data_2mf8_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2mf8 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 30.5 tp . . . . . 1 CA--C 1.659 5.166 0 CA-C-O 113.391 -3.195 . . . . 0.029999999999999999 106.937 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 2.4 mp -80.23 -35.14 36.59 Favored 'General case' 1 C--N 1.237 -4.318 0 CA-C-O 114.153 -2.832 . . . . 0.029999999999999999 106.051 -175.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' THR . . . . . 0.468 HG21 ' HB3' ' A' ' 821' ' ' ARG . 1.6 m -83.86 -61.8 1.73 Allowed 'General case' 1 C--N 1.237 -4.292 0 O-C-N 125.406 1.691 . . . . 0.02 110.829 -178.479 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.67 156.66 35.27 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.711 -0.677 . . . . 0.029999999999999999 109.294 177.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -66.05 -15.92 50.41 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.774 2.316 . . . . 0.029999999999999999 112.974 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.04 117.04 38.66 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.574 -0.285 . . . . 0.029999999999999999 110.879 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.33 -39.14 39.24 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.94 2.427 . . . . 0.029999999999999999 113.306 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . -69.51 -33.97 73.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.843 -0.694 . . . . 0.029999999999999999 112.39 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' CYS . . . . . 0.656 ' SG ' ' HD2' ' A' ' 827' ' ' PRO . 22.7 t -82.16 157.52 23.98 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.974 0.416 . . . . 0.029999999999999999 110.104 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.32 -12.87 12.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.177 -0.465 . . . . 0.029999999999999999 110.642 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . 0.419 ' HA3' ' CB ' ' A' ' 801' ' ' THR . . . 104.44 -17.19 47.48 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.519 -0.848 . . . . 0.029999999999999999 113.272 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 11.7 m -87.95 149.05 24.28 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.295 -0.261 . . . . 0.029999999999999999 110.295 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' GLY . . . . . . . . . . . . . . . 83.39 178.05 51.98 Favored Glycine 0 CA--C 1.492 -1.395 0 O-C-N 117.598 -3.188 . . . . 0.040000000000000001 109.946 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' HIS . . . . . 0.6 ' CD2' ' HB2' ' A' ' 817' ' ' TYR . 0.3 OUTLIER -152.6 167.05 30.16 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.882 -0.785 . . . . 0.059999999999999998 108.882 -178.825 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.9 tt -62.34 -44.64 99.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 CA-C-O 121.16 0.505 . . . . 1.97 109.909 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' THR . . . . . 0.764 HG23 ' OP1' ' B' ' 5' ' ' ' DA' . 4.9 t -89.13 -17.11 29.87 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.861 -0.608 . . . . 0.059999999999999998 110.461 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 815' ' ' GLY . . . . . . . . . . . . . . . 73.27 11.25 79.5 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 116.086 -0.506 . . . . 0.050000000000000003 113.089 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 816' ' ' ASN . . . . . 0.807 ' HA ' ' NE2' ' A' ' 840' ' ' HIS . 4.4 m-20 -87.65 1.11 54.6 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 120.713 0.292 . . . . 0.48999999999999999 111.674 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' TYR . . . . . 0.678 ' CE1' " H4'" ' B' ' 5' ' ' ' DA' . 70.2 m-85 -152.75 -165.14 2.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.017 -0.538 . . . . 0.080000000000000002 111.595 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -141.77 -40.48 0.37 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.146 -0.479 . . . . 0.080000000000000002 111.226 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.06 119.38 10.03 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 116.026 -0.534 . . . . 0.080000000000000002 112.156 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' HIS . . . . . 0.556 ' HB2' ' HB2' ' A' ' 824' ' ' SER . 0.3 OUTLIER -165.07 123.44 1.68 Allowed 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 116.092 -0.504 . . . . 0.040000000000000001 110.631 179.182 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' ARG . . . . . 0.821 ' HE ' ' H61' ' B' ' 7' ' ' ' DA' . 0.0 OUTLIER -144.42 4.82 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.515 . . . . 0.089999999999999997 112.155 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' SER . . . . . 0.703 ' HB2' ' H71' ' C' ' 20' ' ' ' DT' . 77.4 p -142.22 -132.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.49 0.494 . . . . 0.20000000000000001 112.058 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' LEU . . . . . 0.899 HD12 ' H71' ' C' ' 21' ' ' ' DT' . 0.0 OUTLIER -85.27 55.03 3.32 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.064 -0.717 . . . . 1.3500000000000001 109.064 179.071 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' SER . . . . . 0.556 ' HB2' ' HB2' ' A' ' 820' ' ' HIS . 4.9 m -104.55 -79.42 0.55 Allowed 'General case' 0 N--CA 1.433 -1.299 0 CA-C-O 118.545 -0.741 . . . . 0.31 111.384 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . 0.439 ' HA3' ' OP2' ' B' ' 5' ' ' ' DA' . . . -169.86 83.51 0.09 OUTLIER Glycine 0 N--CA 1.475 1.273 0 C-N-CA 118.793 -1.67 . . . . 0.040000000000000001 114.916 -175.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' CYS . . . . . . . . . . . . . 20.2 m -80.01 114.61 47.93 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 114.52 -0.84 . . . . 0.029999999999999999 109.326 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' PRO . . . . . 0.656 ' HD2' ' SG ' ' A' ' 807' ' ' CYS . 74.1 Cg_endo -73.91 63.0 4.94 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 122.66 2.24 . . . . 0.029999999999999999 114.162 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 1.542 ' CD2' ' CG ' ' A' ' 828' ' ' LEU . 37.7 mt -72.51 -76.8 0.11 Allowed 'General case' 2 N--CA 1.571 5.582 0 CA-C-O 114.309 -2.758 . . . . 0.040000000000000001 108.968 173.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -87.99 -46.98 8.89 Favored 'General case' 1 N--CA 1.351 -5.38 0 N-CA-C 103.693 -2.706 . . . . 0.040000000000000001 103.693 -170.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' ASP . . . . . . . . . . . . . 1.8 t70 63.62 -168.53 0.2 Allowed 'General case' 0 C--O 1.295 3.498 0 O-C-N 125.491 1.744 . . . . 0.040000000000000001 111.235 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' LYS . . . . . 1.585 ' CG ' ' CB ' ' A' ' 831' ' ' LYS . 0.0 OUTLIER -143.56 15.44 1.8 Allowed 'General case' 2 CA--C 1.643 4.549 0 O-C-N 118.953 -2.342 . . . . 0.050000000000000003 108.113 179.165 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 28.4 t 71.76 99.68 0.07 Allowed 'General case' 0 C--N 1.25 -3.746 1 O-C-N 129.708 4.38 . . . . 0.040000000000000001 109.593 174.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 833' ' ' LEU . . . . . 1.518 ' CD1' ' CG ' ' A' ' 833' ' ' LEU . 32.3 tp -168.5 90.95 0.28 Allowed 'General case' 1 C--O 1.399 8.966 0 CA-C-O 114.085 -2.864 . . . . 0.040000000000000001 108.519 176.485 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 834' ' ' ARG . . . . . 1.515 ' CG ' ' CB ' ' A' ' 834' ' ' ARG . 0.4 OUTLIER -142.4 -87.14 0.15 Allowed 'General case' 3 C--O 1.129 -5.253 0 CA-C-N 122.47 2.395 . . . . 0.040000000000000001 108.977 173.536 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . 0.286 9.7 m120 45.22 -124.9 1.13 Allowed 'General case' 2 C--O 1.08 -7.821 1 CA-C-O 131.818 5.58 . . . . 0.040000000000000001 108.929 -170.341 . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 1.563 ' CG ' ' CD2' ' A' ' 836' ' ' LEU . 97.8 mt -107.71 40.48 1.71 Allowed 'General case' 2 C--O 1.358 6.764 2 CA-C-O 107.372 -6.061 . . . . 0.040000000000000001 108.116 -178.142 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 837' ' ' MET . . . . . . . . . . . . . 8.2 ttt -71.71 97.22 1.72 Allowed 'General case' 1 C--N 1.082 -11.06 1 O-C-N 130.976 5.172 . . . . 0.040000000000000001 110.678 -179.821 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -81.65 -163.69 0.68 Allowed 'General case' 1 C--O 1.127 -5.378 0 CA-C-O 124.397 2.046 . . . . 0.040000000000000001 108.764 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . 56.79 56.27 5.59 Favored 'General case' 2 C--O 1.33 5.323 0 CA-C-O 112.888 -3.434 . . . . 0.050000000000000003 107.603 178.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 840' ' ' HIS . . . . . 0.807 ' NE2' ' HA ' ' A' ' 816' ' ' ASN . 2.3 m-70 -126.5 104.69 8.27 Favored 'General case' 1 C--N 1.163 -7.523 0 O-C-N 126.72 2.512 . . . . 0.040000000000000001 110.882 178.63 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 841' ' ' SER . . . . . . . . . . . . . 3.2 p -78.85 104.43 9.47 Favored 'General case' 1 C--N 1.211 -5.451 0 CA-C-O 117.519 -1.229 . . . . 0.040000000000000001 108.18 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -143.4 135.21 26.57 Favored 'General case' 2 C--O 1.425 10.309 1 CA-C-O 101.976 -8.63 . . . . 0.040000000000000001 113.665 172.122 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . 0.699 ' OD1' ' HG3' ' A' ' 845' ' ' LYS . 21.1 t0 -98.17 110.74 23.27 Favored 'General case' 1 C--N 1.035 -13.092 0 O-C-N 128.904 3.878 . . . . 0.029999999999999999 111.506 170.491 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . . . . . . . . 0.25 10.2 tp -86.45 -24.4 25.65 Favored 'General case' 1 C--O 1.309 4.214 1 CA-C-O 109.662 -4.97 . . . . 0.029999999999999999 107.262 177.151 . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . 0.699 ' HG3' ' OD1' ' A' ' 843' ' ' ASP . 2.5 pttp -106.83 -162.72 0.86 Allowed 'General case' 1 C--N 0.984 -15.312 1 O-C-N 130.757 5.036 . . . . 0.029999999999999999 110.342 -172.902 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 846' ' ' CYS . . . . . 1.028 ' SG ' ' NE2' ' A' ' 864' ' ' HIS . 0.8 OUTLIER -79.9 158.14 73.1 Favored Pre-proline 0 C--N 1.38 1.926 0 O-C-N 121.607 -0.683 . . . . 0.029999999999999999 110.332 -175.345 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 847' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -66.36 -15.62 48.66 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.39 2.06 . . . . 0.040000000000000001 112.552 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 848' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 873' ' ' ALA . 0.2 OUTLIER -66.56 116.68 36.79 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.414 -0.357 . . . . 0.040000000000000001 111.04 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 849' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.6 -39.96 40.87 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.828 2.352 . . . . 0.040000000000000001 113.457 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -68.65 -34.5 78.58 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.948 -0.644 . . . . 0.040000000000000001 112.513 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . 0.781 ' SG ' ' CE1' ' A' ' 864' ' ' HIS . 45.7 t -79.39 157.92 27.49 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.787 -0.449 . . . . 0.040000000000000001 109.787 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.43 -11.25 11.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.728 0.299 . . . . 0.029999999999999999 110.446 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 853' ' ' GLY . . . . . . . . . . . . . . . 103.08 -17.04 53.22 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.703 -0.76 . . . . 0.029999999999999999 112.901 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 12.3 m -88.32 136.31 33.04 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.001 -0.37 . . . . 0.029999999999999999 110.001 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 79.19 155.81 9.67 Favored Glycine 0 N--CA 1.421 -2.341 0 O-C-N 126.82 2.575 . . . . 0.029999999999999999 111.526 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 856' ' ' HIS . . . . . 0.434 ' CD2' ' HB2' ' A' ' 861' ' ' TYR . 0.3 OUTLIER -118.62 170.8 8.66 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 120.646 -0.422 . . . . 0.070000000000000007 111.669 178.284 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 857' ' ' ILE . . . . . . . . . . . . . 10.6 tt -59.59 -41.37 84.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.797 -0.638 . . . . 1.96 110.409 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 858' ' ' THR . . . . . . . . . . . . . 4.5 t -91.42 -16.58 27.14 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.205 0.526 . . . . 0.059999999999999998 110.271 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . 72.6 13.83 77.82 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.827 -0.624 . . . . 0.050000000000000003 113.044 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -89.89 -8.99 50.59 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.9 0.381 . . . . 0.5 111.445 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 861' ' ' TYR . . . . . 0.865 ' CD1' H5'' ' C' ' 16' ' ' ' DG' . 66.8 m-85 -142.27 -165.95 2.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.373 -0.831 . . . . 0.080000000000000002 112.071 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -140.6 -37.03 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.999 -0.546 . . . . 0.070000000000000007 111.476 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.36 120.27 15.77 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 111.735 0.272 . . . . 0.080000000000000002 111.735 -178.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 864' ' ' HIS . . . . . 1.079 ' NE2' ' SG ' ' A' ' 870' ' ' CYS . 0.1 OUTLIER -160.59 123.63 3.36 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.808 0.843 . . . . 0.040000000000000001 109.074 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 865' ' ' ARG . . . . . 0.711 ' NE ' ' H61' ' C' ' 18' ' ' ' DA' . 0.0 OUTLIER -147.17 9.06 0.95 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.156 -0.475 . . . . 0.080000000000000002 111.791 178.839 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 866' ' ' SER . . . . . 0.938 ' HB2' ' H71' ' B' ' 9' ' ' ' DT' . 69.0 p -147.55 -128.06 0.06 Allowed 'General case' 0 C--O 1.234 0.274 0 C-N-CA 121.21 -0.196 . . . . 0.20000000000000001 110.937 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 867' ' ' LEU . . . . . 0.899 HD12 ' H71' ' B' ' 10' ' ' ' DT' . 0.0 OUTLIER -90.06 55.3 3.06 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.206 -0.664 . . . . 1.3600000000000001 109.206 179.375 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 868' ' ' SER . . . . . 0.597 ' HG ' ' H61' ' C' ' 17' ' ' ' DA' . 4.0 m -106.84 -77.05 0.6 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.983 -0.553 . . . . 0.38 111.661 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -170.61 85.2 0.08 OUTLIER Glycine 0 CA--C 1.532 1.142 0 C-N-CA 119.17 -1.491 . . . . 0.059999999999999998 115.264 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 870' ' ' CYS . . . . . 1.079 ' SG ' ' NE2' ' A' ' 864' ' ' HIS . 3.2 m -86.21 112.47 46.07 Favored Pre-proline 0 C--N 1.318 -0.772 0 C-N-CA 124.843 1.257 . . . . 0.040000000000000001 110.073 177.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 871' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -82.92 43.02 1.4 Allowed 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.923 2.415 . . . . 0.040000000000000001 114.456 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 872' ' ' ARG . . . . . 1.55 ' CG ' ' CB ' ' A' ' 872' ' ' ARG . 3.4 tpt180 176.09 -173.29 0.09 Allowed 'General case' 1 C--O 1.053 -9.27 0 O-C-N 125.775 1.922 . . . . 0.040000000000000001 108.217 -177.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . 0.659 ' O ' HG22 ' A' ' 848' ' ' THR . . . . . . . . 1 C--O 1.091 -7.247 0 CA-C-N 112.444 -2.162 . . . . 0.040000000000000001 105.657 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . 0.608 " H1'" " H5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.459 1.192 0 C4'-C3'-O3' 116.44 2.791 . . . . 0.17000000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.751 H2'' ' OP2' ' B' ' 3' ' ' ' DC' . . . . . . . . 1 P--O3' 1.273 -27.858 3 P-O3'-C3' 98.733 -17.473 . . . . 0.14999999999999999 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.755 H2'' ' OP2' ' B' ' 4' ' ' ' DG' . . . . . . . . 1 P--O3' 1.458 -12.396 3 P-O3'-C3' 100.744 -15.797 . . . . 0.12 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.831 H2'' ' OP2' ' B' ' 5' ' ' ' DA' . . . . . . . . 1 P--O3' 1.453 -12.843 3 P-O3'-C3' 101.525 -15.146 . . . . 0.080000000000000002 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . 0.895 H2'' ' OP2' ' B' ' 6' ' ' ' DA' . . . . . . . . 1 P--O3' 1.514 -7.754 4 OP1-P-O3' 77.774 -9.258 . . . . 0.050000000000000003 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.895 ' OP2' H2'' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 P--O3' 1.624 1.381 0 C5'-C4'-C3' 111.216 -2.323 . . . . 0.070000000000000007 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.89 ' OP2' H2'' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.498 -1.669 0 C5'-C4'-C3' 109.474 -3.484 . . . . 0.080000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 1.028 " H1'" " H5'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.392 -3.037 1 C5'-C4'-C3' 104.458 -6.828 . . . . 0.070000000000000007 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 1.028 " H5'" " H1'" ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.4 -2.408 1 C5'-C4'-C3' 106.267 -5.622 . . . . 0.11 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.927 ' OP2' H2'' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.387 -3.413 1 C5'-C4'-C3' 106.775 -5.283 . . . . 0.97999999999999998 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.738 H2'' ' OP2' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.531 1.339 2 OP1-P-O3' 84.388 -7.191 . . . . 0.070000000000000007 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.738 ' OP2' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 1 P--O3' 1.504 -8.566 4 OP1-P-O3' 78.0 -9.187 . . . . 0.080000000000000002 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . 0.595 " H5'" " H1'" ' B' ' 12' ' ' ' DA' . . . . . . . . 1 P--O3' 1.271 -27.972 3 P-O3'-C3' 98.864 -17.364 . . . . 0.089999999999999997 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ' DG' . . . . . 0.849 H2'' ' OP2' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.531 1.342 0 C4'-C3'-O3' 116.508 2.822 . . . . 0.11 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.849 ' OP2' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 1 P--O3' 1.468 -11.562 4 OP1-P-O3' 76.295 -9.72 . . . . 0.089999999999999997 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . 1.008 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 1 P--O3' 1.265 -28.54 3 P-O3'-C3' 101.089 -15.509 . . . . 0.059999999999999998 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 1.008 ' OP2' H2'' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 P--O5' 1.562 -3.149 1 C5'-C4'-C3' 107.692 -4.672 . . . . 0.070000000000000007 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.878 H2'' ' OP2' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 P--O5' 1.581 -1.198 0 O4'-C1'-C2' 108.3 2.0 . . . . 0.059999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.946 H2'' ' H73' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.457 2.026 0 C4'-C3'-C2' 99.355 -3.845 . . . . 0.059999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.946 ' H73' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 P--O3' 1.635 2.304 0 O3'-P-O5' 108.219 2.22 . . . . 0.089999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.904 ' OP2' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.36 -5.45 1 C5'-C4'-C3' 105.063 -6.424 . . . . 0.97999999999999998 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.722 ' OP2' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.574 -2.739 2 OP1-P-O3' 86.536 -6.52 . . . . 0.080000000000000002 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.843 H2'' ' OP2' ' C' ' 24' ' ' ' DG' . . . . . . . . 1 P--O3' 1.273 -27.868 3 P-O3'-C3' 100.017 -16.403 . . . . 0.080000000000000002 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ' DG' . . . . . 0.843 ' OP2' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 1 P--O3' 1.454 -12.712 3 P-O3'-C3' 101.555 -15.121 . . . . 0.089999999999999997 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.818 H2'' ' OP2' ' C' ' 26' ' ' ' DT' . . . . . . . . 1 P--O3' 1.466 -11.769 3 P-O3'-C3' 100.95 -15.625 . . . . 0.10000000000000001 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.818 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 1 P--O3' 1.469 -11.478 4 OP1-P-O3' 76.205 -9.749 . . . . 0.12 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 30.5 tp . . . . . 1 CA--C 1.659 5.166 0 CA-C-O 113.391 -3.195 . . . . 0.029999999999999999 106.937 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 2.4 mp -80.23 -35.14 36.59 Favored 'General case' 1 C--N 1.237 -4.318 0 CA-C-O 114.153 -2.832 . . . . 0.029999999999999999 106.051 -175.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 801' ' ' THR . . . . . 0.447 ' CB ' ' HA3' ' A' ' 809' ' ' GLY . 1.6 m -83.86 -61.8 1.73 Allowed 'General case' 1 C--N 1.237 -4.292 0 O-C-N 125.406 1.691 . . . . 0.02 110.829 -178.479 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 802' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.67 156.66 35.27 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.711 -0.677 . . . . 0.029999999999999999 109.294 177.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -66.05 -15.92 50.41 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.774 2.316 . . . . 0.029999999999999999 112.974 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.04 117.04 38.66 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.574 -0.285 . . . . 0.029999999999999999 110.879 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 805' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.33 -39.14 39.24 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.94 2.427 . . . . 0.029999999999999999 113.306 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . -69.51 -33.97 73.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.843 -0.694 . . . . 0.029999999999999999 112.39 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 807' ' ' CYS . . . . . 0.665 ' SG ' ' HD2' ' A' ' 827' ' ' PRO . 22.7 t -82.16 157.52 23.98 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.974 0.416 . . . . 0.029999999999999999 110.104 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 808' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.32 -12.87 12.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.177 -0.465 . . . . 0.029999999999999999 110.642 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 809' ' ' GLY . . . . . 0.447 ' HA3' ' CB ' ' A' ' 801' ' ' THR . . . 104.44 -17.19 47.48 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.519 -0.848 . . . . 0.029999999999999999 113.272 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 11.7 m -87.95 149.05 24.28 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.295 -0.261 . . . . 0.029999999999999999 110.295 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 811' ' ' GLY . . . . . . . . . . . . . . . 83.39 178.05 51.98 Favored Glycine 0 CA--C 1.492 -1.395 0 O-C-N 117.598 -3.188 . . . . 0.029999999999999999 109.946 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 812' ' ' HIS . . . . . 0.626 ' CD2' ' HB2' ' A' ' 817' ' ' TYR . 0.3 OUTLIER -152.6 167.05 30.16 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.882 -0.785 . . . . 0.050000000000000003 108.882 -178.825 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.414 ' CG2' " H3'" ' B' ' 4' ' ' ' DG' . 10.9 tt -62.34 -44.64 99.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 CA-C-O 121.16 0.505 . . . . 1.23 109.909 178.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 814' ' ' THR . . . . . 0.863 HG22 ' OP1' ' B' ' 5' ' ' ' DA' . 4.9 t -89.13 -17.11 29.87 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.861 -0.608 . . . . 0.059999999999999998 110.461 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 815' ' ' GLY . . . . . . . . . . . . . . . 73.27 11.25 79.5 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 116.086 -0.506 . . . . 0.040000000000000001 113.089 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 816' ' ' ASN . . . . . 0.809 ' HA ' ' NE2' ' A' ' 840' ' ' HIS . 4.4 m-20 -87.65 1.11 54.6 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 120.713 0.292 . . . . 0.33000000000000002 111.674 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 817' ' ' TYR . . . . . 0.708 ' CE1' " H4'" ' B' ' 5' ' ' ' DA' . 70.2 m-85 -152.75 -165.14 2.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.017 -0.538 . . . . 0.070000000000000007 111.595 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -141.77 -40.48 0.37 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.146 -0.479 . . . . 0.080000000000000002 111.226 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.06 119.38 10.03 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 116.026 -0.534 . . . . 0.070000000000000007 112.156 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 820' ' ' HIS . . . . . 0.597 ' HB2' ' HB2' ' A' ' 824' ' ' SER . 0.3 OUTLIER -165.07 123.44 1.68 Allowed 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 116.092 -0.504 . . . . 0.029999999999999999 110.631 179.182 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 821' ' ' ARG . . . . . 0.856 ' HE ' ' H62' ' B' ' 7' ' ' ' DA' . 0.0 OUTLIER -144.42 4.82 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.515 . . . . 0.080000000000000002 112.155 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 822' ' ' SER . . . . . 0.658 ' HB2' ' H72' ' C' ' 20' ' ' ' DT' . 77.4 p -142.22 -132.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.49 0.494 . . . . 0.11 112.058 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 823' ' ' LEU . . . . . 0.805 HD11 ' H71' ' C' ' 21' ' ' ' DT' . 0.0 OUTLIER -85.27 55.03 3.32 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.064 -0.717 . . . . 0.57999999999999996 109.064 179.071 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 824' ' ' SER . . . . . 0.597 ' HB2' ' HB2' ' A' ' 820' ' ' HIS . 4.9 m -104.55 -79.42 0.55 Allowed 'General case' 0 N--CA 1.433 -1.299 0 CA-C-O 118.545 -0.741 . . . . 0.12 111.384 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 825' ' ' GLY . . . . . 0.447 ' HA3' ' OP2' ' B' ' 5' ' ' ' DA' . . . -169.86 83.51 0.09 OUTLIER Glycine 0 N--CA 1.475 1.273 0 C-N-CA 118.793 -1.67 . . . . 0.040000000000000001 114.916 -175.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 826' ' ' CYS . . . . . . . . . . . . . 20.2 m -80.01 114.61 47.93 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 114.52 -0.84 . . . . 0.029999999999999999 109.326 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 827' ' ' PRO . . . . . 0.665 ' HD2' ' SG ' ' A' ' 807' ' ' CYS . 74.1 Cg_endo -73.91 63.0 4.94 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 122.66 2.24 . . . . 0.029999999999999999 114.162 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 1.542 ' CD2' ' CG ' ' A' ' 828' ' ' LEU . 37.7 mt -72.51 -76.8 0.11 Allowed 'General case' 2 N--CA 1.571 5.582 0 CA-C-O 114.309 -2.758 . . . . 0.029999999999999999 108.968 173.8 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -87.99 -46.98 8.89 Favored 'General case' 1 N--CA 1.351 -5.38 0 N-CA-C 103.693 -2.706 . . . . 0.040000000000000001 103.693 -170.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 830' ' ' ASP . . . . . . . . . . . . . 1.8 t70 63.62 -168.53 0.2 Allowed 'General case' 0 C--O 1.295 3.498 0 O-C-N 125.491 1.744 . . . . 0.040000000000000001 111.235 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 831' ' ' LYS . . . . . 1.585 ' CG ' ' CB ' ' A' ' 831' ' ' LYS . 0.0 OUTLIER -143.56 15.44 1.8 Allowed 'General case' 2 CA--C 1.643 4.549 0 O-C-N 118.953 -2.342 . . . . 0.040000000000000001 108.113 179.165 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 28.4 t 71.76 99.68 0.07 Allowed 'General case' 0 C--N 1.25 -3.746 1 O-C-N 129.708 4.38 . . . . 0.040000000000000001 109.593 174.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 833' ' ' LEU . . . . . 1.518 ' CD1' ' CG ' ' A' ' 833' ' ' LEU . 32.3 tp -168.5 90.95 0.28 Allowed 'General case' 1 C--O 1.399 8.966 0 CA-C-O 114.085 -2.864 . . . . 0.040000000000000001 108.519 176.485 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 834' ' ' ARG . . . . . 1.515 ' CG ' ' CB ' ' A' ' 834' ' ' ARG . 0.4 OUTLIER -142.4 -87.14 0.15 Allowed 'General case' 3 C--O 1.129 -5.253 0 CA-C-N 122.47 2.395 . . . . 0.040000000000000001 108.977 173.536 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . 0.286 9.7 m120 45.22 -124.9 1.13 Allowed 'General case' 2 C--O 1.08 -7.821 1 CA-C-O 131.818 5.58 . . . . 0.040000000000000001 108.929 -170.341 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 1.563 ' CG ' ' CD2' ' A' ' 836' ' ' LEU . 97.8 mt -107.71 40.48 1.71 Allowed 'General case' 2 C--O 1.358 6.764 2 CA-C-O 107.372 -6.061 . . . . 0.040000000000000001 108.116 -178.142 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 837' ' ' MET . . . . . . . . . . . . . 8.2 ttt -71.71 97.22 1.72 Allowed 'General case' 1 C--N 1.082 -11.06 1 O-C-N 130.976 5.172 . . . . 0.040000000000000001 110.678 -179.821 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -81.65 -163.69 0.68 Allowed 'General case' 1 C--O 1.127 -5.378 0 CA-C-O 124.397 2.046 . . . . 0.040000000000000001 108.764 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . 56.79 56.27 5.59 Favored 'General case' 2 C--O 1.33 5.323 0 CA-C-O 112.888 -3.434 . . . . 0.040000000000000001 107.603 178.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 840' ' ' HIS . . . . . 0.809 ' NE2' ' HA ' ' A' ' 816' ' ' ASN . 2.3 m-70 -126.5 104.69 8.27 Favored 'General case' 1 C--N 1.163 -7.523 0 O-C-N 126.72 2.512 . . . . 0.040000000000000001 110.882 178.63 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 841' ' ' SER . . . . . . . . . . . . . 3.2 p -78.85 104.43 9.47 Favored 'General case' 1 C--N 1.211 -5.451 0 CA-C-O 117.519 -1.229 . . . . 0.040000000000000001 108.18 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -143.4 135.21 26.57 Favored 'General case' 2 C--O 1.425 10.309 1 CA-C-O 101.976 -8.63 . . . . 0.029999999999999999 113.665 172.122 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 843' ' ' ASP . . . . . 0.714 ' OD1' ' HG3' ' A' ' 845' ' ' LYS . 21.1 t0 -98.17 110.74 23.27 Favored 'General case' 1 C--N 1.035 -13.092 0 O-C-N 128.904 3.878 . . . . 0.029999999999999999 111.506 170.491 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 844' ' ' LEU 0.25 10.2 tp -86.45 -24.4 25.65 Favored 'General case' 1 C--O 1.309 4.214 1 CA-C-O 109.662 -4.97 . . . . 0.029999999999999999 107.262 177.151 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 845' ' ' LYS . . . . . 0.714 ' HG3' ' OD1' ' A' ' 843' ' ' ASP . 2.5 pttp -106.83 -162.72 0.86 Allowed 'General case' 1 C--N 0.984 -15.312 1 O-C-N 130.757 5.036 . . . . 0.029999999999999999 110.342 -172.902 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 846' ' ' CYS . . . . . 1.028 ' SG ' ' NE2' ' A' ' 864' ' ' HIS . 0.8 OUTLIER -79.9 158.14 73.1 Favored Pre-proline 0 C--N 1.38 1.926 0 O-C-N 121.607 -0.683 . . . . 0.029999999999999999 110.332 -175.345 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 847' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -66.36 -15.62 48.66 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.39 2.06 . . . . 0.040000000000000001 112.552 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 848' ' ' THR . . . . . 0.522 ' HB ' ' HB3' ' A' ' 851' ' ' CYS . 0.2 OUTLIER -66.56 116.68 36.79 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.414 -0.357 . . . . 0.040000000000000001 111.04 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 849' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.6 -39.96 40.87 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.828 2.352 . . . . 0.040000000000000001 113.457 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -68.65 -34.5 78.58 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.948 -0.644 . . . . 0.040000000000000001 112.513 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 851' ' ' CYS . . . . . 0.781 ' SG ' ' CE1' ' A' ' 864' ' ' HIS . 45.7 t -79.39 157.92 27.49 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.787 -0.449 . . . . 0.040000000000000001 109.787 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.43 -11.25 11.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.728 0.299 . . . . 0.029999999999999999 110.446 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 853' ' ' GLY . . . . . . . . . . . . . . . 103.08 -17.04 53.22 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.703 -0.76 . . . . 0.029999999999999999 112.901 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 12.3 m -88.32 136.31 33.04 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.001 -0.37 . . . . 0.029999999999999999 110.001 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 79.19 155.81 9.67 Favored Glycine 0 N--CA 1.421 -2.341 0 O-C-N 126.82 2.575 . . . . 0.029999999999999999 111.526 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 856' ' ' HIS . . . . . 0.459 ' CD2' ' HB2' ' A' ' 861' ' ' TYR . 0.3 OUTLIER -118.62 170.8 8.66 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 120.646 -0.422 . . . . 0.050000000000000003 111.669 178.284 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 857' ' ' ILE . . . . . . . . . . . . . 10.6 tt -59.59 -41.37 84.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.797 -0.638 . . . . 1.22 110.409 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 858' ' ' THR . . . . . 0.551 HG23 ' H ' ' A' ' 860' ' ' ASN . 4.5 t -91.42 -16.58 27.14 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.205 0.526 . . . . 0.059999999999999998 110.271 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . 72.6 13.83 77.82 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.827 -0.624 . . . . 0.050000000000000003 113.044 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 860' ' ' ASN . . . . . 0.551 ' H ' HG23 ' A' ' 858' ' ' THR . 4.8 m-20 -89.89 -8.99 50.59 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.9 0.381 . . . . 0.33000000000000002 111.445 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 861' ' ' TYR . . . . . 0.852 ' CD1' H5'' ' C' ' 16' ' ' ' DG' . 66.8 m-85 -142.27 -165.95 2.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.373 -0.831 . . . . 0.070000000000000007 112.071 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -140.6 -37.03 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.999 -0.546 . . . . 0.070000000000000007 111.476 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.36 120.27 15.77 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 111.735 0.272 . . . . 0.059999999999999998 111.735 -178.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 864' ' ' HIS . . . . . 1.079 ' NE2' ' SG ' ' A' ' 870' ' ' CYS . 0.1 OUTLIER -160.59 123.63 3.36 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.808 0.843 . . . . 0.040000000000000001 109.074 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 865' ' ' ARG . . . . . 0.721 ' NE ' ' H62' ' C' ' 18' ' ' ' DA' . 0.0 OUTLIER -147.17 9.06 0.95 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.156 -0.475 . . . . 0.070000000000000007 111.791 178.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 866' ' ' SER . . . . . 0.431 ' HB2' ' C7 ' ' B' ' 9' ' ' ' DT' . 69.0 p -147.55 -128.06 0.06 Allowed 'General case' 0 C--O 1.234 0.274 0 C-N-CA 121.21 -0.196 . . . . 0.12 110.937 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 867' ' ' LEU . . . . . 1.142 HD11 ' H71' ' B' ' 10' ' ' ' DT' . 0.0 OUTLIER -90.06 55.3 3.06 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.206 -0.664 . . . . 0.60999999999999999 109.206 179.375 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 868' ' ' SER . . . . . 0.486 ' HB2' ' HB2' ' A' ' 864' ' ' HIS . 4.0 m -106.84 -77.05 0.6 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.983 -0.553 . . . . 0.13 111.661 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -170.61 85.2 0.08 OUTLIER Glycine 0 CA--C 1.532 1.142 0 C-N-CA 119.17 -1.491 . . . . 0.040000000000000001 115.264 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 870' ' ' CYS . . . . . 1.079 ' SG ' ' NE2' ' A' ' 864' ' ' HIS . 3.2 m -86.21 112.47 46.07 Favored Pre-proline 0 C--N 1.318 -0.772 0 C-N-CA 124.843 1.257 . . . . 0.040000000000000001 110.073 177.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 871' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -82.92 43.02 1.4 Allowed 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.923 2.415 . . . . 0.040000000000000001 114.456 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 872' ' ' ARG . . . . . 1.55 ' CG ' ' CB ' ' A' ' 872' ' ' ARG . 3.4 tpt180 176.09 -173.29 0.09 Allowed 'General case' 1 C--O 1.053 -9.27 0 O-C-N 125.775 1.922 . . . . 0.040000000000000001 108.217 -177.885 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 873' ' ' ALA . . . . . 0.402 ' C ' HG22 ' A' ' 848' ' ' THR . . . . . . . . 1 C--O 1.091 -7.247 0 CA-C-N 112.444 -2.162 . . . . 0.040000000000000001 105.657 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . 0.561 " H1'" " H5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.459 1.192 0 C4'-C3'-O3' 116.44 2.791 . . . . 0.16 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.746 H2'' ' OP2' ' B' ' 3' ' ' ' DC' . . . . . . . . 1 P--O3' 1.273 -27.858 3 P-O3'-C3' 98.733 -17.473 . . . . 0.14999999999999999 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.755 H2'' ' OP2' ' B' ' 4' ' ' ' DG' . . . . . . . . 1 P--O3' 1.458 -12.396 3 P-O3'-C3' 100.744 -15.797 . . . . 0.12 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.824 H2'' ' OP2' ' B' ' 5' ' ' ' DA' . . . . . . . . 1 P--O3' 1.453 -12.843 3 P-O3'-C3' 101.525 -15.146 . . . . 0.080000000000000002 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . 0.89 H2'' ' OP2' ' B' ' 6' ' ' ' DA' . . . . . . . . 1 P--O3' 1.514 -7.754 4 OP1-P-O3' 77.774 -9.258 . . . . 0.050000000000000003 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.89 ' OP2' H2'' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 P--O3' 1.624 1.381 0 C5'-C4'-C3' 111.216 -2.323 . . . . 0.070000000000000007 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.885 ' OP2' H2'' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.498 -1.669 0 C5'-C4'-C3' 109.474 -3.484 . . . . 0.080000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 1.025 " H1'" " H5'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.392 -3.037 1 C5'-C4'-C3' 104.458 -6.828 . . . . 0.070000000000000007 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 1.025 " H5'" " H1'" ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.4 -2.408 1 C5'-C4'-C3' 106.267 -5.622 . . . . 0.070000000000000007 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 1.142 ' H71' HD11 ' A' ' 867' ' ' LEU . . . . . . . . 0 O3'--C3' 1.387 -3.413 1 C5'-C4'-C3' 106.775 -5.283 . . . . 0.080000000000000002 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.732 H2'' ' OP2' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.531 1.339 2 OP1-P-O3' 84.388 -7.191 . . . . 0.070000000000000007 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.732 ' OP2' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 1 P--O3' 1.504 -8.566 4 OP1-P-O3' 78.0 -9.187 . . . . 0.080000000000000002 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . 0.567 " H5'" " H1'" ' B' ' 12' ' ' ' DA' . . . . . . . . 1 P--O3' 1.271 -27.972 3 P-O3'-C3' 98.864 -17.364 . . . . 0.089999999999999997 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ' DG' . . . . . 0.845 H2'' ' OP2' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.531 1.342 0 C4'-C3'-O3' 116.508 2.822 . . . . 0.10000000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.845 ' OP2' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 1 P--O3' 1.468 -11.562 4 OP1-P-O3' 76.295 -9.72 . . . . 0.089999999999999997 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . 1.002 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 1 P--O3' 1.265 -28.54 3 P-O3'-C3' 101.089 -15.509 . . . . 0.059999999999999998 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 1.002 ' OP2' H2'' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 P--O5' 1.562 -3.149 1 C5'-C4'-C3' 107.692 -4.672 . . . . 0.059999999999999998 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.875 H2'' ' OP2' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 P--O5' 1.581 -1.198 0 O4'-C1'-C2' 108.3 2.0 . . . . 0.059999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.945 H2'' ' H71' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.457 2.026 0 C4'-C3'-C2' 99.355 -3.845 . . . . 0.059999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.945 ' H71' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 P--O3' 1.635 2.304 0 O3'-P-O5' 108.219 2.22 . . . . 0.080000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.895 ' OP2' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.36 -5.45 1 C5'-C4'-C3' 105.063 -6.424 . . . . 0.10000000000000001 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.695 ' OP2' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.574 -2.739 2 OP1-P-O3' 86.536 -6.52 . . . . 0.080000000000000002 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.839 H2'' ' OP2' ' C' ' 24' ' ' ' DG' . . . . . . . . 1 P--O3' 1.273 -27.868 3 P-O3'-C3' 100.017 -16.403 . . . . 0.080000000000000002 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ' DG' . . . . . 0.839 ' OP2' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 1 P--O3' 1.454 -12.712 3 P-O3'-C3' 101.555 -15.121 . . . . 0.089999999999999997 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.813 H2'' ' OP2' ' C' ' 26' ' ' ' DT' . . . . . . . . 1 P--O3' 1.466 -11.769 3 P-O3'-C3' 100.95 -15.625 . . . . 0.10000000000000001 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.813 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 1 P--O3' 1.469 -11.478 4 OP1-P-O3' 76.205 -9.749 . . . . 0.11 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 30.5 tp . . . . . 1 CA--C 1.659 5.166 0 CA-C-O 113.391 -3.195 . . . . 0.03 106.937 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 2.4 mp -80.23 -35.14 36.59 Favored 'General case' 1 C--N 1.237 -4.318 0 CA-C-O 114.153 -2.832 . . . . 0.03 106.051 -175.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' THR . . . . . 0.447 ' CB ' ' HA3' ' A' ' 809' ' ' GLY . 1.6 m -83.86 -61.8 1.73 Allowed 'General case' 1 C--N 1.237 -4.292 0 O-C-N 125.406 1.691 . . . . 0.02 110.829 -178.479 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.67 156.66 35.27 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.711 -0.677 . . . . 0.03 109.294 177.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -66.05 -15.92 50.41 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.774 2.316 . . . . 0.03 112.974 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.04 117.04 38.66 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.574 -0.285 . . . . 0.03 110.879 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.33 -39.14 39.24 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.94 2.427 . . . . 0.03 113.306 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . -69.51 -33.97 73.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.843 -0.694 . . . . 0.03 112.39 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' CYS . . . . . 0.665 ' SG ' ' HD2' ' A' ' 827' ' ' PRO . 22.7 t -82.16 157.52 23.98 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.974 0.416 . . . . 0.03 110.104 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.32 -12.87 12.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.177 -0.465 . . . . 0.03 110.642 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . 0.447 ' HA3' ' CB ' ' A' ' 801' ' ' THR . . . 104.44 -17.19 47.48 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.519 -0.848 . . . . 0.03 113.272 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 11.7 m -87.95 149.05 24.28 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.295 -0.261 . . . . 0.03 110.295 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' GLY . . . . . . . . . . . . . . . 83.39 178.05 51.98 Favored Glycine 0 CA--C 1.492 -1.395 0 O-C-N 117.598 -3.188 . . . . 0.03 109.946 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' HIS . . . . . 0.626 ' CD2' ' HB2' ' A' ' 817' ' ' TYR . 0.3 OUTLIER -152.6 167.05 30.16 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.882 -0.785 . . . . 0.05 108.882 -178.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.414 ' CG2' " H3'" ' B' ' 4' ' ' ' DG' . 10.9 tt -62.34 -44.64 99.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 CA-C-O 121.16 0.505 . . . . 1.23 109.909 178.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . 0.863 HG22 ' OP1' ' B' ' 5' ' ' ' DA' . 4.9 t -89.13 -17.11 29.87 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.861 -0.608 . . . . 0.06 110.461 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 815' ' ' GLY . . . . . . . . . . . . . . . 73.27 11.25 79.5 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 116.086 -0.506 . . . . 0.04 113.089 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 816' ' ' ASN . . . . . 0.809 ' HA ' ' NE2' ' A' ' 840' ' ' HIS . 4.4 m-20 -87.65 1.11 54.6 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 120.713 0.292 . . . . 0.33 111.674 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' TYR . . . . . 0.708 ' CE1' " H4'" ' B' ' 5' ' ' ' DA' . 70.2 m-85 -152.75 -165.14 2.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.017 -0.538 . . . . 0.07 111.595 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -141.77 -40.48 0.37 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.146 -0.479 . . . . 0.08 111.226 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.06 119.38 10.03 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 116.026 -0.534 . . . . 0.07 112.156 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' HIS . . . . . 0.597 ' HB2' ' HB2' ' A' ' 824' ' ' SER . 0.3 OUTLIER -165.07 123.44 1.68 Allowed 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 116.092 -0.504 . . . . 0.03 110.631 179.182 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' ARG . . . . . 0.856 ' HE ' ' H62' ' B' ' 7' ' ' ' DA' . 0.0 OUTLIER -144.42 4.82 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.515 . . . . 0.08 112.155 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' SER . . . . . 0.658 ' HB2' ' H72' ' C' ' 20' ' ' ' DT' . 77.4 p -142.22 -132.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.49 0.494 . . . . 0.11 112.058 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' LEU . . . . . 0.805 HD11 ' H71' ' C' ' 21' ' ' ' DT' . 0.0 OUTLIER -85.27 55.03 3.32 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.064 -0.717 . . . . 0.58 109.064 179.071 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' SER . . . . . 0.597 ' HB2' ' HB2' ' A' ' 820' ' ' HIS . 4.9 m -104.55 -79.42 0.55 Allowed 'General case' 0 N--CA 1.433 -1.299 0 CA-C-O 118.545 -0.741 . . . . 0.12 111.384 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . 0.447 ' HA3' ' OP2' ' B' ' 5' ' ' ' DA' . . . -169.86 83.51 0.09 OUTLIER Glycine 0 N--CA 1.475 1.273 0 C-N-CA 118.793 -1.67 . . . . 0.04 114.916 -175.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' CYS . . . . . . . . . . . . . 20.2 m -80.01 114.61 47.93 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 114.52 -0.84 . . . . 0.03 109.326 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' PRO . . . . . 0.665 ' HD2' ' SG ' ' A' ' 807' ' ' CYS . 74.1 Cg_endo -73.91 63.0 4.94 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 122.66 2.24 . . . . 0.03 114.162 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 1.542 ' CD2' ' CG ' ' A' ' 828' ' ' LEU . 37.7 mt -72.51 -76.8 0.11 Allowed 'General case' 2 N--CA 1.571 5.582 0 CA-C-O 114.309 -2.758 . . . . 0.03 108.968 173.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -87.99 -46.98 8.89 Favored 'General case' 1 N--CA 1.351 -5.38 0 N-CA-C 103.693 -2.706 . . . . 0.04 103.693 -170.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' ASP . . . . . . . . . . . . . 1.8 t70 63.62 -168.53 0.2 Allowed 'General case' 0 C--O 1.295 3.498 0 O-C-N 125.491 1.744 . . . . 0.04 111.235 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' LYS . . . . . 1.585 ' CG ' ' CB ' ' A' ' 831' ' ' LYS . 0.0 OUTLIER -143.56 15.44 1.8 Allowed 'General case' 2 CA--C 1.643 4.549 0 O-C-N 118.953 -2.342 . . . . 0.04 108.113 179.165 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 28.4 t 71.76 99.68 0.07 Allowed 'General case' 0 C--N 1.25 -3.746 1 O-C-N 129.708 4.38 . . . . 0.04 109.593 174.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 833' ' ' LEU . . . . . 1.518 ' CD1' ' CG ' ' A' ' 833' ' ' LEU . 32.3 tp -168.5 90.95 0.28 Allowed 'General case' 1 C--O 1.399 8.966 0 CA-C-O 114.085 -2.864 . . . . 0.04 108.519 176.485 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 834' ' ' ARG . . . . . 1.515 ' CG ' ' CB ' ' A' ' 834' ' ' ARG . 0.4 OUTLIER -142.4 -87.14 0.15 Allowed 'General case' 3 C--O 1.129 -5.253 0 CA-C-N 122.47 2.395 . . . . 0.04 108.977 173.536 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . 0.286 9.7 m120 45.22 -124.9 1.13 Allowed 'General case' 2 C--O 1.08 -7.821 1 CA-C-O 131.818 5.58 . . . . 0.04 108.929 -170.341 . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 1.563 ' CG ' ' CD2' ' A' ' 836' ' ' LEU . 97.8 mt -107.71 40.48 1.71 Allowed 'General case' 2 C--O 1.358 6.764 2 CA-C-O 107.372 -6.061 . . . . 0.04 108.116 -178.142 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 837' ' ' MET . . . . . . . . . . . . . 8.2 ttt -71.71 97.22 1.72 Allowed 'General case' 1 C--N 1.082 -11.06 1 O-C-N 130.976 5.172 . . . . 0.04 110.678 -179.821 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -81.65 -163.69 0.68 Allowed 'General case' 1 C--O 1.127 -5.378 0 CA-C-O 124.397 2.046 . . . . 0.04 108.764 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . 56.79 56.27 5.59 Favored 'General case' 2 C--O 1.33 5.323 0 CA-C-O 112.888 -3.434 . . . . 0.04 107.603 178.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 840' ' ' HIS . . . . . 0.809 ' NE2' ' HA ' ' A' ' 816' ' ' ASN . 2.3 m-70 -126.5 104.69 8.27 Favored 'General case' 1 C--N 1.163 -7.523 0 O-C-N 126.72 2.512 . . . . 0.04 110.882 178.63 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 841' ' ' SER . . . . . . . . . . . . . 3.2 p -78.85 104.43 9.47 Favored 'General case' 1 C--N 1.211 -5.451 0 CA-C-O 117.519 -1.229 . . . . 0.04 108.18 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -143.4 135.21 26.57 Favored 'General case' 2 C--O 1.425 10.309 1 CA-C-O 101.976 -8.63 . . . . 0.03 113.665 172.122 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . 0.714 ' OD1' ' HG3' ' A' ' 845' ' ' LYS . 21.1 t0 -98.17 110.74 23.27 Favored 'General case' 1 C--N 1.035 -13.092 0 O-C-N 128.904 3.878 . . . . 0.03 111.506 170.491 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 844' ' ' LEU 0.25 10.2 tp -86.45 -24.4 25.65 Favored 'General case' 1 C--O 1.309 4.214 1 CA-C-O 109.662 -4.97 . . . . 0.03 107.262 177.151 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . 0.714 ' HG3' ' OD1' ' A' ' 843' ' ' ASP . 2.5 pttp -106.83 -162.72 0.86 Allowed 'General case' 1 C--N 0.984 -15.312 1 O-C-N 130.757 5.036 . . . . 0.03 110.342 -172.902 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 846' ' ' CYS . . . . . 1.028 ' SG ' ' NE2' ' A' ' 864' ' ' HIS . 0.8 OUTLIER -79.9 158.14 73.1 Favored Pre-proline 0 C--N 1.38 1.926 0 O-C-N 121.607 -0.683 . . . . 0.03 110.332 -175.345 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 847' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -66.36 -15.62 48.66 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.39 2.06 . . . . 0.04 112.552 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 848' ' ' THR . . . . . 0.522 ' HB ' ' HB3' ' A' ' 851' ' ' CYS . 0.2 OUTLIER -66.56 116.68 36.79 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.414 -0.357 . . . . 0.04 111.04 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 849' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.6 -39.96 40.87 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.828 2.352 . . . . 0.04 113.457 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -68.65 -34.5 78.58 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.948 -0.644 . . . . 0.04 112.513 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . 0.781 ' SG ' ' CE1' ' A' ' 864' ' ' HIS . 45.7 t -79.39 157.92 27.49 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.787 -0.449 . . . . 0.04 109.787 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.43 -11.25 11.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.728 0.299 . . . . 0.03 110.446 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 853' ' ' GLY . . . . . . . . . . . . . . . 103.08 -17.04 53.22 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.703 -0.76 . . . . 0.03 112.901 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 12.3 m -88.32 136.31 33.04 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.001 -0.37 . . . . 0.03 110.001 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 79.19 155.81 9.67 Favored Glycine 0 N--CA 1.421 -2.341 0 O-C-N 126.82 2.575 . . . . 0.03 111.526 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 856' ' ' HIS . . . . . 0.459 ' CD2' ' HB2' ' A' ' 861' ' ' TYR . 0.3 OUTLIER -118.62 170.8 8.66 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 120.646 -0.422 . . . . 0.05 111.669 178.284 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 857' ' ' ILE . . . . . . . . . . . . . 10.6 tt -59.59 -41.37 84.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.797 -0.638 . . . . 1.22 110.409 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 858' ' ' THR . . . . . 0.551 HG23 ' H ' ' A' ' 860' ' ' ASN . 4.5 t -91.42 -16.58 27.14 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.205 0.526 . . . . 0.06 110.271 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . 72.6 13.83 77.82 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.827 -0.624 . . . . 0.05 113.044 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 860' ' ' ASN . . . . . 0.551 ' H ' HG23 ' A' ' 858' ' ' THR . 4.8 m-20 -89.89 -8.99 50.59 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.9 0.381 . . . . 0.33 111.445 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 861' ' ' TYR . . . . . 0.852 ' CD1' H5'' ' C' ' 16' ' ' ' DG' . 66.8 m-85 -142.27 -165.95 2.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.373 -0.831 . . . . 0.07 112.071 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -140.6 -37.03 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.999 -0.546 . . . . 0.07 111.476 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 863' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.36 120.27 15.77 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 111.735 0.272 . . . . 0.06 111.735 -178.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 864' ' ' HIS . . . . . 1.079 ' NE2' ' SG ' ' A' ' 870' ' ' CYS . 0.1 OUTLIER -160.59 123.63 3.36 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.808 0.843 . . . . 0.04 109.074 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 865' ' ' ARG . . . . . 0.721 ' NE ' ' H62' ' C' ' 18' ' ' ' DA' . 0.0 OUTLIER -147.17 9.06 0.95 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.156 -0.475 . . . . 0.07 111.791 178.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 866' ' ' SER . . . . . 0.431 ' HB2' ' C7 ' ' B' ' 9' ' ' ' DT' . 69.0 p -147.55 -128.06 0.06 Allowed 'General case' 0 C--O 1.234 0.274 0 C-N-CA 121.21 -0.196 . . . . 0.12 110.937 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 867' ' ' LEU . . . . . 1.142 HD11 ' H71' ' B' ' 10' ' ' ' DT' . 0.0 OUTLIER -90.06 55.3 3.06 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.206 -0.664 . . . . 0.61 109.206 179.375 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 868' ' ' SER . . . . . 0.486 ' HB2' ' HB2' ' A' ' 864' ' ' HIS . 4.0 m -106.84 -77.05 0.6 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.983 -0.553 . . . . 0.13 111.661 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -170.61 85.2 0.08 OUTLIER Glycine 0 CA--C 1.532 1.142 0 C-N-CA 119.17 -1.491 . . . . 0.04 115.264 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 870' ' ' CYS . . . . . 1.079 ' SG ' ' NE2' ' A' ' 864' ' ' HIS . 3.2 m -86.21 112.47 46.07 Favored Pre-proline 0 C--N 1.318 -0.772 0 C-N-CA 124.843 1.257 . . . . 0.04 110.073 177.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 871' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -82.92 43.02 1.4 Allowed 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.923 2.415 . . . . 0.04 114.456 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 872' ' ' ARG . . . . . 1.55 ' CG ' ' CB ' ' A' ' 872' ' ' ARG . 3.4 tpt180 176.09 -173.29 0.09 Allowed 'General case' 1 C--O 1.053 -9.27 0 O-C-N 125.775 1.922 . . . . 0.04 108.217 -177.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . 0.402 ' C ' HG22 ' A' ' 848' ' ' THR . . . . . . . . 1 C--O 1.091 -7.247 0 CA-C-N 112.444 -2.162 . . . . 0.04 105.657 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . 0.561 " H1'" " H5'" ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.459 1.192 0 C4'-C3'-O3' 116.44 2.791 . . . . 0.16 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.746 H2'' ' OP2' ' B' ' 3' ' ' ' DC' . . . . . . . . 1 P--O3' 1.273 -27.858 3 P-O3'-C3' 98.733 -17.473 . . . . 0.15 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.755 H2'' ' OP2' ' B' ' 4' ' ' ' DG' . . . . . . . . 1 P--O3' 1.458 -12.396 3 P-O3'-C3' 100.744 -15.797 . . . . 0.12 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.824 H2'' ' OP2' ' B' ' 5' ' ' ' DA' . . . . . . . . 1 P--O3' 1.453 -12.843 3 P-O3'-C3' 101.525 -15.146 . . . . 0.08 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . 0.89 H2'' ' OP2' ' B' ' 6' ' ' ' DA' . . . . . . . . 1 P--O3' 1.514 -7.754 4 OP1-P-O3' 77.774 -9.258 . . . . 0.05 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.89 ' OP2' H2'' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 P--O3' 1.624 1.381 0 C5'-C4'-C3' 111.216 -2.323 . . . . 0.07 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.885 ' OP2' H2'' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.498 -1.669 0 C5'-C4'-C3' 109.474 -3.484 . . . . 0.08 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 1.025 " H1'" " H5'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.392 -3.037 1 C5'-C4'-C3' 104.458 -6.828 . . . . 0.07 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 1.025 " H5'" " H1'" ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.4 -2.408 1 C5'-C4'-C3' 106.267 -5.622 . . . . 0.07 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 1.142 ' H71' HD11 ' A' ' 867' ' ' LEU . . . . . . . . 0 O3'--C3' 1.387 -3.413 1 C5'-C4'-C3' 106.775 -5.283 . . . . 0.08 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.732 H2'' ' OP2' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.531 1.339 2 OP1-P-O3' 84.388 -7.191 . . . . 0.07 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.732 ' OP2' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 1 P--O3' 1.504 -8.566 4 OP1-P-O3' 78.0 -9.187 . . . . 0.08 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . 0.567 " H5'" " H1'" ' B' ' 12' ' ' ' DA' . . . . . . . . 1 P--O3' 1.271 -27.972 3 P-O3'-C3' 98.864 -17.364 . . . . 0.09 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ' DG' . . . . . 0.845 H2'' ' OP2' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.531 1.342 0 C4'-C3'-O3' 116.508 2.822 . . . . 0.1 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.845 ' OP2' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 1 P--O3' 1.468 -11.562 4 OP1-P-O3' 76.295 -9.72 . . . . 0.09 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . 1.002 H2'' ' OP2' ' C' ' 17' ' ' ' DA' . . . . . . . . 1 P--O3' 1.265 -28.54 3 P-O3'-C3' 101.089 -15.509 . . . . 0.06 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 1.002 ' OP2' H2'' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 P--O5' 1.562 -3.149 1 C5'-C4'-C3' 107.692 -4.672 . . . . 0.06 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.875 H2'' ' OP2' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 P--O5' 1.581 -1.198 0 O4'-C1'-C2' 108.3 2.0 . . . . 0.06 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.945 H2'' ' H71' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.457 2.026 0 C4'-C3'-C2' 99.355 -3.845 . . . . 0.06 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.945 ' H71' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 P--O3' 1.635 2.304 0 O3'-P-O5' 108.219 2.22 . . . . 0.08 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.895 ' OP2' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.36 -5.45 1 C5'-C4'-C3' 105.063 -6.424 . . . . 0.1 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.695 ' OP2' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.574 -2.739 2 OP1-P-O3' 86.536 -6.52 . . . . 0.08 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.839 H2'' ' OP2' ' C' ' 24' ' ' ' DG' . . . . . . . . 1 P--O3' 1.273 -27.868 3 P-O3'-C3' 100.017 -16.403 . . . . 0.08 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ' DG' . . . . . 0.839 ' OP2' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 1 P--O3' 1.454 -12.712 3 P-O3'-C3' 101.555 -15.121 . . . . 0.09 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.813 H2'' ' OP2' ' C' ' 26' ' ' ' DT' . . . . . . . . 1 P--O3' 1.466 -11.769 3 P-O3'-C3' 100.95 -15.625 . . . . 0.1 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.813 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 1 P--O3' 1.469 -11.478 4 OP1-P-O3' 76.205 -9.749 . . . . 0.11 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_