 9.68 -9.92 0.31 6 0 "[ . 1 . 2 ]" 78 . 1 16 GLY CA 1 16 GLY C 1 17 THR N 1 17 THR CA 170.00 -170.00 169.65 167.27 178.28 2.73 10 0 "[ . 1 . 2 ]" 79 . 1 16 GLY O 1 16 GLY C 1 17 THR N 1 17 THR H 170.00 -170.00 171.57 170.60 170.27 0.01 1 0 "[ . 1 . 2 ]" 80 . 1 16 GLY CA 1 16 GLY C 1 17 THR N 1 17 THR H -10.00 10.00 -9.88 -10.26 -10.36 0.40 16 0 "[ . 1 . 2 ]" 81 . 1 16 GLY O 1 16 GLY C 1 17 THR N 1 17 THR CA -10.00 10.00 -8.90 -10.20 -0.96 0.20 9 0 "[ . 1 . 2 ]" 82 . 1 17 THR CA 1 17 THR C 1 18 LYS N 1 18 LYS CA 170.00 -170.00 168.69 167.90 169.23 2.10 19 0 "[ . 1 . 2 ]" 83 . 1 17 THR O 1 17 THR C 1 18 LYS N 1 18 LYS H 170.00 -170.00 -173.34 -173.64 -174.12 0.09 6 0 "[ . 1 . 2 ]" 84 . 1 17 THR CA 1 17 THR C 1 18 LYS N 1 18 LYS H -10.00 10.00 5.72 5.67 5.19 . . 0 "[ . 1 . 2 ]" 85 . 1 17 THR O 1 17 THR C 1 18 LYS N 1 18 LYS CA -10.00 10.00 -10.38 -10.61 -9.77 0.61 3 0 "[ . 1 . 2 ]" 86 . 1 18 LYS CA 1 18 LYS C 1 19 CYS N 1 19 CYS CA 170.00 -170.00 -170.74 -172.11 -174.34 1.45 7 0 "[ . 1 . 2 ]" 87 . 1 18 LYS O 1 18 LYS C 1 19 CYS N 1 19 CYS H 170.00 -170.00 -171.15 -170.48 -170.69 0.16 20 0 "[ . 1 . 2 ]" 88 . 1 18 LYS CA 1 18 LYS C 1 19 CYS N 1 19 CYS H -10.00 10.00 10.41 10.42 10.37 1.06 23 0 "[ . 1 . 2 ]" 89 . 1 18 LYS O 1 18 LYS C 1 19 CYS N 1 19 CYS CA -10.00 10.00 7.70 9.42 8.50 0.33 20 0 "[ . 1 . 2 ]" 90 . 1 19 CYS CA 1 19 CYS C 1 20 CYS N 1 20 CYS CA 170.00 -170.00 -164.38 -167.35 -163.39 6.61 14 21 "[* *-*****1***+******** *]" 91 . 1 19 CYS O 1 19 CYS C 1 20 CYS N 1 20 CYS H 170.00 -170.00 -179.69 -176.92 -178.99 . . 0 "[ . 1 . 2 ]" 92 . 1 19 CYS CA 1 19 CYS C 1 20 CYS N 1 20 CYS H -10.00 10.00 5.70 8.89 6.93 . . 0 "[ . 1 . 2 ]" 93 . 1 19 CYS O 1 19 CYS C 1 20 CYS N 1 20 CYS CA -10.00 10.00 10.24 7.35 10.85 0.85 10 0 "[ . 1 . 2 ]" 94 . 1 20 CYS CA 1 20 CYS C 1 21 ARG N 1 21 ARG CA 170.00 -170.00 -174.65 -173.80 -176.47 3.32 23 0 "[ . 1 . 2 ]" 95 . 1 20 CYS O 1 20 CYS C 1 21 ARG N 1 21 ARG H 170.00 -170.00 -172.58 169.52 -170.05 0.48 23 0 "[ . 1 . 2 ]" 96 . 1 20 CYS CA 1 20 CYS C 1 21 ARG N 1 21 ARG H -10.00 10.00 9.12 11.29 11.07 1.50 2 0 "[ . 1 . 2 ]" 97 . 1 20 CYS O 1 20 CYS C 1 21 ARG N 1 21 ARG CA -10.00 10.00 3.65 4.30 1.92 3.18 10 0 "[ . 1 . 2 ]" 98 . 1 21 ARG CA 1 21 ARG C 1 22 GLY N 1 22 GLY CA 170.00 -170.00 -176.95 169.93 -169.19 0.81 15 0 "[ . 1 . 2 ]" 99 . 1 21 ARG O 1 21 ARG C 1 22 GLY N 1 22 GLY H 170.00 -170.00 171.04 178.46 172.10 0.44 15 0 "[ . 1 . 2 ]" 100 . 1 21 ARG CA 1 21 ARG C 1 22 GLY N 1 22 GLY H -10.00 10.00 -10.64 -6.24 -10.27 1.98 10 0 "[ . 1 . 2 ]" 101 . 1 21 ARG O 1 21 ARG C 1 22 GLY N 1 22 GLY CA -10.00 10.00 4.72 -5.37 10.65 0.65 15 0 "[ . 1 . 2 ]" 102 . 1 22 GLY CA 1 22 GLY C 1 23 ARG N 1 23 ARG CA 170.00 -170.00 -171.49 170.18 -168.45 1.55 16 0 "[ . 1 . 2 ]" 103 . 1 22 GLY O 1 22 GLY C 1 23 ARG N 1 23 ARG H 170.00 -170.00 172.54 -176.68 177.79 0.08 22 0 "[ . 1 . 2 ]" 104 . 1 22 GLY CA 1 22 GLY C 1 23 ARG N 1 23 ARG H -10.00 10.00 -6.69 2.56 0.09 0.22 23 0 "[ . 1 . 2 ]" 105 . 1 22 GLY O 1 22 GLY C 1 23 ARG N 1 23 ARG CA -10.00 10.00 7.73 -7.26 10.05 0.05 16 0 "[ . 1 . 2 ]" 106 . 1 23 ARG CA 1 23 ARG C 1 24 PRO N 1 24 PRO CA 170.00 -170.00 -179.99 168.95 -170.09 1.05 2 0 "[ . 1 . 2 ]" 107 . 1 23 ARG O 1 23 ARG C 1 24 PRO N 1 24 PRO CD 170.00 -170.00 175.98 169.72 -177.86 0.28 22 0 "[ . 1 . 2 ]" 108 . 1 23 ARG CA 1 23 ARG C 1 24 PRO N 1 24 PRO CD -10.00 10.00 -5.60 -10.55 2.47 0.55 3 0 "[ . 1 . 2 ]" 109 . 1 23 ARG O 1 23 ARG C 1 24 PRO N 1 24 PRO CA -10.00 10.00 1.59 -10.13 9.98 0.13 2 0 "[ . 1 . 2 ]" 110 . 1 24 PRO CA 1 24 PRO C 1 25 CYS N 1 25 CYS CA 170.00 -170.00 177.55 176.66 174.98 0.28 7 0 "[ . 1 . 2 ]" 111 . 1 24 PRO O 1 24 PRO C 1 25 CYS N 1 25 CYS H 170.00 -170.00 179.85 173.10 -174.33 . . 0 "[ . 1 . 2 ]" 112 . 1 24 PRO CA 1 24 PRO C 1 25 CYS N 1 25 CYS H -10.00 10.00 -0.05 -4.69 3.27 . . 0 "[ . 1 . 2 ]" 113 . 1 24 PRO O 1 24 PRO C 1 25 CYS N 1 25 CYS CA -10.00 10.00 -2.55 -4.32 -5.21 . . 0 "[ . 1 . 2 ]" 114 . 1 25 CYS CA 1 25 CYS C 1 26 ARG N 1 26 ARG CA 170.00 -170.00 174.60 169.53 -173.21 0.47 15 0 "[ . 1 . 2 ]" 115 . 1 25 CYS O 1 25 CYS C 1 26 ARG N 1 26 ARG H 170.00 -170.00 -170.18 -172.19 -169.47 0.53 12 0 "[ . 1 . 2 ]" 116 . 1 25 CYS CA 1 25 CYS C 1 26 ARG N 1 26 ARG H -10.00 10.00 10.05 9.25 10.88 0.88 20 0 "[ . 1 . 2 ]" 117 . 1 25 CYS O 1 25 CYS C 1 26 ARG N 1 26 ARG CA -10.00 10.00 -5.63 -10.21 4.14 0.21 12 0 "[ . 1 . 2 ]" 118 . 1 26 ARG CA 1 26 ARG C 1 27 CYS N 1 27 CYS CA 170.00 -170.00 -169.39 -168.44 -168.47 2.45 12 0 "[ . 1 . 2 ]" 119 . 1 26 ARG O 1 26 ARG C 1 27 CYS N 1 27 CYS H 170.00 -170.00 178.62 178.38 178.31 . . 0 "[ . 1 . 2 ]" 120 . 1 26 ARG CA 1 26 ARG C 1 27 CYS N 1 27 CYS H -10.00 10.00 -0.18 -0.19 -0.27 . . 0 "[ . 1 . 2 ]" 121 . 1 26 ARG O 1 26 ARG C 1 27 CYS N 1 27 CYS CA -10.00 10.00 9.41 -10.67 10.70 0.70 6 0 "[ . 1 . 2 ]" 122 . 1 27 CYS CA 1 27 CYS C 1 28 SER N 1 28 SER CA 170.00 -170.00 176.12 172.14 169.98 0.73 1 0 "[ . 1 . 2 ]" 123 . 1 27 CYS O 1 27 CYS C 1 28 SER N 1 28 SER H 170.00 -170.00 -179.41 176.11 -170.49 . . 0 "[ . 1 . 2 ]" 124 . 1 27 CYS CA 1 27 CYS C 1 28 SER N 1 28 SER H -10.00 10.00 0.16 -5.04 10.54 0.54 6 0 "[ . 1 . 2 ]" 125 . 1 27 CYS O 1 27 CYS C 1 28 SER N 1 28 SER CA -10.00 10.00 -3.44 -6.08 -7.43 . . 0 "[ . 1 . 2 ]" 126 . 1 28 SER CA 1 28 SER C 1 29 MET N 1 29 MET CA 170.00 -170.00 -174.77 169.85 -169.92 0.15 21 0 "[ . 1 . 2 ]" 127 . 1 28 SER O 1 28 SER C 1 29 MET N 1 29 MET H 170.00 -170.00 -171.37 -173.63 -169.88 0.12 21 0 "[ . 1 . 2 ]" 128 . 1 28 SER CA 1 28 SER C 1 29 MET N 1 29 MET H -10.00 10.00 10.49 10.52 10.52 0.80 22 0 "[ . 1 . 2 ]" 129 . 1 28 SER O 1 28 SER C 1 29 MET N 1 29 MET CA -10.00 10.00 3.36 -10.09 7.34 0.09 21 0 "[ . 1 . 2 ]" 130 . 1 29 MET CA 1 29 MET C 1 30 ILE N 1 30 ILE CA 170.00 -170.00 176.71 169.23 -177.44 0.77 21 0 "[ . 1 . 2 ]" 131 . 1 29 MET O 1 29 MET C 1 30 ILE N 1 30 ILE H 170.00 -170.00 -174.47 -172.52 -172.83 1.22 21 0 "[ . 1 . 2 ]" 132 . 1 29 MET CA 1 29 MET C 1 30 ILE N 1 30 ILE H -10.00 10.00 5.34 7.44 7.35 1.28 21 0 "[ . 1 . 2 ]" 133 . 1 29 MET O 1 29 MET C 1 30 ILE N 1 30 ILE CA -10.00 10.00 -3.10 -10.83 1.99 0.83 21 0 "[ . 1 . 2 ]" 134 . 1 30 ILE CA 1 30 ILE C 1 31 GLY N 1 31 GLY CA 170.00 -170.00 -173.69 -172.60 -174.28 0.42 16 0 "[ . 1 . 2 ]" 135 . 1 30 ILE O 1 30 ILE C 1 31 GLY N 1 31 GLY H 170.00 -170.00 175.40 173.09 172.14 0.56 21 0 "[ . 1 . 2 ]" 136 . 1 30 ILE CA 1 30 ILE C 1 31 GLY N 1 31 GLY H -10.00 10.00 -4.30 -7.09 -8.52 . . 0 "[ . 1 . 2 ]" 137 . 1 30 ILE O 1 30 ILE C 1 31 GLY N 1 31 GLY CA -10.00 10.00 6.00 7.32 6.08 . . 0 "[ . 1 . 2 ]" 138 . 1 31 GLY CA 1 31 GLY C 1 32 THR N 1 32 THR CA 170.00 -170.00 172.72 166.60 -169.81 3.40 21 0 "[ . 1 . 2 ]" 139 . 1 31 GLY O 1 31 GLY C 1 32 THR N 1 32 THR H 170.00 -170.00 -172.18 -170.82 -171.21 0.13 5 0 "[ . 1 . 2 ]" 140 . 1 31 GLY CA 1 31 GLY C 1 32 THR N 1 32 THR H -10.00 10.00 8.31 -2.90 10.15 0.15 18 0 "[ . 1 . 2 ]" 141 . 1 31 GLY O 1 31 GLY C 1 32 THR N 1 32 THR CA -10.00 10.00 -7.76 -10.59 8.54 0.59 21 0 "[ . 1 . 2 ]" 142 . 1 32 THR CA 1 32 THR C 1 33 ASN N 1 33 ASN CA 170.00 -170.00 -174.06 -174.55 -175.26 3.07 21 0 "[ . 1 . 2 ]" 143 . 1 32 THR O 1 32 THR C 1 33 ASN N 1 33 ASN H 170.00 -170.00 173.43 170.48 170.03 0.98 20 0 "[ . 1 . 2 ]" 144 . 1 32 THR CA 1 32 THR C 1 33 ASN N 1 33 ASN H -10.00 10.00 -5.77 -8.30 -8.97 1.35 19 0 "[ . 1 . 2 ]" 145 . 1 32 THR O 1 32 THR C 1 33 ASN N 1 33 ASN CA -10.00 10.00 5.13 4.82 3.88 0.78 21 0 "[ . 1 . 2 ]" 146 . 1 33 ASN CA 1 33 ASN C 1 34 CYS N 1 34 CYS CA 170.00 -170.00 -173.80 176.90 -169.52 0.48 7 0 "[ . 1 . 2 ]" 147 . 1 33 ASN O 1 33 ASN C 1 34 CYS N 1 34 CYS H 170.00 -170.00 170.37 170.34 169.89 0.46 20 0 "[ . 1 . 2 ]" 148 . 1 33 ASN CA 1 33 ASN C 1 34 CYS N 1 34 CYS H -10.00 10.00 -9.83 -11.03 -8.60 1.03 20 0 "[ . 1 . 2 ]" 149 . 1 33 ASN O 1 33 ASN C 1 34 CYS N 1 34 CYS CA -10.00 10.00 6.40 -3.17 10.50 0.50 22 0 "[ . 1 . 2 ]" 150 . 1 34 CYS CA 1 34 CYS C 1 35 GLU N 1 35 GLU CA 170.00 -170.00 173.26 171.44 169.95 1.86 1 0 "[ . 1 . 2 ]" 151 . 1 34 CYS O 1 34 CYS C 1 35 GLU N 1 35 GLU H 170.00 -170.00 -177.28 177.21 -170.53 . . 0 "[ . 1 . 2 ]" 152 . 1 34 CYS CA 1 34 CYS C 1 35 GLU N 1 35 GLU H -10.00 10.00 3.08 -2.85 10.13 0.13 12 0 "[ . 1 . 2 ]" 153 . 1 34 CYS O 1 34 CYS C 1 35 GLU N 1 35 GLU CA -10.00 10.00 -7.09 -9.05 -9.99 0.46 1 0 "[ . 1 . 2 ]" 154 . 1 35 GLU CA 1 35 GLU C 1 36 CYS N 1 36 CYS CA 170.00 -170.00 -175.48 -174.71 -175.61 0.90 3 0 "[ . 1 . 2 ]" 155 . 1 35 GLU O 1 35 GLU C 1 36 CYS N 1 36 CYS H 170.00 -170.00 -169.63 -171.76 -168.74 1.26 15 0 "[ . 1 . 2 ]" 156 . 1 35 GLU CA 1 35 GLU C 1 36 CYS N 1 36 CYS H -10.00 10.00 10.72 10.15 11.42 1.42 18 0 "[ . 1 . 2 ]" 157 . 1 35 GLU O 1 35 GLU C 1 36 CYS N 1 36 CYS CA -10.00 10.00 4.17 7.60 6.67 0.16 3 0 "[ . 1 . 2 ]" 158 . 1 36 CYS CA 1 36 CYS C 1 37 THR N 1 37 THR CA 170.00 -170.00 176.41 167.99 -169.83 2.01 23 0 "[ . 1 . 2 ]" 159 . 1 36 CYS O 1 36 CYS C 1 37 THR N 1 37 THR H 170.00 -170.00 176.37 169.72 -176.49 0.28 9 0 "[ . 1 . 2 ]" 160 . 1 36 CYS CA 1 36 CYS C 1 37 THR N 1 37 THR H -10.00 10.00 -2.73 -10.85 3.05 0.85 8 0 "[ . 1 . 2 ]" 161 . 1 36 CYS O 1 36 CYS C 1 37 THR N 1 37 THR CA -10.00 10.00 -4.49 -10.67 7.52 0.67 8 0 "[ . 1 . 2 ]" 162 . 1 37 THR CA 1 37 THR C 1 38 PRO N 1 38 PRO CA 170.00 -170.00 177.43 168.86 -171.29 1.14 8 0 "[ . 1 . 2 ]" 163 . 1 37 THR O 1 37 THR C 1 38 PRO N 1 38 PRO CD 170.00 -170.00 175.92 170.47 -177.53 . . 0 "[ . 1 . 2 ]" 164 . 1 37 THR CA 1 37 THR C 1 38 PRO N 1 38 PRO CD -10.00 10.00 -5.80 -10.87 3.56 0.87 21 0 "[ . 1 . 2 ]" 165 . 1 37 THR O 1 37 THR C 1 38 PRO N 1 38 PRO CA -10.00 10.00 -0.85 -9.37 8.24 . . 0 "[ . 1 . 2 ]" 166 . 1 38 PRO CA 1 38 PRO C 1 39 ARG N 1 39 ARG CA 170.00 -170.00 -178.71 -172.98 -174.84 0.92 7 0 "[ . 1 . 2 ]" 167 . 1 38 PRO O 1 38 PRO C 1 39 ARG N 1 39 ARG H 170.00 -170.00 -179.48 179.19 -177.93 . . 0 "[ . 1 . 2 ]" 168 . 1 38 PRO CA 1 38 PRO C 1 39 ARG N 1 39 ARG H -10.00 10.00 -0.03 0.85 0.72 . . 0 "[ . 1 . 2 ]" 169 . 1 38 PRO O 1 38 PRO C 1 39 ARG N 1 39 ARG CA -10.00 10.00 1.83 6.34 3.41 0.31 9 0 "[ . 1 . 2 ]" 170 . 1 39 ARG CA 1 39 ARG C 1 40 LEU N 1 40 LEU CA 170.00 -170.00 179.13 169.16 -168.38 1.62 17 0 "[ . 1 . 2 ]" 171 . 1 39 ARG O 1 39 ARG C 1 40 LEU N 1 40 LEU H 170.00 -170.00 -179.82 178.91 -178.57 . . 0 "[ . 1 . 2 ]" 172 . 1 39 ARG CA 1 39 ARG C 1 40 LEU N 1 40 LEU H -10.00 10.00 -0.19 -3.48 3.86 . . 0 "[ . 1 . 2 ]" 173 . 1 39 ARG O 1 39 ARG C 1 40 LEU N 1 40 LEU CA -10.00 10.00 -0.50 -8.63 9.02 . . 0 "[ . 1 . 2 ]" stop_ save_
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