data_1u6p_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 1u6p _Structure_validation_residue.Date_analyzed 2016-10-07 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 core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.4 129.07 56.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.49 149.59 34.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.74 95.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.33 171.52 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.51 89.65 1.05 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.07 65.14 0.51 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 110.276 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.491 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -3.9 9.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -134.38 29.18 3.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.491 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -120.6 168.27 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 53.7 t -103.72 132.59 49.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 108.329 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.77 31.7 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.452 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 15.9 t80 -132.59 -58.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.562 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 27.2 p -102.23 -11.39 18.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 73.62 23.55 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.562 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 51.7 mt-10 -89.02 141.0 28.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.19 127.01 40.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.89 -47.79 0.85 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.629 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 51.2 p-80 -115.58 176.56 5.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.787 . . . . 0.0 109.614 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -108.88 165.38 11.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 107.964 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.413 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -58.7 -39.68 81.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm -71.06 -2.72 16.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -130.2 20.07 5.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.629 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 21.7 t -67.7 132.61 92.58 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 108.285 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD3' ' NE2' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.0 1.01 8.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.506 1.792 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.37 147.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.418 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . -60.15 170.94 6.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.418 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -74.96 -174.36 13.95 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.013 0.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.94 162.94 27.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.3 -105.57 0.34 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 175.22 11.54 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.26 129.2 12.13 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.88 23.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -178.97 128.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.2 p -126.75 169.32 13.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.46 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -142.49 157.65 44.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.3 161.46 40.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.43 -52.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.354 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 62.66 164.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.41 -135.86 8.36 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.439 1.087 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.8 175.49 43.91 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 110.26 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -10.57 29.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -126.27 29.57 5.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.234 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 22.8 mt-30 -119.46 177.88 4.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 47.8 t -99.2 132.74 44.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 108.286 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.25 21.79 5.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 11.7 t80 -123.26 -60.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.675 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 26.5 p -100.81 -23.78 14.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.656 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER 100.78 -25.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.675 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -39.12 139.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 48.0 tttt -95.66 134.32 38.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.362 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.49 -50.54 0.89 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.433 1.083 . . . . 0.0 110.973 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.519 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 20.0 p-80 -112.43 155.89 23.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 109.629 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -95.17 167.15 11.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 108.021 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.438 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -59.29 -35.71 74.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -8.4 33.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.56 27.54 4.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.519 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 25.5 t -77.41 133.07 68.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.292 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.431 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.4 Cg_endo -75.08 1.17 8.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.435 1.755 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.582 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.362 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -148.56 129.38 14.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -121.0 177.99 16.38 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.9 -50.38 0.19 OUTLIER 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.042 -2.483 . . . . 0.0 111.055 -0.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 43.61 85.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.379 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.42 82.07 0.22 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 175.45 11.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.544 1.813 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.48 132.32 0.34 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 168.55 24.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.568 1.825 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -158.61 162.6 37.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.6 t -143.37 158.43 43.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 110.441 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.399 1.062 . . . . 0.0 110.029 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -109.93 155.85 21.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -60.46 131.52 51.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.95 171.71 13.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -134.2 80.7 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.259 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.86 147.56 16.28 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.44 1.087 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.89 -124.96 3.07 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -6.69 19.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.53 25.44 4.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.405 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 38.8 tt0 -116.86 133.8 55.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 49.3 t -60.31 131.09 49.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 108.288 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.19 25.43 6.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 9.8 t80 -122.82 -64.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 27.9 p -94.58 -9.89 33.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.295 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 74.82 23.03 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.607 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 50.7 mt-10 -90.23 115.45 27.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.77 127.85 33.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.269 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 138.82 -55.38 0.67 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.447 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 23.4 p-80 -108.9 160.4 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.67 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -92.11 158.76 16.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.009 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.422 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -59.8 -33.59 71.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -66.78 -10.3 46.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -129.64 25.79 5.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.371 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.471 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 35.9 t -71.88 134.15 83.73 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 108.229 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.471 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.0 Cg_endo -75.07 2.27 6.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 1.4 ttmt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.14 89.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.503 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . -131.55 157.69 22.45 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.503 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.05 -33.66 3.91 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.953 -2.52 . . . . 0.0 111.04 0.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -171.67 122.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.579 1.174 . . . . 0.0 110.358 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -117.28 94.72 0.63 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 147.76 34.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.54 1.81 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.84 114.71 58.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -179.99 5.54 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.479 1.779 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -163.93 160.6 22.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 110.341 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.8 t -155.67 58.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.443 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 73.51 96.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 31.0 t70 -177.68 136.39 0.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.446 ' CG ' ' O ' ' A' ' 10' ' ' ASP . 18.3 mtt180 -164.77 159.46 18.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.185 . . . . 0.0 110.301 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -163.86 142.54 7.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.33 -160.76 21.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.85 112.27 3.48 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.29 -179.919 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -12.21 18.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.73 29.78 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -116.43 176.93 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.554 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 39.1 t -104.96 132.99 50.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 108.263 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.26 20.53 5.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.384 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.629 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 2.6 t80 -124.58 -62.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.064 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.619 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 30.7 p -100.17 -20.36 16.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.332 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.619 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 1.2 mmtt 97.4 -27.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 0.0 109.239 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.527 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 47.0 mt-10 -34.46 150.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.01 138.49 44.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.77 -45.58 1.17 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 13.5 p-80 -114.02 161.47 17.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 0.744 . . . . 0.0 109.61 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -100.07 165.11 11.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' HA ' ' HB2' ' A' ' 39' ' ' CYS . . . -58.74 -37.48 76.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -65.25 -11.05 37.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -131.59 30.96 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 36' ' ' ALA . 49.8 t -80.8 131.67 59.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.282 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 3.01 5.97 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.818 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.629 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 2.9 ttmt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.933 0 N-CA-C 111.076 -0.394 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -104.21 145.43 30.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 110.303 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.79 175.93 14.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 133.19 30.28 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.985 -0.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -77.92 143.94 37.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.41 147.9 19.48 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 78.41 2.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -147.06 105.87 3.88 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.24 7.54 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.559 1.82 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -107.8 70.51 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.7 p -114.63 127.78 55.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.421 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -172.16 -44.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -178.0 -178.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.077 . . . . 0.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -125.2 -55.62 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -149.13 140.61 23.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.43 -139.55 7.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.53 120.28 0.97 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -65.31 -9.49 24.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.3 29.82 4.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.445 ' HG3' ' CB ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -114.13 179.15 4.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 36' ' ' ALA . 44.9 t -104.55 135.35 46.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.15 22.71 9.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -123.96 -63.73 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.608 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 28.1 p -96.31 -10.23 28.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 108.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 83.47 -18.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.608 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 48.1 mt-10 -47.8 140.67 6.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.241 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.445 ' CB ' ' HG3' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -99.35 137.71 37.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.23 -45.41 1.14 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.614 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 39.3 p-80 -116.79 167.96 10.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.578 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -99.84 166.03 11.28 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -56.49 -45.97 80.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -9.21 25.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.415 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -119.1 16.37 13.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.614 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 18.0 t -69.92 131.54 89.14 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 108.353 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 0.79 8.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.412 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 1.6 mttt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.454 -0.849 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.59 161.49 23.88 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.467 1.104 . . . . 0.0 110.25 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.74 175.74 18.22 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.521 1.138 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -170.9 8.7 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.971 0.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.99 165.99 30.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.227 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.75 103.07 1.67 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.66 17.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.6 ptt-85 -111.62 142.19 26.1 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' THR . 18.2 Cg_endo -75.0 130.88 13.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.376 1.724 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -65.42 74.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' PRO . 5.1 m -58.91 106.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.932 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -74.31 106.69 6.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.05 104.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.24 117.46 4.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 73.62 10.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.4 177.98 35.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.24 84.31 0.33 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 110.344 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -4.94 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -132.99 24.11 4.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.52 1.137 . . . . 0.0 109.362 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -117.83 138.63 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 44.9 t -62.19 132.87 54.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 108.308 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.26 28.29 3.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.609 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 33.3 t80 -128.66 -62.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 27.5 p -95.94 -14.01 23.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 108.265 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.1 23.37 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.563 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 47.3 mt-10 -87.1 117.05 25.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.42 119.93 19.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.41 -59.29 0.5 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.072 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.578 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 31.0 p-80 -104.34 159.31 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.744 . . . . 0.0 109.599 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -93.11 163.19 13.73 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -59.62 -36.24 75.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -7.25 22.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.92 27.61 4.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.578 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 38.0 t -74.13 131.2 81.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 108.217 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 1.21 8.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.609 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.356 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.967 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 58.84 111.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.404 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . 173.28 170.43 36.86 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.404 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -75.04 161.18 95.34 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.015 0.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 136.03 29.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.98 173.84 50.06 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 59.05 5.09 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.443 1.759 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.6 85.24 0.19 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.233 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 79.48 2.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -160.88 64.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.235 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.6 p 43.03 77.24 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.396 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.9 t . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mttt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -178.89 153.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.76 154.16 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER 177.74 165.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.491 ' O ' ' CZ ' ' A' ' 11' ' ' ARG . 10.2 mt-30 -150.74 161.49 42.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.25 -176.04 46.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.75 -169.61 11.69 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.75 . . . . 0.0 110.337 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.499 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -70.15 0.44 6.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.581 1.176 . . . . 0.0 110.243 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -135.42 22.67 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.499 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -121.15 141.1 51.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.47 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 47.2 t -72.86 132.38 43.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 108.236 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.41 27.1 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.47 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 17.4 t80 -127.19 -54.91 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 111.048 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 27.4 p -104.24 -21.74 13.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 8.9 mmtt 84.71 24.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.48 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 41.9 mt-10 -88.79 120.84 30.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 118.14 20.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 146.76 -58.58 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.563 1.164 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.45 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 30.6 p-80 -103.35 167.02 10.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.787 . . . . 0.0 109.537 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -102.27 159.19 15.62 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -58.93 -33.02 70.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -9.27 24.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.89 31.16 3.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.462 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 37.2 t -72.67 134.02 82.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 108.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.462 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.05 2.98 6.05 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.442 1.759 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.42 86.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' PRO . . . 52.69 171.71 0.03 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.581 1.176 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.409 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -74.99 135.88 42.61 Favored 'Cis proline' 0 C--N 1.359 1.103 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.987 0.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -126.15 103.83 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.32 -178.86 30.02 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.143 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 129.9 12.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.34 94.99 0.52 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.2 36.22 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 176.75 76.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -169.88 116.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.376 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.007 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -142.97 151.37 40.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -123.9 124.33 42.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.251 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -115.35 150.59 36.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.14 83.39 1.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.83 152.5 20.75 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.6 141.13 12.3 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 110.279 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.41 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -64.28 -9.86 20.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.15 30.47 5.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.41 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -118.79 176.25 5.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 48.8 t -111.13 131.03 55.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 108.289 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.69 23.66 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 8.0 t80 -123.48 -64.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.809 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 26.3 p -97.01 -14.01 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 89.29 -21.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.809 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -47.19 154.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -110.94 142.68 42.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.64 -43.78 1.31 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.12 . . . . 0.0 110.978 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.57 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 29.0 p-80 -117.85 172.94 7.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.767 . . . . 0.0 109.594 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -106.03 162.82 13.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 108.012 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.24 -40.19 81.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -9.36 47.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.96 17.3 8.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.57 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 34.0 t -67.77 133.7 92.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.361 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.456 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.01 1.33 7.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.538 1.81 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.231 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.94 120.75 21.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.58 178.72 34.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.59 1.181 . . . . 0.0 111.031 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 158.14 99.19 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.972 -0.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -173.81 111.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.71 89.25 2.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 148.38 34.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.449 1.762 . . . . 0.0 110.951 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -93.45 120.32 66.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.255 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 170.15 21.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -75.61 162.42 28.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.2 t -150.58 69.06 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.7 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.002 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -176.43 151.85 1.02 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -65.2 161.66 18.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.03 154.19 35.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.5 pm0 -85.55 162.09 19.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.04 -123.98 2.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.24 61.45 0.85 Allowed Glycine 0 CA--C 1.531 1.069 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.803 . . . . 0.0 110.306 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.473 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -8.37 19.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -129.43 27.25 5.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.473 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 2.0 tt0 -119.67 130.82 55.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.215 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 41.8 t -63.24 138.22 58.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 108.314 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.9 25.34 6.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.593 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 1.9 t80 -125.6 -65.28 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 28.2 p -94.93 -15.28 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 108.261 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 78.69 22.98 0.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.565 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 47.7 mt-10 -89.01 122.78 32.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.333 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -78.61 127.35 32.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.77 -54.12 0.67 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.614 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 31.6 p-80 -108.41 162.05 14.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.644 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -94.8 163.71 13.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.25 78.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.247 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -68.58 -7.12 29.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -128.36 24.12 5.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.173 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.614 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 39.1 t -73.67 130.72 83.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 1.44 7.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.441 1.758 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.593 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 3.2 ttmt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.956 -0.44 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 173.4 53.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.16 176.6 0.85 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.524 1.14 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -58.27 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.99 -0.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.6 tpt85 64.05 120.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.2 152.53 0.39 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -178.55 4.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.47 151.13 95.66 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.324 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -172.4 1.25 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.535 1.808 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.01 158.73 16.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.7 p -61.41 171.81 1.33 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -169.87 86.03 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 175.72 157.43 0.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.392 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -135.78 129.84 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -124.34 136.8 54.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.5 -118.59 0.71 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.29 -109.31 0.91 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -7.29 22.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -126.55 21.54 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.479 ' CG ' ' HG3' ' A' ' 32' ' ' LYS . 8.9 mt-30 -110.61 172.72 6.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.361 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 41.7 t -104.17 129.58 51.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.346 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.51 32.79 1.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.471 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 7.6 t80 -131.11 -62.73 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 24.6 p -100.71 -10.09 21.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.347 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.15 21.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.657 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -72.91 -179.77 3.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HG3' ' CG ' ' A' ' 25' ' ' GLN . 1.9 mttt -132.71 119.17 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.07 -51.98 0.84 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.598 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 22.2 p-80 -104.93 158.79 16.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 0.732 . . . . 0.0 109.595 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -97.85 165.56 11.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.92 -35.52 73.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -7.29 38.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -128.25 17.03 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.369 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.598 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 19.1 t -66.86 133.41 93.97 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.422 1.076 . . . . 0.0 108.33 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.447 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.14 1.58 7.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' CE ' ' HB3' ' A' ' 29' ' ' CYS . 1.5 mtpt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' LYS . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 43.82 88.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -54.19 -176.73 0.11 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.582 1.176 . . . . 0.0 110.976 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 148.31 91.35 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.956 -2.518 . . . . 0.0 111.019 0.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.78 137.02 0.24 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 151.83 84.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.405 1.066 . . . . 0.0 111.07 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.84 4.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -126.09 96.95 35.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 172.66 15.93 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.43 75.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.8 p -73.31 84.2 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -111.53 82.3 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.244 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.88 130.77 44.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.9 139.62 25.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -166.66 161.84 16.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.326 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.65 -151.89 21.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.453 1.095 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.19 162.88 36.36 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.423 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 110.351 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -68.17 -4.27 13.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.06 26.01 5.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -114.96 175.23 5.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.229 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 36' ' ' ALA . 50.4 t -101.66 131.09 48.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 108.28 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.54 26.15 2.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.477 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 4.7 t80 -126.21 -61.03 1.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.579 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 23.7 p -97.93 -29.27 13.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 108.325 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 93.55 25.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.415 1.072 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.579 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -89.43 142.09 27.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -92.1 124.79 36.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.02 -50.91 0.81 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.579 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 31.1 p-80 -114.08 160.51 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.565 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -100.93 167.48 10.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.481 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -59.12 -35.56 73.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 109.373 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -66.57 -8.72 28.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.243 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.56 29.54 3.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.579 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 30.2 t -75.8 133.18 73.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.433 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.01 1.41 7.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.456 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' LYS . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.98 174.02 15.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -176.59 175.37 47.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.9 94.59 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.961 0.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.01 141.13 50.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.51 129.08 16.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 105.17 2.03 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 134.36 22.7 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.423 ' CB ' ' HG3' ' A' ' 15' ' ' GLU . 18.1 Cg_endo -75.07 162.61 36.68 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.439 1.757 . . . . 0.0 110.949 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -152.01 88.59 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 t -142.59 128.36 19.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.177 . . . . 0.0 109.965 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 tptp . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.436 ' OE1' ' NH1' ' A' ' 11' ' ' ARG . 37.7 mm-40 -140.26 170.33 16.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -165.9 124.19 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.436 ' NH1' ' OE1' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -176.73 139.41 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -123.68 -48.57 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 110.326 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.52 -164.02 29.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' GLU . . . 123.55 177.26 15.03 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.3 pm0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.481 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -70.38 1.35 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.96 21.51 3.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -117.03 141.17 48.59 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.485 1.115 . . . . 0.0 110.354 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 48.6 t -70.96 130.56 41.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.276 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.54 29.27 2.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.407 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 33.6 t80 -129.33 -60.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.525 ' SG ' ' CG ' ' A' ' 31' ' ' GLU . 28.1 p -96.82 -15.96 21.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.7 25.4 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.252 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.525 ' CG ' ' SG ' ' A' ' 29' ' ' CYS . 47.2 mt-10 -93.26 122.61 35.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.361 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -79.43 125.75 29.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 142.6 -48.11 0.79 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.157 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.603 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 47.0 p-80 -116.55 171.07 8.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.576 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -104.14 165.5 11.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 108.002 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.64 -38.55 78.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -6.83 30.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -128.11 22.98 6.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.603 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 22.7 t -70.93 132.45 86.71 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 108.245 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD3' ' NE2' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.07 0.72 8.59 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.524 1.802 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.435 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 1.3 mttt . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 110.964 -0.437 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 179.48 80.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 110.34 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.3 -176.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.88 0.51 Allowed 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.949 0.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 178.48 152.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.21 88.28 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 153.19 41.26 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.48 1.779 . . . . 0.0 111.064 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.418 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 1.7 ptt180 -177.51 63.85 0.19 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 50' ' ' ARG . 18.1 Cg_endo -75.0 156.99 43.04 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -174.68 109.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.6 t -162.88 137.86 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.347 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.08 98.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.262 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 t70 177.23 144.81 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 12' ' ' GLN . 1.8 tpm_? -176.87 -69.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.235 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' ARG . 6.5 mt-30 54.41 168.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.082 . . . . 0.0 110.321 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 14' ' ' GLY . . . 156.85 151.97 6.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 13' ' ' GLY . . . 55.87 162.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.594 0.82 . . . . 0.0 110.237 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.9 t0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -7.04 21.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 110.385 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.6 25.22 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.372 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -113.66 179.64 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 46.3 t -101.57 134.98 43.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 108.341 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.34 23.24 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.412 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 5.5 t80 -124.35 -63.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.718 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.1 p -96.29 -19.52 19.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 108.325 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.565 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER 93.64 -19.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.718 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.7 OUTLIER -46.7 142.2 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.61 135.86 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.26 -47.63 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 33.1 p-80 -116.52 164.44 14.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.556 0.798 . . . . 0.0 109.633 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -101.06 166.15 10.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.589 1.181 . . . . 0.0 107.98 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -59.47 -35.35 73.92 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -68.66 -7.52 34.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.29 23.85 4.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.427 1.079 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.568 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 23.1 t -72.67 133.22 82.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 108.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.03 1.05 8.19 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -139.56 145.05 38.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.52 -178.08 15.31 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.54 1.15 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.17 60.21 Favored 'Cis proline' 0 C--N 1.359 1.085 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.028 -0.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -152.06 105.03 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -149.68 122.71 1.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.19 33.78 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.562 1.822 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -149.11 117.18 3.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.402 1.064 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 179.92 5.63 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -110.18 -61.89 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.8 m 59.08 156.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.7 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.964 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? 177.25 155.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.237 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.47 128.4 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.17 125.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -176.2 153.03 1.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.0 122.47 1.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.38 134.15 2.51 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 110.272 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.492 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -7.9 10.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.96 18.48 10.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.492 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -113.8 174.2 6.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 49.2 t -101.02 129.14 46.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 108.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.16 30.87 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.624 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 14.3 t80 -129.76 -58.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.661 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.4 p -103.91 -12.73 16.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 52.3 mmtt 79.22 21.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.661 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -73.66 172.39 11.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.66 116.2 20.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.6 -54.02 0.77 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.481 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 17.4 p-80 -102.04 157.95 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.561 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 3.6 m0 -98.89 160.94 13.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 108.047 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.467 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -58.64 -32.89 69.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -64.91 -9.84 24.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.69 32.69 2.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.481 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 34.4 t -73.41 133.99 80.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 108.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.5 Cg_endo -74.89 2.21 6.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.624 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 179.56 60.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.424 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . 53.37 169.75 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.424 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -74.98 -169.34 7.26 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.995 0.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.05 116.91 26.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.79 106.7 0.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.87 15.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.5 99.89 1.71 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 173.56 14.31 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -139.27 164.93 28.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.418 HG21 ' N ' ' A' ' 54' ' ' SER . 43.0 m -100.25 149.54 23.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.418 ' N ' HG21 ' A' ' 53' ' ' THR . 2.8 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.927 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -155.93 159.36 39.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -123.85 -175.26 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.222 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.91 112.56 3.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.88 -160.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.64 138.09 6.34 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.13 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.15 -156.35 14.23 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.568 0.805 . . . . 0.0 110.316 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.434 ' CG ' ' NE2' ' A' ' 25' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -69.43 -3.93 16.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' OE1' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -127.66 23.37 6.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.434 ' NE2' ' CG ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -111.7 174.89 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 43.1 t -109.76 135.44 50.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 108.261 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.48 32.15 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -134.24 -58.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.994 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.0 p -101.58 -17.72 16.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 108.318 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 18.3 mmtt 79.16 25.98 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.669 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.5 mt-10 -84.55 177.56 8.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -127.91 128.48 45.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.09 -45.22 1.15 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.684 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 37.8 p-80 -114.21 164.78 13.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.598 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -101.16 169.05 9.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 108.023 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.35 -41.07 83.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -71.99 -1.93 16.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.24 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.19 16.15 7.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.684 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 22.1 t -68.11 132.51 91.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 108.233 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.0 0.46 8.88 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.536 1.808 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.462 ' CE ' ' HB3' ' A' ' 29' ' ' CYS . 1.4 mtpt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.033 -0.41 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 136.39 39.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.76 -174.1 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 124.66 10.35 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.011 -2.495 . . . . 0.0 110.942 0.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.49 154.67 51.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.229 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.56 105.91 0.23 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 65.44 6.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 118.31 43.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 110.24 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 143.33 28.99 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.565 1.824 . . . . 0.0 110.986 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -113.5 146.72 39.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 t -167.32 159.55 12.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.376 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.98 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -172.86 155.79 3.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.79 149.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.251 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.66 132.04 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.83 155.44 19.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.241 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.64 140.86 4.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.57 1.169 . . . . 0.0 111.054 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.54 53.84 0.62 Allowed Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 110.289 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.443 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 21.3 tpp180 -66.87 -5.7 13.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -127.45 27.03 5.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.443 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -120.76 171.81 8.33 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 42.3 t -100.8 132.43 46.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.09 26.82 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.43 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 32.8 t80 -129.87 -56.97 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 29.0 p -105.55 -16.23 14.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 108.347 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 4.3 mmtt 91.26 -23.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.544 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 45.0 mt-10 -40.58 143.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 136.67 39.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 128.84 -48.52 0.97 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.576 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 32.0 p-80 -113.09 169.84 8.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.645 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -106.82 165.36 11.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.135 . . . . 0.0 107.987 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.415 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -58.93 -36.88 75.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -69.77 -5.35 24.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.02 20.29 4.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 21.2 t -67.91 132.92 92.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.332 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.4 Cg_endo -75.07 0.97 8.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 1.1 mtpt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.431 ' O ' ' CG ' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -173.26 59.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.52 -177.41 30.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.601 1.188 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -60.07 0.09 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.943 -2.524 . . . . 0.0 111.02 0.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 177.84 161.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.355 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.12 79.58 0.04 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 171.14 18.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -138.67 81.74 22.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 127.76 10.94 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.76 155.23 29.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.4 m -145.95 120.88 9.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 110.444 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.184 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.0 mttm . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -87.76 152.45 22.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -161.36 162.0 30.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.55 106.5 3.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.454 1.096 . . . . 0.0 110.34 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 177.99 128.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.58 171.4 31.91 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.68 154.98 26.18 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 110.255 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -65.84 -9.41 28.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -123.15 27.36 7.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.405 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.9 mt-30 -119.0 170.84 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 37.9 t -98.33 134.11 41.8 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.471 1.107 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.3 21.49 6.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.594 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 22.7 t80 -125.32 -63.85 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 111.037 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.749 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 28.4 p -96.49 -20.63 18.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 108.324 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.604 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.4 OUTLIER 95.73 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.749 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -41.35 143.18 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -101.16 142.36 32.71 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.202 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.39 -46.74 1.06 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.593 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 16.8 p-80 -113.96 155.85 25.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -90.49 165.96 13.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 108.05 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.56 -39.97 81.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -6.29 32.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.12 19.22 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.593 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 35.5 t -72.32 130.61 85.88 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 108.293 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 0.57 8.69 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.594 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 1.5 ttmt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -137.3 135.52 37.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.343 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.424 ' HA2' ' N ' ' A' ' 47' ' ' ARG . . . -70.61 -175.85 19.67 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 119.24 5.84 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.023 -0.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.424 ' N ' ' HA2' ' A' ' 45' ' ' GLY . 1.6 tpm_? -150.22 88.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.08 113.96 3.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.437 1.086 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.65 34.14 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.477 1.777 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.58 88.17 0.12 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -45.62 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.416 1.746 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 176.38 136.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.8 m -108.56 -72.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.374 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.8 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.168 . . . . 0.0 110.056 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.62 100.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -150.48 165.52 32.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.29 159.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -107.89 168.8 9.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.03 167.16 39.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.77 122.13 2.57 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.319 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.4 -5.37 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.213 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.81 29.06 4.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.416 1.072 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -119.2 -177.85 3.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' A' ' 36' ' ' ALA . 49.7 t -110.75 134.16 52.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 108.296 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.15 27.02 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.437 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 16.4 t80 -127.52 -63.54 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.697 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 24.3 p -93.18 -14.64 26.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.314 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 40.6 mmtt 75.43 26.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.697 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 2.4 mt-10 -83.57 -177.54 6.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.24 125.25 28.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.64 -45.71 1.1 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.557 1.161 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.637 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 42.8 p-80 -114.12 169.14 9.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.585 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -106.16 166.64 10.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 108.053 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.441 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -58.5 -38.82 78.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -4.95 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -131.62 24.18 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.637 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 29.4 t -71.1 132.9 86.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.02 1.08 8.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.768 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.472 ' CE ' ' HB3' ' A' ' 29' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' LYS . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.939 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -136.91 147.53 46.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.05 -179.1 19.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 165.42 85.95 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.904 0.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.43 51.97 0.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.33 93.28 0.1 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.41 1.068 . . . . 0.0 111.011 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 166.33 29.37 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.518 1.799 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.88 129.24 24.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 155.98 43.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -166.12 126.69 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.1 t -134.9 133.22 39.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.358 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.983 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 pttt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 10' ' ' ASP . 14.8 pt20 -155.27 131.34 10.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 9' ' ' GLN . 35.8 m-20 60.79 145.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 134.1 54.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -55.54 141.28 37.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.12 -107.4 1.19 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.08 160.65 21.64 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -10.12 21.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.9 31.24 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -121.2 132.32 54.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 41.7 t -64.34 131.98 48.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.44 1.087 . . . . 0.0 108.33 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.22 33.21 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.484 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 5.1 t80 -131.81 -53.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.5 p -109.13 -13.21 14.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.94 23.97 0.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.6 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 26.2 mt-10 -86.43 124.42 32.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -77.42 115.07 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.17 -61.26 0.42 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.614 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 45.3 p-80 -104.94 169.87 8.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 109.63 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -103.99 166.33 10.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.054 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.427 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -59.52 -36.76 76.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.26 -7.28 35.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.55 21.85 5.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.614 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 23.5 t -70.84 132.49 86.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.323 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.41 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.5 Cg_endo -74.99 0.93 8.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.401 1.737 . . . . 0.0 111.068 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.472 ' CD ' ' HB3' ' A' ' 29' ' ' CYS . 1.8 mtpp . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -178.18 100.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.75 -174.32 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.567 1.167 . . . . 0.0 110.974 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -64.48 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.992 -0.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER 71.56 157.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -153.3 104.96 0.27 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.442 1.089 . . . . 0.0 111.045 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 126.07 9.76 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -130.28 104.61 16.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 114.43 4.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.035 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -58.67 154.4 14.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.1 m -134.91 142.37 46.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.06 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -134.78 162.87 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.29 169.38 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -126.24 -60.04 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -179.09 166.46 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.331 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.62 -142.2 5.47 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.578 1.174 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 154.72 165.57 14.15 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.52 0.776 . . . . 0.0 110.21 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -65.62 -5.91 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.28 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -126.93 26.93 6.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -114.17 -175.94 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 36' ' ' ALA . 41.8 t -113.91 137.93 51.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 108.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.12 26.4 5.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.618 ' CE1' ' HG3' ' A' ' 41' ' ' LYS . 2.2 t80 -127.54 -57.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 25.8 p -102.07 -24.17 13.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 3.3 mmtt 88.63 20.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.495 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 30.6 mt-10 -79.81 167.33 20.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.38 128.21 53.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.32 -45.7 1.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.679 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 19.2 p-80 -111.85 156.39 22.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 0.75 . . . . 0.0 109.547 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -93.77 167.23 11.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 108.005 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.423 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -56.69 -45.43 81.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -4.55 19.57 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.65 5.17 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.679 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 15.5 t -60.41 134.66 91.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.293 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.496 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.07 0.84 8.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.558 1.82 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.618 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.47 99.43 7.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.86 174.61 46.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -171.08 8.88 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.021 -0.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -118.27 61.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.25 134.02 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.127 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 165.83 30.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.6 147.62 33.96 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 164.07 33.99 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.575 1.829 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -137.48 169.36 17.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -147.44 147.29 30.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 O-C-N 124.418 1.074 . . . . 0.0 110.032 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.9 m 63.61 136.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.388 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 85.1 t 64.29 93.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.4 p -139.34 -47.35 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 p -177.53 144.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.45 146.5 5.4 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -163.59 -59.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 57.84 77.98 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.4 129.07 56.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.49 149.59 34.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.74 95.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.33 171.52 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.51 89.65 1.05 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.07 65.14 0.51 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -106.5 107.93 19.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.1 145.74 27.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -125.78 165.43 18.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.341 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.545 ' HB3' ' C5 ' ' B' ' 308' ' ' ' U' . 10.9 mtt85 -114.78 68.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m 54.87 37.28 28.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.19 35.91 26.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.426 HD13 ' CB ' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -44.61 143.47 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.51 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.3 OUTLIER -118.55 154.49 32.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -3.9 9.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -134.38 29.18 3.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.491 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -120.6 168.27 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 53.7 t -103.72 132.59 49.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 108.329 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.426 ' CB ' HD13 ' A' ' 21' ' ' LEU . . . -94.77 31.7 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.452 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 15.9 t80 -132.59 -58.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.562 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 27.2 p -102.23 -11.39 18.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 73.62 23.55 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.562 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 51.7 mt-10 -89.02 141.0 28.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.19 127.01 40.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.89 -47.79 0.85 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.629 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 51.2 p-80 -115.58 176.56 5.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.787 . . . . 0.0 109.614 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -108.88 165.38 11.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 107.964 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.535 ' CB ' ' O6 ' ' B' ' 309' ' ' ' G' . . . -58.7 -39.68 81.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm -71.06 -2.72 16.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -130.2 20.07 5.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.629 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 21.7 t -67.7 132.61 92.58 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 108.285 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD3' ' NE2' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.0 1.01 8.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.506 1.792 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.509 ' CE ' ' O4 ' ' B' ' 306' ' ' ' U' . 0.5 OUTLIER -92.13 -22.43 19.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.5 106.54 0.65 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 162.12 37.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.37 147.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.418 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . -60.15 170.94 6.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -74.96 -174.36 13.95 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.013 0.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.94 162.94 27.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.3 -105.57 0.34 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 175.22 11.54 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.26 129.2 12.13 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.88 23.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -178.97 128.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.2 p -126.75 169.32 13.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.46 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.2 p -158.13 109.1 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 tt 58.41 110.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.945 8.161 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 O4'-C4'-C3' 92.354 -9.39 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 117.06 8.289 . 0.61 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . 0.402 ' C6 ' ' N1 ' ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 O4'-C4'-C3' 92.809 -9.065 . 0.639 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 117.281 8.534 . 0.348 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 281' ' ' ' U' . . . . . 0.448 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 93.299 -8.715 . 0.27 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 282' ' ' AP7 . . . . . 0.484 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . 0.484 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 117.124 8.36 . 0.455 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . 0.623 ' C2 ' ' N2 ' ' B' ' 298' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 117.257 8.508 . 0.212 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 285' ' ' ' A' . . . . . 0.774 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 117.215 8.461 . 0.151 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 286' ' ' ' G' . . . . . 0.469 ' C2 ' ' C2 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 93.283 -8.727 . 0.726 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 287' ' ' ' U' . . . . . 0.495 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 93.705 -8.425 . 0.831 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 288' ' ' ' U' . . . . . 0.557 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 O4'-C4'-C3' 92.912 -8.991 . 0.696 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 289' ' ' ' G' . . . . . 0.557 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 O4'-C4'-C3' 92.138 -9.544 . 0.498 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 290' ' ' ' A' . . . . . 0.651 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 115.998 7.109 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 291' ' ' ' G' . . . . . 0.651 ' C2 ' ' N6 ' ' B' ' 290' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 117.142 8.38 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 292' ' ' ' A' . . . . . 0.644 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 92.663 -9.169 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 293' ' ' ' A' . . . . . 0.59 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 117.206 8.451 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.933 8.148 . 0.076 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 295' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 O4'-C4'-C3' 93.14 -8.829 . 0.325 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 O4'-C4'-C3' 93.328 -8.694 . 0.641 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 297' ' ' ' A' . . . . . 0.774 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 93.045 -8.896 . 0.641 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . 0.623 ' N2 ' ' C2 ' ' B' ' 284' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 O4'-C4'-C3' 92.515 -9.275 . 0.313 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 299' ' ' ' C' . . . . . 0.586 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.897 3 O4'-C4'-C3' 91.988 -9.651 . 0.353 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 300' ' ' ' U' . . . . . 0.615 ' C4 ' ' N4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.661 2 C1'-O4'-C4' 117.45 8.723 . 0.496 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 301' ' ' ' C' . . . . . 0.813 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.0 3 O4'-C4'-C3' 92.57 -9.236 . 0.241 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 302' ' ' ' U' . . . . . 0.813 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 O4'-C4'-C3' 93.849 -8.322 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 303' ' ' ' G' . . . . . 0.559 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.041 2 O4'-C4'-C3' 91.339 -10.115 . 0.345 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 304' ' ' ' U' . . . . . 0.571 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.873 2 O4'-C4'-C3' 92.362 -9.384 . 0.045 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 305' ' ' ' A' . . . . . 0.571 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 O4'-C4'-C3' 90.666 -10.596 . 0.01 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 306' ' ' ' U' . . . . . 0.509 ' O4 ' ' CE ' ' A' ' 41' ' ' LYS . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 O4'-C4'-C3' 92.403 -9.355 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 307' ' ' ' C' . . . . . 0.449 " H1'" ' HB3' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -2.013 3 C1'-O4'-C4' 117.114 8.349 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 308' ' ' ' U' . . . . . 0.545 ' C5 ' ' HB3' ' A' ' 18' ' ' ARG . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 O4'-C4'-C3' 92.262 -9.456 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 309' ' ' ' G' . . . . . 0.535 ' O6 ' ' CB ' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 O4'-C4'-C3' 93.301 -8.714 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 310' ' ' ' G' . . . . . 0.479 " C5'" " H2'" ' B' ' 309' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 O4'-C4'-C3' 91.921 -9.699 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 311' ' ' ' C' . . . . . 0.479 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 93.253 -8.748 . 0.195 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 312' ' ' ' G' . . . . . 0.469 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.049 7.166 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 313' ' ' ' G' . . . . . 0.573 " H2'" ' C8 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.15 2 C1'-O4'-C4' 117.291 8.545 . 0.211 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 314' ' ' ' A' . . . . . 0.641 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 117.088 8.32 . 0.71 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 315' ' ' ' C' . . . . . 0.641 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.305 -12.319 2 C1'-O4'-C4' 119.466 10.962 . 0.01 1b . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 316' ' ' ' C' . . . . . 0.571 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 O4'-C4'-C3' 94.192 -8.077 . 0.421 4g . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 317' ' ' ' C' . . . . . 0.571 ' C6 ' " H2'" ' B' ' 316' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.883 2 C1'-O4'-C4' 116.909 8.121 . 0.539 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 318' ' ' ' G' . . . . . 0.81 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 C1'-O4'-C4' 117.104 8.337 . 0.5 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.496 3.555 3 O4'-C4'-C3' 91.766 -9.81 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 320' ' ' ' G' . . . . . 0.81 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 3 C1'-O4'-C4' 115.018 6.02 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 321' ' ' ' G' . . . . . 0.688 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 92.43 -9.335 . 0.063 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 322' ' ' ' U' . . . . . 0.688 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.961 3 O4'-C4'-C3' 91.208 -10.209 . 0.502 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 323' ' ' ' G' . . . . . 0.506 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.919 3 C1'-O4'-C4' 116.907 8.119 . 0.251 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 324' ' ' ' G' . . . . . 0.744 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.003 0 C3'-C2'-O2' 102.709 -3.652 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 325' ' ' ' A' . . . . . 0.744 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 117.318 8.576 . 0.105 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 326' ' ' ' A' . . . . . 0.617 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 116.629 7.81 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 327' ' ' ' C' . . . . . 0.449 ' C4 ' ' C6 ' ' B' ' 326' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.803 8.003 . 0.61 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 328' ' ' ' U' . . . . . 0.654 ' C4 ' ' N7 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 C1'-O4'-C4' 117.285 8.539 . 0.834 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 329' ' ' ' G' . . . . . 0.654 ' N7 ' ' C4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 91.452 -10.034 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 330' ' ' ' U' . . . . . 0.41 ' C5 ' ' C5 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.222 2 C1'-O4'-C4' 117.386 8.652 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 331' ' ' ' G' . . . . . 0.694 ' C2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.934 3 C1'-O4'-C4' 117.328 8.587 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 332' ' ' ' A' . . . . . 0.694 ' C2 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.018 3 C1'-O4'-C4' 116.977 8.197 . 0.331 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 333' ' ' ' A' . . . . . 0.516 " C2'" " O5'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.399 7.554 . 0.233 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 334' ' ' ' G' . . . . . 0.516 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 116.606 7.785 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 335' ' ' ' U' . . . . . 0.678 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 117.316 8.573 . 0.763 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 336' ' ' ' U' . . . . . 0.678 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 116.997 8.219 . 0.63 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 337' ' ' ' C' . . . . . 0.615 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 91.262 -10.17 . 0.35 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 338' ' ' ' G' . . . . . 0.821 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.021 2 O4'-C4'-C3' 90.398 -10.787 . 0.366 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 339' ' ' ' G' . . . . . 0.821 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 99.357 -11.381 OUTLIER-EPSILON 0.01 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 340' ' ' ' A' . . . . . 0.812 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.917 3 O4'-C4'-C3' 92.274 -9.447 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 341' ' ' ' A' . . . . . 0.812 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 117.189 8.432 . 0.541 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 3 C1'-O4'-C4' 116.853 8.059 . 0.361 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 343' ' ' ' A' . . . . . 0.645 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 117.193 8.437 . 0.6 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 344' ' ' ' C' . . . . . 0.645 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 94.213 -8.062 . 0.613 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 345' ' ' ' C' . . . . . 0.597 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 93.365 -8.668 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 346' ' ' ' C' . . . . . 0.642 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 91.413 -10.062 . 0.434 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 347' ' ' ' G' . . . . . 0.663 ' C6 ' ' C6 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 O4'-C4'-C3' 93.615 -8.489 . 0.323 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 348' ' ' ' G' . . . . . 0.663 ' C6 ' ' C6 ' ' B' ' 347' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.899 2 O4'-C4'-C3' 91.992 -9.649 . 0.273 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 349' ' ' ' C' . . . . . 0.448 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 O4'-C4'-C3' 91.87 -9.736 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 350' ' ' ' C' . . . . . 0.412 ' N4 ' ' O6 ' ' B' ' 351' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.912 3 O4'-C4'-C3' 92.197 -9.502 . 0.449 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 351' ' ' ' G' . . . . . 0.412 ' O6 ' ' N4 ' ' B' ' 350' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 117.254 8.504 . 0.383 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 3 O4'-C4'-C3' 92.603 -9.212 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 117.268 8.52 . 0.293 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 354' ' ' ' A' . . . . . 0.503 ' C6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 117.19 8.433 . 0.559 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 355' ' ' ' C' . . . . . 0.503 ' N4 ' ' C6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.012 3 O4'-C4'-C3' 92.77 -9.093 . 0.581 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 356' ' ' ' C' . . . . . 0.483 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 93.854 -8.319 . 0.142 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 357' ' ' ' C' . . . . . 0.483 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.059 7.176 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 358' ' ' ' U' . . . . . 0.463 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 O4'-C4'-C3' 93.459 -8.601 . 0.171 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 359' ' ' ' G' . . . . . 0.554 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 O4'-C4'-C3' 93.346 -8.681 . 0.43 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 360' ' ' ' G' . . . . . 0.568 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 O4'-C4'-C3' 93.794 -8.361 . 0.275 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 361' ' ' ' G' . . . . . 0.574 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 93.269 -8.737 . 0.342 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 362' ' ' ' A' . . . . . 0.574 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 117.165 8.406 . 0.546 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 363' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 117.237 8.486 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 1 C1'-O4'-C4' 105.49 -4.567 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 0 C3'-C2'-O2' 102.684 -3.661 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 93.738 -8.401 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 117.255 8.506 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 368' ' ' ' C' . . . . . 0.511 " H2'" ' C6 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 O4'-C4'-C3' 91.898 -9.716 . 0.151 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 369' ' ' ' C' . . . . . 0.511 ' C6 ' " H2'" ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 O4'-C4'-C3' 93.374 -8.661 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 370' ' ' ' C' . . . . . 0.447 ' C6 ' " H2'" ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 92.501 -9.285 . 0.296 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 371' ' ' ' A' . . . . . 0.435 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 C1'-O4'-C4' 116.956 8.173 . 0.257 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 117.059 8.288 . 0.722 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 373' ' ' ' G' . . . . . 0.449 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.839 8.044 . 0.573 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 374' ' ' ' G' . . . . . 0.449 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.959 3 O4'-C4'-C3' 93.987 -8.223 . 0.592 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 91.953 -9.676 . 0.585 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 376' ' ' ' U' . . . . . 0.452 " H2'" ' C8 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 O4'-C4'-C3' 92.826 -9.053 . 0.422 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.8 p -128.88 174.02 9.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.424 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -174.48 142.83 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.8 p -142.53 135.94 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.226 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.25 146.41 53.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -125.33 167.38 17.72 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.449 1.093 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -153.99 157.78 39.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 110.279 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 157.04 43.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -142.49 157.65 44.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.3 161.46 40.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.43 -52.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.354 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 62.66 164.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.41 -135.86 8.36 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.439 1.087 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.8 175.49 43.91 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' O ' ' O2 ' ' B' ' 308' ' ' ' U' . 0.3 OUTLIER -161.4 178.51 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 110.26 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -141.79 126.94 18.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.13 98.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.509 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -86.67 41.92 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -37.59 -40.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.23 51.85 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.509 ' CD1' ' HG2' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -103.43 88.47 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.478 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.4 OUTLIER -76.2 156.46 33.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -10.57 29.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -126.27 29.57 5.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.234 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 22.8 mt-30 -119.46 177.88 4.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 47.8 t -99.2 132.74 44.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 108.286 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.569 ' HB1' ' C6 ' ' B' ' 309' ' ' ' G' . . . -93.25 21.79 5.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 11.7 t80 -123.26 -60.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.675 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 26.5 p -100.81 -23.78 14.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.656 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER 100.78 -25.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.675 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -39.12 139.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 48.0 tttt -95.66 134.32 38.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.362 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.49 -50.54 0.89 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.433 1.083 . . . . 0.0 110.973 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.519 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 20.0 p-80 -112.43 155.89 23.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 109.629 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -95.17 167.15 11.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 108.021 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.438 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -59.29 -35.71 74.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -8.4 33.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.56 27.54 4.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.519 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 25.5 t -77.41 133.07 68.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.292 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.431 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.4 Cg_endo -75.08 1.17 8.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.435 1.755 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.582 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -88.34 -23.34 23.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.362 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.7 108.57 1.19 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 176.8 9.44 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.51 1.795 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -148.56 129.38 14.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -121.0 177.99 16.38 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.9 -50.38 0.19 OUTLIER 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.042 -2.483 . . . . 0.0 111.055 -0.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 43.61 85.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.379 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.42 82.07 0.22 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 175.45 11.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.544 1.813 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.48 132.32 0.34 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 168.55 24.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.568 1.825 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -158.61 162.6 37.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.6 t -143.37 158.43 43.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 110.441 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m -112.68 167.49 10.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.399 1.062 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.72 173.95 10.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . 0.429 ' C6 ' ' N7 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 117.023 8.248 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 277' ' ' ' G' . . . . . 0.503 " H2'" ' C6 ' ' B' ' 278' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 O4'-C4'-C3' 92.841 -9.042 . 0.666 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 278' ' ' ' C' . . . . . 0.503 ' C6 ' " H2'" ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.919 8.132 . 0.623 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 O4'-C4'-C3' 92.813 -9.062 . 0.603 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.3 8.556 . 0.1 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 93.743 -8.398 . 0.576 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 282' ' ' AP7 . . . . . 0.574 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . 0.574 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 117.231 8.479 . 0.392 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 C1'-O4'-C4' 117.169 8.41 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 285' ' ' ' A' . . . . . 0.796 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 117.135 8.372 . 0.251 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 286' ' ' ' G' . . . . . 0.432 ' C5 ' ' C6 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 O4'-C4'-C3' 93.142 -8.827 . 0.401 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 287' ' ' ' U' . . . . . 0.603 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.861 2 O4'-C4'-C3' 91.988 -9.652 . 0.632 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 288' ' ' ' U' . . . . . 0.603 ' C4 ' ' C4 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 92.512 -9.277 . 0.557 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 289' ' ' ' G' . . . . . 0.594 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.036 2 O4'-C4'-C3' 92.627 -9.195 . 0.585 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 290' ' ' ' A' . . . . . 0.651 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.199 7.332 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 291' ' ' ' G' . . . . . 0.729 ' C5 ' ' C6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.825 8.028 . 0.075 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 292' ' ' ' A' . . . . . 0.729 ' C6 ' ' C5 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 117.118 8.353 . 0.213 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 293' ' ' ' A' . . . . . 0.589 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 117.197 8.442 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . 0.463 " H2'" ' C6 ' ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 117.244 8.493 . 0.547 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 295' ' ' ' C' . . . . . 0.463 ' C6 ' " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 116.97 8.188 . 0.186 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 296' ' ' ' U' . . . . . 0.438 ' C6 ' " H2'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 117.068 8.297 . 0.693 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 297' ' ' ' A' . . . . . 0.796 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 93.327 -8.695 . 0.495 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . 0.401 " H2'" " O4'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.013 3 O4'-C4'-C3' 92.43 -9.336 . 0.115 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 299' ' ' ' C' . . . . . 0.535 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.014 3 O4'-C4'-C3' 91.504 -9.997 . 0.302 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 300' ' ' ' U' . . . . . 0.631 ' C4 ' ' N4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.299 2 C1'-O4'-C4' 117.387 8.652 . 0.624 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 301' ' ' ' C' . . . . . 0.805 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.003 3 O4'-C4'-C3' 92.474 -9.304 . 0.172 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 302' ' ' ' U' . . . . . 0.805 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.146 8.384 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 303' ' ' ' G' . . . . . 0.613 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 O4'-C4'-C3' 91.783 -9.798 . 0.144 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 304' ' ' ' U' . . . . . 0.56 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 O4'-C4'-C3' 93.249 -8.75 . 0.185 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 305' ' ' ' A' . . . . . 0.56 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.946 3 O4'-C4'-C3' 91.158 -10.244 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 306' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 92.197 -9.502 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 307' ' ' ' C' . . . . . 0.42 " O2'" ' OP2' ' B' ' 308' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.061 8.29 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 308' ' ' ' U' . . . . . 0.42 ' OP2' " O2'" ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.053 2 O4'-C4'-C3' 92.823 -9.055 . 0.0 OUTLIER '7D dist 3a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 309' ' ' ' G' . . . . . 0.569 ' C6 ' ' HB1' ' A' ' 27' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 90.121 -10.985 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 310' ' ' ' G' . . . . . 0.545 ' O6 ' ' C4 ' ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 O4'-C4'-C3' 91.473 -10.019 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 311' ' ' ' C' . . . . . 0.467 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 O4'-C4'-C3' 92.721 -9.128 . 0.36 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 312' ' ' ' G' . . . . . 0.525 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 C1'-O4'-C4' 116.282 7.425 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 313' ' ' ' G' . . . . . 0.525 ' C5 ' ' C6 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.023 2 C1'-O4'-C4' 117.193 8.437 . 0.124 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 314' ' ' ' A' . . . . . 0.659 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 116.737 7.93 . 0.687 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 315' ' ' ' C' . . . . . 0.659 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.299 -12.826 2 C1'-O4'-C4' 119.559 11.066 . 0.01 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 316' ' ' ' C' . . . . . 0.418 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 115.988 7.098 . 0.144 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 317' ' ' ' C' . . . . . 0.643 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 117.226 8.473 . 0.377 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 318' ' ' ' G' . . . . . 0.799 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 C1'-O4'-C4' 117.164 8.405 . 0.397 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.491 3.191 2 O4'-C4'-C3' 91.627 -9.909 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 320' ' ' ' G' . . . . . 0.799 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.904 3 C1'-O4'-C4' 115.006 6.007 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 321' ' ' ' G' . . . . . 0.57 ' C5 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.896 3 O4'-C4'-C3' 92.459 -9.315 . 0.106 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 322' ' ' ' U' . . . . . 0.486 " H2'" ' C8 ' ' B' ' 323' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 O4'-C4'-C3' 93.119 -8.843 . 0.11 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 323' ' ' ' G' . . . . . 0.627 ' C6 ' ' C2 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.484 2.583 2 C1'-O4'-C4' 116.415 7.573 . 0.127 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 324' ' ' ' G' . . . . . 0.696 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.689 7.877 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 325' ' ' ' A' . . . . . 0.696 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 117.315 8.573 . 0.628 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 326' ' ' ' A' . . . . . 0.631 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 116.718 7.909 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.772 7.969 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 328' ' ' ' U' . . . . . 0.631 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 117.258 8.509 . 0.847 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 329' ' ' ' G' . . . . . 0.631 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 O4'-C4'-C3' 92.898 -9.001 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 330' ' ' ' U' . . . . . 0.448 ' OP1' ' N7 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 O4'-C4'-C3' 91.878 -9.73 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 331' ' ' ' G' . . . . . 0.623 ' OP2' ' C2 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 93.378 -8.658 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 332' ' ' ' A' . . . . . 0.481 ' C8 ' " H2'" ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 117.281 8.534 . 0.081 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 333' ' ' ' A' . . . . . 0.508 " C2'" " O5'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.205 8.45 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 334' ' ' ' G' . . . . . 0.508 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 116.867 8.074 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 335' ' ' ' U' . . . . . 0.613 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 117.145 8.383 . 0.662 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 336' ' ' ' U' . . . . . 0.613 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 116.936 8.151 . 0.58 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 337' ' ' ' C' . . . . . 0.623 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 O4'-C4'-C3' 90.988 -10.366 . 0.353 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 338' ' ' ' G' . . . . . 0.825 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.023 2 O4'-C4'-C3' 90.235 -10.904 . 0.667 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 339' ' ' ' G' . . . . . 0.825 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 99.745 -10.951 OUTLIER-EPSILON 0.037 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 340' ' ' ' A' . . . . . 0.795 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.478 2.088 3 O4'-C4'-C3' 92.18 -9.514 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 341' ' ' ' A' . . . . . 0.795 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 117.318 8.576 . 0.584 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.877 3 C1'-O4'-C4' 116.798 7.998 . 0.22 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 343' ' ' ' A' . . . . . 0.627 ' C2 ' ' C6 ' ' B' ' 323' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 117.185 8.428 . 0.616 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 344' ' ' ' C' . . . . . 0.53 ' C4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 O4'-C4'-C3' 92.629 -9.194 . 0.442 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 345' ' ' ' C' . . . . . 0.787 ' C4 ' ' C5 ' ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 93.081 -8.871 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 346' ' ' ' C' . . . . . 0.787 ' C5 ' ' C4 ' ' B' ' 345' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.873 1 O4'-C4'-C3' 90.578 -10.659 . 0.613 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 347' ' ' ' G' . . . . . 0.709 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 O4'-C4'-C3' 94.235 -8.046 . 0.322 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 348' ' ' ' G' . . . . . 0.709 ' C5 ' ' C6 ' ' B' ' 347' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 O4'-C4'-C3' 92.199 -9.501 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 349' ' ' ' C' . . . . . 0.469 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.962 3 O4'-C4'-C3' 91.513 -9.991 . 0.048 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 350' ' ' ' C' . . . . . 0.431 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.896 3 O4'-C4'-C3' 91.899 -9.715 . 0.452 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 C1'-O4'-C4' 117.232 8.481 . 0.411 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 352' ' ' ' C' . . . . . 0.415 ' C4 ' ' N6 ' ' B' ' 353' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 O4'-C4'-C3' 93.304 -8.712 . 0.59 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 353' ' ' ' A' . . . . . 0.415 ' N6 ' ' C4 ' ' B' ' 352' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.173 8.414 . 0.46 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 354' ' ' ' A' . . . . . 0.501 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 O4'-C4'-C3' 93.901 -8.285 . 0.794 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 355' ' ' ' C' . . . . . 0.515 " H2'" ' C6 ' ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 92.372 -9.377 . 0.768 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 356' ' ' ' C' . . . . . 0.515 ' C6 ' " H2'" ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 93.25 -8.75 . 0.107 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 357' ' ' ' C' . . . . . 0.515 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 116.095 7.216 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 358' ' ' ' U' . . . . . 0.517 " H2'" ' C8 ' ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.05 2 O4'-C4'-C3' 92.824 -9.054 . 0.188 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 359' ' ' ' G' . . . . . 0.517 ' C8 ' " H2'" ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 116.905 8.116 . 0.034 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 360' ' ' ' G' . . . . . 0.569 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.865 2 O4'-C4'-C3' 94.173 -8.091 . 0.415 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 361' ' ' ' G' . . . . . 0.569 ' C8 ' " H2'" ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.029 2 O4'-C4'-C3' 93.125 -8.839 . 0.323 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 362' ' ' ' A' . . . . . 0.561 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 117.224 8.471 . 0.519 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 363' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 117.23 8.478 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 1 C1'-O4'-C4' 105.762 -4.265 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 1 C1'-O4'-C4' 104.459 -5.712 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 91.889 -9.722 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 117.236 8.485 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 368' ' ' ' C' . . . . . 0.411 " H2'" ' C6 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.072 2 O4'-C4'-C3' 92.136 -9.546 . 0.164 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 369' ' ' ' C' . . . . . 0.504 " H2'" ' C6 ' ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 93.098 -8.858 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 370' ' ' ' C' . . . . . 0.504 ' C6 ' " H2'" ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 92.566 -9.239 . 0.251 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 116.893 8.103 . 0.361 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 O4'-C4'-C3' 94.084 -8.154 . 0.62 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 373' ' ' ' G' . . . . . 0.573 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 116.729 7.921 . 0.02 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 374' ' ' ' G' . . . . . 0.58 ' C6 ' ' C4 ' ' B' ' 375' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 116.925 8.138 . 0.024 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 375' ' ' ' U' . . . . . 0.58 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.888 3 O4'-C4'-C3' 92.062 -9.598 . 0.709 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 376' ' ' ' U' . . . . . 0.545 ' C4 ' ' O6 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.057 2 O4'-C4'-C3' 93.672 -8.448 . 0.503 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.7 p -56.66 112.34 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.4 t -141.92 147.07 22.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 6' ' ' GLY . 74.5 t -92.33 117.73 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.05 -84.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 4' ' ' VAL . . . 42.74 -118.09 1.69 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -163.92 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.21 98.76 7.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.391 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -109.93 155.85 21.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -60.46 131.52 51.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.95 171.71 13.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -134.2 80.7 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.259 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.86 147.56 16.28 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.44 1.087 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.89 -124.96 3.07 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 169.76 177.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mtm-85 -159.75 -81.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.263 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.62 145.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -79.13 52.79 1.34 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.6 m 51.13 36.31 15.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 22' ' ' ASP . 31.2 mt-30 59.44 40.97 20.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.304 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.46 HD21 ' C2 ' ' B' ' 309' ' ' ' G' . 0.5 OUTLIER -48.96 94.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.477 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.9 OUTLIER -69.35 154.0 42.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.068 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 0.0 OUTLIER -67.26 -6.69 19.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.53 25.44 4.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.405 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 38.8 tt0 -116.86 133.8 55.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 49.3 t -60.31 131.09 49.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 108.288 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.19 25.43 6.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 9.8 t80 -122.82 -64.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 27.9 p -94.58 -9.89 33.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.295 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 74.82 23.03 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.607 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 50.7 mt-10 -90.23 115.45 27.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.77 127.85 33.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.269 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 138.82 -55.38 0.67 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.447 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 23.4 p-80 -108.9 160.4 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.67 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -92.11 158.76 16.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.009 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.497 ' CB ' ' O6 ' ' B' ' 309' ' ' ' G' . . . -59.8 -33.59 71.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -66.78 -10.3 46.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -129.64 25.79 5.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.371 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.471 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 35.9 t -71.88 134.15 83.73 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 108.229 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.471 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.0 Cg_endo -75.07 2.27 6.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 1.4 ttmt -88.29 -25.91 22.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.41 ' NZ ' ' N3 ' ' B' ' 307' ' ' ' C' . 3.6 mttt -42.95 101.99 0.26 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -50.21 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.558 1.82 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.14 89.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.503 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . -131.55 157.69 22.45 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.503 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.05 -33.66 3.91 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.953 -2.52 . . . . 0.0 111.04 0.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -171.67 122.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.579 1.174 . . . . 0.0 110.358 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -117.28 94.72 0.63 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 147.76 34.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.54 1.81 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.84 114.71 58.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -179.99 5.54 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.479 1.779 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -163.93 160.6 22.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 110.341 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.8 t -155.67 58.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.443 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.87 162.55 13.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.99 -44.78 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 C1'-O4'-C4' 116.777 7.975 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 92.668 -9.166 . 0.694 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.021 2 O4'-C4'-C3' 93.61 -8.493 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 116.758 7.953 . 0.523 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 280' ' ' ' G' . . . . . 0.418 ' C2 ' ' O2 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 117.058 8.286 . 0.553 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.871 2 O4'-C4'-C3' 92.633 -9.191 . 0.762 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 282' ' ' AP7 . . . . . 0.564 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . 0.564 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 117.202 8.447 . 0.205 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 C1'-O4'-C4' 117.197 8.441 . 0.827 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 285' ' ' ' A' . . . . . 0.795 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.027 2 C1'-O4'-C4' 117.102 8.335 . 0.043 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.995 2 O4'-C4'-C3' 92.66 -9.171 . 0.407 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 287' ' ' ' U' . . . . . 0.427 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 O4'-C4'-C3' 91.438 -10.045 . 0.763 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 288' ' ' ' U' . . . . . 0.482 ' C4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 91.57 -9.95 . 0.711 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 289' ' ' ' G' . . . . . 0.506 " O2'" ' C8 ' ' B' ' 290' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 O4'-C4'-C3' 90.818 -10.487 . 0.644 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 290' ' ' ' A' . . . . . 0.506 ' C8 ' " O2'" ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 115.93 7.034 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 291' ' ' ' G' . . . . . 0.659 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 117.208 8.453 . 0.016 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 292' ' ' ' A' . . . . . 0.659 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 91.83 -9.764 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 293' ' ' ' A' . . . . . 0.423 " O5'" " H2'" ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.391 7.546 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 C1'-O4'-C4' 116.904 8.116 . 0.21 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 295' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.873 2 O4'-C4'-C3' 93.061 -8.885 . 0.204 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 296' ' ' ' U' . . . . . 0.455 " H2'" ' C8 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.996 -8.931 . 0.691 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 297' ' ' ' A' . . . . . 0.795 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 O4'-C4'-C3' 93.228 -8.765 . 0.646 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.855 3 O4'-C4'-C3' 92.249 -9.465 . 0.176 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 299' ' ' ' C' . . . . . 0.499 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.026 3 O4'-C4'-C3' 91.734 -9.833 . 0.363 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 300' ' ' ' U' . . . . . 0.631 ' C4 ' ' N4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.761 2 C1'-O4'-C4' 117.413 8.681 . 0.772 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 301' ' ' ' C' . . . . . 0.817 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.923 3 O4'-C4'-C3' 92.726 -9.124 . 0.139 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 302' ' ' ' U' . . . . . 0.817 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 C1'-O4'-C4' 117.249 8.498 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 303' ' ' ' G' . . . . . 0.465 ' C5 ' ' C5 ' ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.87 2 O4'-C4'-C3' 92.937 -8.973 . 0.534 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 304' ' ' ' U' . . . . . 0.577 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 C1'-O4'-C4' 116.189 7.321 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 305' ' ' ' A' . . . . . 0.577 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.929 3 O4'-C4'-C3' 91.496 -10.003 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 306' ' ' ' U' . . . . . 0.507 ' C2 ' ' HA ' ' A' ' 29' ' ' CYS . . . . . . . . 0 C3'--C2' 1.504 -1.895 1 O4'-C4'-C3' 91.572 -9.948 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 307' ' ' ' C' . . . . . 0.421 " H1'" ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 117.259 8.51 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 308' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 O4'-C4'-C3' 91.227 -10.195 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 309' ' ' ' G' . . . . . 0.497 ' O6 ' ' CB ' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -1.999 1 O4'-C4'-C3' 91.035 -10.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 310' ' ' ' G' . . . . . 0.474 " H2'" ' C6 ' ' B' ' 311' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 92.293 -9.434 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 311' ' ' ' C' . . . . . 0.474 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 93.165 -8.811 . 0.387 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 312' ' ' ' G' . . . . . 0.443 ' N1 ' ' N3 ' ' B' ' 350' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 115.913 7.015 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 313' ' ' ' G' . . . . . 0.476 " H2'" ' C8 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.083 2 C1'-O4'-C4' 116.964 8.183 . 0.181 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 314' ' ' ' A' . . . . . 0.645 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.022 2 C1'-O4'-C4' 116.762 7.958 . 0.639 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 315' ' ' ' C' . . . . . 0.645 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.3 -12.751 2 C1'-O4'-C4' 119.578 11.087 . 0.01 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 C1'-O4'-C4' 116.87 8.077 . 0.065 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 317' ' ' ' C' . . . . . 0.638 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 116.923 8.137 . 0.437 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 318' ' ' ' G' . . . . . 0.809 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 C1'-O4'-C4' 117.217 8.464 . 0.414 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.495 3.473 2 O4'-C4'-C3' 92.479 -9.301 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 320' ' ' ' G' . . . . . 0.809 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.96 3 C1'-O4'-C4' 114.966 5.963 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 321' ' ' ' G' . . . . . 0.638 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.893 3 O4'-C4'-C3' 92.296 -9.431 . 0.091 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 322' ' ' ' U' . . . . . 0.638 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.921 3 O4'-C4'-C3' 91.199 -10.215 . 0.212 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 323' ' ' ' G' . . . . . 0.438 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 C1'-O4'-C4' 116.675 7.861 . 0.428 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 324' ' ' ' G' . . . . . 0.674 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.882 0 C3'-C2'-O2' 102.668 -3.666 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 325' ' ' ' A' . . . . . 0.694 ' C6 ' ' C6 ' ' B' ' 326' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.725 2 C1'-O4'-C4' 117.352 8.613 . 0.124 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 326' ' ' ' A' . . . . . 0.694 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.899 2 C1'-O4'-C4' 116.586 7.762 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 C1'-O4'-C4' 116.816 8.018 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 328' ' ' ' U' . . . . . 0.605 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 117.274 8.527 . 0.841 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 329' ' ' ' G' . . . . . 0.605 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 90.43 -10.764 . 0.564 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 330' ' ' ' U' . . . . . 0.495 ' C5 ' ' C5 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.498 2 C1'-O4'-C4' 117.065 8.294 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 331' ' ' ' G' . . . . . 0.701 ' C2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.039 2 C1'-O4'-C4' 117.462 8.735 . 0.107 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 332' ' ' ' A' . . . . . 0.701 ' C2 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 93.545 -8.539 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 333' ' ' ' A' . . . . . 0.525 " C2'" " O5'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.13 2 C1'-O4'-C4' 117.265 8.517 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 334' ' ' ' G' . . . . . 0.525 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 116.544 7.716 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 335' ' ' ' U' . . . . . 0.654 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.865 2 C1'-O4'-C4' 117.179 8.421 . 0.509 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 336' ' ' ' U' . . . . . 0.654 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.242 2 C1'-O4'-C4' 117.55 8.833 . 0.36 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 337' ' ' ' C' . . . . . 0.68 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.031 2 C1'-O4'-C4' 116.616 7.796 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 338' ' ' ' G' . . . . . 0.699 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.031 2 O4'-C4'-C3' 90.195 -10.932 . 0.076 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 339' ' ' ' G' . . . . . 0.699 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 100.52 -10.089 OUTLIER-EPSILON 0.095 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 340' ' ' ' A' . . . . . 0.592 ' N1 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.482 2.421 2 O4'-C4'-C3' 93.145 -8.825 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 341' ' ' ' A' . . . . . 0.592 ' C4 ' ' N1 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.254 2 C1'-O4'-C4' 117.478 8.753 . 0.725 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.021 2 C1'-O4'-C4' 116.695 7.883 . 0.255 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 343' ' ' ' A' . . . . . 0.661 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 117.2 8.444 . 0.799 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 344' ' ' ' C' . . . . . 0.661 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 C1'-O4'-C4' 116.701 7.89 . 0.627 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 345' ' ' ' C' . . . . . 0.789 ' C4 ' ' C5 ' ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 117.087 8.319 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 346' ' ' ' C' . . . . . 0.789 ' C5 ' ' C4 ' ' B' ' 345' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 90.704 -10.569 . 0.46 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 347' ' ' ' G' . . . . . 0.517 ' C8 ' " H2'" ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.795 7.995 . 0.182 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 348' ' ' ' G' . . . . . 0.653 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 O4'-C4'-C3' 91.931 -9.692 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 349' ' ' ' C' . . . . . 0.653 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 O4'-C4'-C3' 91.019 -10.344 . 0.034 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 350' ' ' ' C' . . . . . 0.443 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.965 3 O4'-C4'-C3' 91.551 -9.964 . 0.478 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 117.113 8.348 . 0.425 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 O4'-C4'-C3' 92.546 -9.253 . 0.468 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.827 3 C1'-O4'-C4' 117.268 8.519 . 0.277 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 354' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 93.279 -8.729 . 0.549 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 355' ' ' ' C' . . . . . 0.442 " H2'" ' C6 ' ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 O4'-C4'-C3' 92.88 -9.014 . 0.571 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 356' ' ' ' C' . . . . . 0.567 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 O4'-C4'-C3' 92.58 -9.228 . 0.589 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 357' ' ' ' C' . . . . . 0.567 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 116.712 7.902 . 0.35 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 358' ' ' ' U' . . . . . 0.444 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 O4'-C4'-C3' 93.568 -8.523 . 0.429 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 359' ' ' ' G' . . . . . 0.562 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.863 2 O4'-C4'-C3' 93.527 -8.552 . 0.03 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 360' ' ' ' G' . . . . . 0.562 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 117.029 8.254 . 0.445 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 361' ' ' ' G' . . . . . 0.569 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.02 2 C1'-O4'-C4' 117.0 8.223 . 0.347 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 362' ' ' ' A' . . . . . 0.569 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 117.181 8.423 . 0.463 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 363' ' ' ' G' . . . . . 0.405 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 117.234 8.482 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 1 C1'-O4'-C4' 104.857 -5.271 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 1 C1'-O4'-C4' 104.642 -5.509 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 1 C1'-O4'-C4' 114.834 5.816 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.022 2 C1'-O4'-C4' 117.125 8.361 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 368' ' ' ' C' . . . . . 0.473 " H2'" ' C6 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 92.632 -9.191 . 0.281 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 369' ' ' ' C' . . . . . 0.473 ' C6 ' " H2'" ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 93.856 -8.317 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 92.905 -8.997 . 0.267 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 116.857 8.063 . 0.077 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.959 8.177 . 0.682 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 373' ' ' ' G' . . . . . 0.533 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 116.878 8.087 . 0.228 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 374' ' ' ' G' . . . . . 0.533 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 117.145 8.383 . 0.021 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 375' ' ' ' U' . . . . . 0.406 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.851 3 O4'-C4'-C3' 94.092 -8.148 . 0.54 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 92.516 -9.274 . 0.608 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.1 m -76.2 110.75 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.418 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.5 t -90.92 -54.06 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.4 p -166.25 -42.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -121.26 158.21 28.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.21 139.87 14.64 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -161.52 154.7 21.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 0.721 . . . . 0.0 110.245 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -160.39 124.03 3.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 73.51 96.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 31.0 t70 -177.68 136.39 0.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.446 ' CG ' ' O ' ' A' ' 10' ' ' ASP . 18.3 mtt180 -164.77 159.46 18.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.185 . . . . 0.0 110.301 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -163.86 142.54 7.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.33 -160.76 21.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.85 112.27 3.48 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -169.81 138.37 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.29 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER 52.93 177.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.498 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.0 OUTLIER 68.35 -55.43 0.52 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.227 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.591 ' O ' ' N ' ' A' ' 20' ' ' GLN . 28.5 mtt85 -73.17 38.42 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.539 ' C ' ' O ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -26.85 -41.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.939 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.591 ' N ' ' O ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -167.36 46.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.225 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -47.77 95.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.497 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 3.5 t0 -82.55 151.25 26.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.474 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 0.0 OUTLIER -62.1 -12.21 18.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.73 29.78 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -116.43 176.93 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.554 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 39.1 t -104.96 132.99 50.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 108.263 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.652 ' HB2' ' C6 ' ' B' ' 309' ' ' ' G' . . . -92.26 20.53 5.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.384 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.629 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 2.6 t80 -124.58 -62.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.064 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.619 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 30.7 p -100.17 -20.36 16.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.332 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.619 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 1.2 mmtt 97.4 -27.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 0.0 109.239 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.527 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 47.0 mt-10 -34.46 150.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.01 138.49 44.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.77 -45.58 1.17 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 13.5 p-80 -114.02 161.47 17.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 0.744 . . . . 0.0 109.61 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -100.07 165.11 11.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' HA ' ' HB2' ' A' ' 39' ' ' CYS . . . -58.74 -37.48 76.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -65.25 -11.05 37.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -131.59 30.96 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 42' ' ' LYS . 49.8 t -80.8 131.67 59.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.282 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 3.01 5.97 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.818 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.629 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 2.9 ttmt -94.27 -26.41 16.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -79.09 114.25 42.92 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.63 4.65 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -104.21 145.43 30.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 110.303 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.79 175.93 14.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 133.19 30.28 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.985 -0.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -77.92 143.94 37.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.41 147.9 19.48 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 78.41 2.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -147.06 105.87 3.88 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.24 7.54 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.559 1.82 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -107.8 70.51 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.7 p -114.63 127.78 55.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.421 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.4 p -178.57 150.21 0.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.72 166.3 12.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 tt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 117.251 8.501 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 277' ' ' ' G' . . . . . 0.447 " H2'" ' C6 ' ' B' ' 278' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 O4'-C4'-C3' 92.562 -9.241 . 0.715 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 278' ' ' ' C' . . . . . 0.447 ' C6 ' " H2'" ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 C1'-O4'-C4' 117.079 8.31 . 0.438 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.048 2 O4'-C4'-C3' 92.95 -8.964 . 0.69 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 117.216 8.463 . 0.026 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 93.639 -8.472 . 0.495 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 282' ' ' AP7 . . . . . 0.412 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . 0.412 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 93.696 -8.431 . 0.014 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 117.205 8.45 . 0.191 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 285' ' ' ' A' . . . . . 0.639 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.976 8.195 . 0.755 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 286' ' ' ' G' . . . . . 0.419 ' C5 ' ' C6 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 O4'-C4'-C3' 92.542 -9.256 . 0.521 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 287' ' ' ' U' . . . . . 0.518 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 92.729 -9.122 . 0.536 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 288' ' ' ' U' . . . . . 0.518 ' C4 ' ' C4 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 92.395 -9.361 . 0.68 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 289' ' ' ' G' . . . . . 0.6 ' C2 ' ' C6 ' ' B' ' 293' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 O4'-C4'-C3' 91.934 -9.69 . 0.012 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 290' ' ' ' A' . . . . . 0.404 " H2'" " O5'" ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 O4'-C4'-C3' 92.701 -9.142 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 291' ' ' ' G' . . . . . 0.653 ' C2 ' ' C2 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 C1'-O4'-C4' 116.807 8.008 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 292' ' ' ' A' . . . . . 0.653 ' C2 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.851 2 C1'-O4'-C4' 116.937 8.152 . 0.086 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 293' ' ' ' A' . . . . . 0.6 ' C6 ' ' C2 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.205 8.45 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . 0.522 ' C6 ' ' C4 ' ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 117.173 8.415 . 0.797 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 295' ' ' ' C' . . . . . 0.522 ' C4 ' ' C6 ' ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.79 2 O4'-C4'-C3' 94.236 -8.046 . 0.29 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 117.28 8.534 . 0.499 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 297' ' ' ' A' . . . . . 0.639 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 O4'-C4'-C3' 93.461 -8.599 . 0.519 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 93.416 -8.632 . 0.67 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 299' ' ' ' C' . . . . . 0.526 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.012 3 O4'-C4'-C3' 91.36 -10.1 . 0.311 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 300' ' ' ' U' . . . . . 0.601 " H2'" ' C6 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.653 2 C1'-O4'-C4' 117.393 8.659 . 0.598 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 301' ' ' ' C' . . . . . 0.797 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.906 3 O4'-C4'-C3' 92.382 -9.37 . 0.229 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 302' ' ' ' U' . . . . . 0.797 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 116.823 8.025 . 0.02 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 303' ' ' ' G' . . . . . 0.559 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 91.624 -9.911 . 0.347 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 304' ' ' ' U' . . . . . 0.58 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 C1'-O4'-C4' 116.812 8.013 . 0.06 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 305' ' ' ' A' . . . . . 0.58 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.021 2 O4'-C4'-C3' 94.013 -8.205 . 0.01 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 306' ' ' ' U' . . . . . 0.43 ' C5 ' ' HD2' ' A' ' 41' ' ' LYS . . . . . . . . 0 C3'--C2' 1.504 -1.949 1 O4'-C4'-C3' 90.853 -10.462 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 307' ' ' ' C' . . . . . 0.509 " C2'" ' OP2' ' B' ' 308' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.021 2 C1'-O4'-C4' 117.191 8.435 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 308' ' ' ' U' . . . . . 0.509 ' OP2' " C2'" ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 91.458 -10.03 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 309' ' ' ' G' . . . . . 0.652 ' C6 ' ' HB2' ' A' ' 27' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 O4'-C4'-C3' 91.294 -10.147 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 310' ' ' ' G' . . . . . 0.594 ' O6 ' ' C4 ' ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.963 1 O4'-C4'-C3' 90.067 -11.023 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 311' ' ' ' C' . . . . . 0.579 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.835 2 O4'-C4'-C3' 92.329 -9.408 . 0.197 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 312' ' ' ' G' . . . . . 0.549 ' N1 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 C1'-O4'-C4' 116.3 7.445 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 313' ' ' ' G' . . . . . 0.549 ' C5 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 116.955 8.172 . 0.21 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 314' ' ' ' A' . . . . . 0.642 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 C1'-O4'-C4' 116.716 7.906 . 0.618 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 315' ' ' ' C' . . . . . 0.642 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.296 -13.059 2 C1'-O4'-C4' 119.584 11.093 . 0.014 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 1 C1'-O4'-C4' 115.595 6.661 . 0.092 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 317' ' ' ' C' . . . . . 0.64 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 117.086 8.318 . 0.316 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 318' ' ' ' G' . . . . . 0.793 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 117.142 8.38 . 0.414 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 319' ' ' ' U' . . . . . 0.406 H5'' ' OP1' ' B' ' 320' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.493 3.365 2 O4'-C4'-C3' 93.062 -8.884 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 320' ' ' ' G' . . . . . 0.793 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.013 1 C1'-O4'-C4' 114.367 5.297 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 321' ' ' ' G' . . . . . 0.655 ' C6 ' ' N3 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.966 3 O4'-C4'-C3' 92.8 -9.071 . 0.119 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 322' ' ' ' U' . . . . . 0.655 ' N3 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.04 2 O4'-C4'-C3' 91.285 -10.154 . 0.742 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 323' ' ' ' G' . . . . . 0.486 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 O4'-C4'-C3' 92.145 -9.539 . 0.403 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 324' ' ' ' G' . . . . . 0.655 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.91 0 C3'-C2'-O2' 102.694 -3.657 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 325' ' ' ' A' . . . . . 0.655 ' C6 ' ' C6 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.218 2 C1'-O4'-C4' 116.997 8.219 . 0.11 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 326' ' ' ' A' . . . . . 0.54 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.644 7.827 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 116.86 8.067 . 0.424 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 328' ' ' ' U' . . . . . 0.611 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.034 2 C1'-O4'-C4' 117.24 8.488 . 0.738 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 329' ' ' ' G' . . . . . 0.611 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 O4'-C4'-C3' 92.066 -9.596 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.051 2 O4'-C4'-C3' 91.373 -10.091 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 331' ' ' ' G' . . . . . 0.607 ' C2 ' ' N1 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 O4'-C4'-C3' 93.52 -8.557 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 332' ' ' ' A' . . . . . 0.607 ' N1 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 116.822 8.025 . 0.221 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 333' ' ' ' A' . . . . . 0.493 " C2'" " O5'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 117.266 8.517 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 334' ' ' ' G' . . . . . 0.493 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 116.913 8.126 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 335' ' ' ' U' . . . . . 0.637 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.853 2 C1'-O4'-C4' 117.092 8.324 . 0.277 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 336' ' ' ' U' . . . . . 0.637 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 C1'-O4'-C4' 117.132 8.369 . 0.378 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 337' ' ' ' C' . . . . . 0.689 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 117.331 8.59 . 0.46 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 338' ' ' ' G' . . . . . 0.689 ' N7 ' ' C4 ' ' B' ' 337' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 90.189 -10.936 . 0.255 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 339' ' ' ' G' . . . . . 0.671 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 100.557 -10.047 OUTLIER-EPSILON 0.113 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 340' ' ' ' A' . . . . . 0.597 ' N1 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.484 2.619 2 O4'-C4'-C3' 92.932 -8.977 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 341' ' ' ' A' . . . . . 0.597 ' C4 ' ' N1 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.282 2 C1'-O4'-C4' 117.441 8.712 . 0.63 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.858 8.064 . 0.248 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 343' ' ' ' A' . . . . . 0.64 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 117.209 8.454 . 0.706 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 344' ' ' ' C' . . . . . 0.64 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 O4'-C4'-C3' 93.68 -8.443 . 0.473 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 345' ' ' ' C' . . . . . 0.601 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 C1'-O4'-C4' 116.803 8.003 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 346' ' ' ' C' . . . . . 0.606 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 O4'-C4'-C3' 92.983 -8.941 . 0.083 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 347' ' ' ' G' . . . . . 0.479 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 O4'-C4'-C3' 92.948 -8.965 . 0.638 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 348' ' ' ' G' . . . . . 0.64 ' N2 ' ' C2 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 O4'-C4'-C3' 91.632 -9.905 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 349' ' ' ' C' . . . . . 0.478 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.97 3 O4'-C4'-C3' 91.365 -10.096 . 0.029 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 350' ' ' ' C' . . . . . 0.434 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 O4'-C4'-C3' 91.225 -10.196 . 0.5 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 C1'-O4'-C4' 117.272 8.525 . 0.551 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 352' ' ' ' C' . . . . . 0.473 ' N4 ' ' N6 ' ' B' ' 353' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.979 3 O4'-C4'-C3' 92.731 -9.121 . 0.412 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 353' ' ' ' A' . . . . . 0.478 " H2'" ' C8 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 92.558 -9.245 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 354' ' ' ' A' . . . . . 0.486 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.989 3 O4'-C4'-C3' 91.803 -9.783 . 0.716 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 355' ' ' ' C' . . . . . 0.563 " H2'" ' C6 ' ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 93.15 -8.822 . 0.807 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 356' ' ' ' C' . . . . . 0.563 ' C6 ' " H2'" ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 117.18 8.422 . 0.121 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 357' ' ' ' C' . . . . . 0.48 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.09 7.211 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 358' ' ' ' U' . . . . . 0.455 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 O4'-C4'-C3' 93.261 -8.742 . 0.278 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 359' ' ' ' G' . . . . . 0.441 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 C1'-O4'-C4' 117.2 8.445 . 0.395 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 360' ' ' ' G' . . . . . 0.568 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.187 8.43 . 0.217 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 361' ' ' ' G' . . . . . 0.57 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 C1'-O4'-C4' 116.948 8.165 . 0.321 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 362' ' ' ' A' . . . . . 0.57 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.218 8.465 . 0.106 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 363' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.053 2 C1'-O4'-C4' 117.286 8.541 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 O4'-C4'-C3' 93.599 -8.501 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 0 C3'-C2'-O2' 102.674 -3.664 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.021 0 C3'-C2'-O2' 102.702 -3.655 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 117.24 8.489 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 368' ' ' ' C' . . . . . 0.53 " H2'" ' C6 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 O4'-C4'-C3' 91.814 -9.776 . 0.216 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 369' ' ' ' C' . . . . . 0.53 ' C6 ' " H2'" ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 93.317 -8.702 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 370' ' ' ' C' . . . . . 0.557 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 92.397 -9.359 . 0.14 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 371' ' ' ' A' . . . . . 0.557 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 C1'-O4'-C4' 116.857 8.064 . 0.226 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.934 8.148 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 373' ' ' ' G' . . . . . 0.535 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 117.176 8.418 . 0.658 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 374' ' ' ' G' . . . . . 0.535 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 117.295 8.55 . 0.319 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 93.669 -8.45 . 0.919 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 376' ' ' ' U' . . . . . 0.594 ' C4 ' ' O6 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 93.477 -8.588 . 0.487 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.3 t -175.91 146.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 110.381 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 67.2 t -125.75 136.87 59.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 66.3 t -124.39 -78.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 p 169.11 176.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.537 1.148 . . . . 0.0 110.035 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.8 133.58 3.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.6 -63.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.585 0.814 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -154.79 170.77 20.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -172.16 -44.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -178.0 -178.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.077 . . . . 0.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -125.2 -55.62 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -149.13 140.61 23.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.43 -139.55 7.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.53 120.28 0.97 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' C ' ' O2 ' ' B' ' 308' ' ' ' U' . 0.6 OUTLIER 179.11 144.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.413 ' N ' ' O2 ' ' B' ' 308' ' ' ' U' . 8.1 mtm180 -161.04 100.94 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -174.6 97.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -88.15 42.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.301 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.78 -38.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.975 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -147.25 50.59 1.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.367 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.482 ' CD1' ' HG2' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -101.4 89.05 3.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.503 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.3 OUTLIER -76.08 157.32 33.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -65.31 -9.49 24.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.3 29.82 4.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.445 ' HG3' ' CB ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -114.13 179.15 4.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 36' ' ' ALA . 44.9 t -104.55 135.35 46.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.568 ' HB2' ' C6 ' ' B' ' 309' ' ' ' G' . . . -98.15 22.71 9.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.609 ' O ' ' C2 ' ' B' ' 306' ' ' ' U' . 11.4 t80 -123.96 -63.73 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.608 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 28.1 p -96.31 -10.23 28.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 108.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 83.47 -18.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.608 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 48.1 mt-10 -47.8 140.67 6.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.241 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.445 ' CB ' ' HG3' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -99.35 137.71 37.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.23 -45.41 1.14 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.614 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 39.3 p-80 -116.79 167.96 10.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.578 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -99.84 166.03 11.28 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.417 ' HB2' ' O6 ' ' B' ' 309' ' ' ' G' . . . -56.49 -45.97 80.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -9.21 25.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.415 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -119.1 16.37 13.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.614 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 18.0 t -69.92 131.54 89.14 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 108.353 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 0.79 8.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.503 ' HE2' ' C4 ' ' B' ' 306' ' ' ' U' . 1.6 mttt -93.84 -23.02 18.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.78 110.15 2.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 55.24 3.93 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.59 161.49 23.88 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.467 1.104 . . . . 0.0 110.25 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.74 175.74 18.22 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.521 1.138 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -170.9 8.7 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.971 0.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.99 165.99 30.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.227 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.75 103.07 1.67 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.66 17.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.6 ptt-85 -111.62 142.19 26.1 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' THR . 18.2 Cg_endo -75.0 130.88 13.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.376 1.724 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -65.42 74.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' PRO . 5.1 m -58.91 106.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.9 m -93.19 116.96 29.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.932 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -61.17 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.345 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 116.543 7.715 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 277' ' ' ' G' . . . . . 0.451 " H2'" ' C6 ' ' B' ' 278' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 92.995 -8.932 . 0.517 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 278' ' ' ' C' . . . . . 0.451 ' C6 ' " H2'" ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 117.101 8.334 . 0.637 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 O4'-C4'-C3' 93.0 -8.929 . 0.463 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 117.275 8.527 . 0.072 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 281' ' ' ' U' . . . . . 0.444 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 93.33 -8.693 . 0.229 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 282' ' ' AP7 . . . . . 0.567 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . 0.567 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.875 2 C1'-O4'-C4' 116.986 8.206 . 0.438 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.849 2 C1'-O4'-C4' 116.854 8.06 . 0.546 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 285' ' ' ' A' . . . . . 0.787 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 117.262 8.514 . 0.049 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 O4'-C4'-C3' 93.791 -8.363 . 0.562 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 287' ' ' ' U' . . . . . 0.462 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 O4'-C4'-C3' 92.718 -9.13 . 0.532 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 288' ' ' ' U' . . . . . 0.527 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 O4'-C4'-C3' 91.851 -9.749 . 0.546 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 289' ' ' ' G' . . . . . 0.527 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 92.307 -9.423 . 0.327 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 290' ' ' ' A' . . . . . 0.451 " H2'" " C5'" ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 91.713 -9.848 . 0.141 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 291' ' ' ' G' . . . . . 0.722 ' C2 ' ' C2 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 116.849 8.054 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 292' ' ' ' A' . . . . . 0.722 ' C2 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 O4'-C4'-C3' 92.711 -9.135 . 0.034 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 293' ' ' ' A' . . . . . 0.407 " O5'" " H2'" ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 116.741 7.935 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . 0.487 " H2'" ' C6 ' ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 117.319 8.577 . 0.756 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 295' ' ' ' C' . . . . . 0.487 ' C6 ' " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 93.948 -8.251 . 0.335 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 296' ' ' ' U' . . . . . 0.473 " H2'" ' C8 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 C1'-O4'-C4' 117.012 8.236 . 0.51 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 297' ' ' ' A' . . . . . 0.787 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 O4'-C4'-C3' 94.029 -8.194 . 0.522 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . 0.408 " H2'" " O4'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.92 3 O4'-C4'-C3' 93.446 -8.61 . 0.328 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 299' ' ' ' C' . . . . . 0.521 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.976 3 O4'-C4'-C3' 92.089 -9.579 . 0.448 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 300' ' ' ' U' . . . . . 0.603 " H2'" ' C6 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.633 2 C1'-O4'-C4' 117.488 8.765 . 0.613 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 301' ' ' ' C' . . . . . 0.807 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.98 3 O4'-C4'-C3' 91.481 -10.013 . 0.151 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 302' ' ' ' U' . . . . . 0.807 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 117.163 8.404 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 303' ' ' ' G' . . . . . 0.638 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 91.637 -9.902 . 0.368 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 304' ' ' ' U' . . . . . 0.602 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 93.532 -8.549 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 305' ' ' ' A' . . . . . 0.602 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.907 1 O4'-C4'-C3' 91.139 -10.258 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 306' ' ' ' U' . . . . . 0.609 ' C2 ' ' O ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C3'--C2' 1.504 -1.938 1 O4'-C4'-C3' 91.615 -9.918 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 307' ' ' ' C' . . . . . 0.511 " C2'" ' OP2' ' B' ' 308' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.907 3 C1'-O4'-C4' 117.247 8.496 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 308' ' ' ' U' . . . . . 0.511 ' OP2' " C2'" ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 O4'-C4'-C3' 92.27 -9.45 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 309' ' ' ' G' . . . . . 0.568 ' C6 ' ' HB2' ' A' ' 27' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -2.0 3 O4'-C4'-C3' 91.367 -10.095 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 310' ' ' ' G' . . . . . 0.48 ' C8 ' " H2'" ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.258 -8.744 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 93.453 -8.605 . 0.277 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 312' ' ' ' G' . . . . . 0.533 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 116.389 7.544 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 313' ' ' ' G' . . . . . 0.602 " H2'" ' C8 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 117.273 8.525 . 0.085 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 314' ' ' ' A' . . . . . 0.653 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 C1'-O4'-C4' 116.754 7.948 . 0.564 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 315' ' ' ' C' . . . . . 0.653 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.302 -12.591 2 C1'-O4'-C4' 119.542 11.046 . 0.01 1b . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 316' ' ' ' C' . . . . . 0.564 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.978 3 C1'-O4'-C4' 116.532 7.702 . 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 317' ' ' ' C' . . . . . 0.564 ' C6 ' " H2'" ' B' ' 316' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 117.295 8.55 . 0.469 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 318' ' ' ' G' . . . . . 0.799 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 117.091 8.324 . 0.329 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.488 2.929 2 O4'-C4'-C3' 92.034 -9.619 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 320' ' ' ' G' . . . . . 0.799 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 115.12 6.133 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 321' ' ' ' G' . . . . . 0.667 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.983 3 O4'-C4'-C3' 92.052 -9.606 . 0.113 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 322' ' ' ' U' . . . . . 0.667 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.906 3 O4'-C4'-C3' 91.025 -10.34 . 0.421 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 323' ' ' ' G' . . . . . 0.549 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 C1'-O4'-C4' 116.561 7.735 . 0.373 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 324' ' ' ' G' . . . . . 0.738 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.956 0 C3'-C2'-O2' 102.729 -3.645 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 325' ' ' ' A' . . . . . 0.738 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.982 2 C1'-O4'-C4' 117.432 8.702 . 0.054 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 326' ' ' ' A' . . . . . 0.608 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 C1'-O4'-C4' 116.684 7.871 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.856 8.062 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 328' ' ' ' U' . . . . . 0.478 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.712 7.903 . 0.7 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 329' ' ' ' G' . . . . . 0.589 ' C6 ' ' OP2' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 O4'-C4'-C3' 92.711 -9.135 . 0.058 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 330' ' ' ' U' . . . . . 0.47 ' C6 ' " O5'" ' B' ' 330' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.302 -12.567 3 C1'-O4'-C4' 119.008 10.454 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' B' B ' 331' ' ' ' G' . . . . . 0.589 ' OP2' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 93.572 -8.52 . 0.13 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 332' ' ' ' A' . . . . . 0.58 ' C8 ' " H2'" ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 116.824 8.027 . 0.234 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 333' ' ' ' A' . . . . . 0.51 " C2'" " O5'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.347 7.497 . 0.036 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 334' ' ' ' G' . . . . . 0.51 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 116.702 7.892 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 335' ' ' ' U' . . . . . 0.622 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.255 8.505 . 0.517 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 336' ' ' ' U' . . . . . 0.622 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 C1'-O4'-C4' 117.05 8.278 . 0.542 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 337' ' ' ' C' . . . . . 0.618 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.832 1 O4'-C4'-C3' 91.055 -10.318 . 0.503 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 338' ' ' ' G' . . . . . 0.823 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 90.385 -10.796 . 0.401 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 339' ' ' ' G' . . . . . 0.823 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 99.304 -11.44 OUTLIER-EPSILON 0.022 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 340' ' ' ' A' . . . . . 0.794 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.478 2.06 2 O4'-C4'-C3' 92.443 -9.327 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 341' ' ' ' A' . . . . . 0.794 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.865 2 C1'-O4'-C4' 117.264 8.515 . 0.649 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.631 7.813 . 0.724 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 343' ' ' ' A' . . . . . 0.62 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 C1'-O4'-C4' 117.185 8.428 . 0.744 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 344' ' ' ' C' . . . . . 0.62 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 O4'-C4'-C3' 93.788 -8.366 . 0.584 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 345' ' ' ' C' . . . . . 0.601 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 93.708 -8.423 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 346' ' ' ' C' . . . . . 0.662 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 90.799 -10.501 . 0.535 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 347' ' ' ' G' . . . . . 0.756 ' C6 ' ' C6 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 93.484 -8.583 . 0.33 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 348' ' ' ' G' . . . . . 0.756 ' C6 ' ' C6 ' ' B' ' 347' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.039 2 O4'-C4'-C3' 93.142 -8.827 . 0.405 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 349' ' ' ' C' . . . . . 0.642 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.996 3 O4'-C4'-C3' 91.456 -10.031 . 0.019 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 350' ' ' ' C' . . . . . 0.44 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.029 3 O4'-C4'-C3' 91.986 -9.653 . 0.194 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 C1'-O4'-C4' 117.203 8.448 . 0.445 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.816 3 O4'-C4'-C3' 92.052 -9.606 . 0.502 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.032 3 C1'-O4'-C4' 117.116 8.351 . 0.184 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 354' ' ' ' A' . . . . . 0.534 ' C6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.976 3 C1'-O4'-C4' 116.976 8.195 . 0.499 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 355' ' ' ' C' . . . . . 0.534 ' N4 ' ' C6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 O4'-C4'-C3' 93.149 -8.822 . 0.521 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 356' ' ' ' C' . . . . . 0.544 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 O4'-C4'-C3' 93.489 -8.58 . 0.252 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 357' ' ' ' C' . . . . . 0.544 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 116.121 7.245 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 358' ' ' ' U' . . . . . 0.45 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.998 3 O4'-C4'-C3' 91.55 -9.964 . 0.105 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 359' ' ' ' G' . . . . . 0.568 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 O4'-C4'-C3' 93.181 -8.799 . 0.239 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 360' ' ' ' G' . . . . . 0.568 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 93.971 -8.235 . 0.272 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 361' ' ' ' G' . . . . . 0.568 ' C8 ' " H2'" ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 93.409 -8.636 . 0.261 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 362' ' ' ' A' . . . . . 0.563 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 117.236 8.484 . 0.527 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 363' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 117.224 8.471 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 1 C1'-O4'-C4' 104.849 -5.279 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 0 C3'-C2'-O2' 102.715 -3.65 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 O4'-C4'-C3' 94.206 -8.067 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 117.07 8.3 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 368' ' ' ' C' . . . . . 0.428 ' C4 ' ' N4 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 C1'-O4'-C4' 116.984 8.204 . 0.521 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 369' ' ' ' C' . . . . . 0.428 ' N4 ' ' C4 ' ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 117.006 8.228 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 370' ' ' ' C' . . . . . 0.453 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 O4'-C4'-C3' 92.496 -9.288 . 0.282 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 371' ' ' ' A' . . . . . 0.453 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 116.811 8.013 . 0.149 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 116.838 8.042 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 373' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 117.191 8.435 . 0.347 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 374' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 3 O4'-C4'-C3' 93.376 -8.66 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.057 3 O4'-C4'-C3' 91.387 -10.081 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 376' ' ' ' U' . . . . . 0.48 " H2'" ' C8 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 O4'-C4'-C3' 92.093 -9.576 . 0.335 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.0 t -151.95 130.6 12.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.111 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -131.56 132.7 62.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.425 1.078 . . . . 0.0 109.241 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.4 m -73.96 125.68 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.76 111.85 6.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.5 -128.77 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.557 1.161 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -143.36 149.51 37.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.774 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.72 137.46 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -74.31 106.69 6.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.05 104.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.24 117.46 4.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 73.62 10.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.4 177.98 35.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.24 84.31 0.33 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -165.87 142.64 5.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 110.344 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -113.95 -58.63 2.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.439 ' NE ' ' O2 ' ' B' ' 308' ' ' ' U' . 1.3 tpt180 -146.13 -66.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.598 ' O ' ' C ' ' A' ' 19' ' ' SER . 2.9 mtt85 -108.06 50.8 0.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.598 ' C ' ' O ' ' A' ' 18' ' ' ARG . 29.2 t -21.5 -50.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.558 ' N ' ' O ' ' A' ' 18' ' ' ARG . 1.4 tt0 -160.89 52.28 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.602 HD23 ' C2 ' ' B' ' 309' ' ' ' G' . 0.0 OUTLIER -67.0 97.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 9.9 t0 -73.65 155.36 39.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -4.94 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -132.99 24.11 4.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.52 1.137 . . . . 0.0 109.362 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -117.83 138.63 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 44.9 t -62.19 132.87 54.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 108.308 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.478 ' HB1' ' C6 ' ' B' ' 309' ' ' ' G' . . . -96.26 28.29 3.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.609 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 33.3 t80 -128.66 -62.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 27.5 p -95.94 -14.01 23.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 108.265 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.1 23.37 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.563 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 47.3 mt-10 -87.1 117.05 25.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.42 119.93 19.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.41 -59.29 0.5 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.072 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.578 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 31.0 p-80 -104.34 159.31 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.744 . . . . 0.0 109.599 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -93.11 163.19 13.73 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.529 ' CB ' ' O6 ' ' B' ' 309' ' ' ' G' . . . -59.62 -36.24 75.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -7.25 22.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.92 27.61 4.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.578 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 38.0 t -74.13 131.2 81.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 108.217 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 1.21 8.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.609 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -84.0 -25.54 29.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.356 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -40.95 100.49 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 107.45 2.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.531 1.806 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 58.84 111.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.404 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . 173.28 170.43 36.86 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.404 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -75.04 161.18 95.34 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.015 0.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 136.03 29.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.98 173.84 50.06 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 59.05 5.09 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.443 1.759 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.6 85.24 0.19 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.233 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 79.48 2.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -160.88 64.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.235 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.6 p 43.03 77.24 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.396 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.9 t -177.21 88.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.1 137.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.265 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 117.047 8.275 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 277' ' ' ' G' . . . . . 0.403 " H2'" ' C6 ' ' B' ' 278' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.812 2 O4'-C4'-C3' 93.17 -8.807 . 0.653 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 278' ' ' ' C' . . . . . 0.403 ' C6 ' " H2'" ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 117.153 8.392 . 0.307 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 93.332 -8.691 . 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 117.14 8.378 . 0.226 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.86 2 O4'-C4'-C3' 93.085 -8.868 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 282' ' ' AP7 . . . . . 0.517 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . 0.517 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 O4'-C4'-C3' 93.795 -8.361 . 0.344 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . 0.507 ' C2 ' ' N2 ' ' B' ' 298' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 C1'-O4'-C4' 117.254 8.505 . 0.112 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 285' ' ' ' A' . . . . . 0.787 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 117.268 8.52 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.072 2 O4'-C4'-C3' 92.535 -9.261 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 287' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 O4'-C4'-C3' 93.256 -8.745 . 0.538 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 288' ' ' ' U' . . . . . 0.739 ' C4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 O4'-C4'-C3' 91.596 -9.931 . 0.621 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 289' ' ' ' G' . . . . . 0.739 ' C6 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 C1'-O4'-C4' 117.169 8.41 . 0.453 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 290' ' ' ' A' . . . . . 0.463 " H2'" " C5'" ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 117.009 8.232 . 0.053 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 291' ' ' ' G' . . . . . 0.624 ' C5 ' ' C6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 117.092 8.324 . 0.029 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 292' ' ' ' A' . . . . . 0.624 ' C6 ' ' C5 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 O4'-C4'-C3' 93.629 -8.479 . 0.283 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 293' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 1 C1'-O4'-C4' 115.809 6.899 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . 0.406 " H2'" ' C6 ' ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 117.173 8.414 . 0.584 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 295' ' ' ' C' . . . . . 0.406 ' C6 ' " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 O4'-C4'-C3' 93.979 -8.23 . 0.269 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 296' ' ' ' U' . . . . . 0.408 " H2'" ' C8 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 92.268 -9.452 . 0.667 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 297' ' ' ' A' . . . . . 0.787 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 O4'-C4'-C3' 93.42 -8.628 . 0.69 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . 0.507 ' N2 ' ' C2 ' ' B' ' 284' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 92.77 -9.093 . 0.38 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 299' ' ' ' C' . . . . . 0.4 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.893 3 O4'-C4'-C3' 92.177 -9.517 . 0.51 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 300' ' ' ' U' . . . . . 0.603 " H2'" ' C6 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.785 2 C1'-O4'-C4' 117.481 8.757 . 0.689 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 301' ' ' ' C' . . . . . 0.797 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.985 3 O4'-C4'-C3' 92.733 -9.119 . 0.18 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 302' ' ' ' U' . . . . . 0.797 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 C1'-O4'-C4' 117.293 8.548 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 303' ' ' ' G' . . . . . 0.509 ' C8 ' " H2'" ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 O4'-C4'-C3' 92.187 -9.509 . 0.472 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 304' ' ' ' U' . . . . . 0.583 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 94.045 -8.182 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 305' ' ' ' A' . . . . . 0.583 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.047 3 O4'-C4'-C3' 91.904 -9.711 . 0.107 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 306' ' ' ' U' . . . . . 0.536 " O2'" ' OP1' ' B' ' 307' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.007 2 O4'-C4'-C3' 92.62 -9.2 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 307' ' ' ' C' . . . . . 0.536 ' OP1' " O2'" ' B' ' 306' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 92.564 -9.24 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 308' ' ' ' U' . . . . . 0.439 ' O2 ' ' NE ' ' A' ' 17' ' ' ARG . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 O4'-C4'-C3' 93.256 -8.746 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 309' ' ' ' G' . . . . . 0.602 ' C2 ' HD23 ' A' ' 21' ' ' LEU . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 O4'-C4'-C3' 90.106 -10.996 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 310' ' ' ' G' . . . . . 0.555 ' C8 ' " H2'" ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 O4'-C4'-C3' 91.308 -10.137 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 311' ' ' ' C' . . . . . 0.424 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 O4'-C4'-C3' 92.453 -9.319 . 0.276 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 312' ' ' ' G' . . . . . 0.53 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.797 2 C1'-O4'-C4' 116.339 7.488 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 313' ' ' ' G' . . . . . 0.53 ' C5 ' ' C6 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.865 2 C1'-O4'-C4' 116.914 8.127 . 0.217 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 314' ' ' ' A' . . . . . 0.657 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.761 7.956 . 0.577 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 315' ' ' ' C' . . . . . 0.657 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.299 -12.803 2 C1'-O4'-C4' 119.578 11.087 . 0.014 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 1 C1'-O4'-C4' 115.646 6.718 . 0.169 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 317' ' ' ' C' . . . . . 0.646 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 117.179 8.421 . 0.298 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 318' ' ' ' G' . . . . . 0.806 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 117.299 8.554 . 0.379 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.497 3.665 2 O4'-C4'-C3' 92.686 -9.153 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 320' ' ' ' G' . . . . . 0.806 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.982 3 C1'-O4'-C4' 114.964 5.96 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 321' ' ' ' G' . . . . . 0.616 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.921 3 O4'-C4'-C3' 92.444 -9.326 . 0.105 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 322' ' ' ' U' . . . . . 0.616 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 92.609 -9.208 . 0.285 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 323' ' ' ' G' . . . . . 0.478 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.48 2.232 2 O4'-C4'-C3' 93.832 -8.334 . 0.054 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 324' ' ' ' G' . . . . . 0.711 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.407 2 C1'-O4'-C4' 116.915 8.127 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 325' ' ' ' A' . . . . . 0.711 ' C6 ' ' C6 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.369 2 C1'-O4'-C4' 117.393 8.659 . 0.564 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 326' ' ' ' A' . . . . . 0.618 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 116.638 7.82 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 327' ' ' ' C' . . . . . 0.415 ' C4 ' ' C6 ' ' B' ' 326' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.808 2 C1'-O4'-C4' 117.15 8.388 . 0.526 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 328' ' ' ' U' . . . . . 0.506 ' N3 ' ' C5 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 116.724 7.915 . 0.777 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 329' ' ' ' G' . . . . . 0.512 ' N1 ' ' N6 ' ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 O4'-C4'-C3' 91.564 -9.955 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 330' ' ' ' U' . . . . . 0.479 ' C5 ' ' C4 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.018 2 C1'-O4'-C4' 116.736 7.929 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 331' ' ' ' G' . . . . . 0.652 ' N2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 C1'-O4'-C4' 117.264 8.516 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 332' ' ' ' A' . . . . . 0.652 ' C2 ' ' N2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 C1'-O4'-C4' 116.818 8.02 . 0.03 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 333' ' ' ' A' . . . . . 0.521 " C2'" " O5'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 116.928 8.142 . 0.2 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 334' ' ' ' G' . . . . . 0.521 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 116.5 7.667 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 335' ' ' ' U' . . . . . 0.653 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 C1'-O4'-C4' 117.266 8.518 . 0.433 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 336' ' ' ' U' . . . . . 0.653 ' C4 ' ' N3 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.177 2 C1'-O4'-C4' 117.148 8.387 . 0.45 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 337' ' ' ' C' . . . . . 0.671 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.062 2 C1'-O4'-C4' 117.172 8.413 . 0.334 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 338' ' ' ' G' . . . . . 0.703 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.043 2 O4'-C4'-C3' 90.271 -10.878 . 0.307 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 339' ' ' ' G' . . . . . 0.703 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 100.483 -10.13 OUTLIER-EPSILON 0.01 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 340' ' ' ' A' . . . . . 0.56 ' N7 ' ' N3 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.481 2.354 3 O4'-C4'-C3' 93.322 -8.698 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 341' ' ' ' A' . . . . . 0.503 ' C5 ' ' C6 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.223 2 C1'-O4'-C4' 117.386 8.651 . 0.248 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 116.702 7.891 . 0.098 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 343' ' ' ' A' . . . . . 0.634 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 C1'-O4'-C4' 117.244 8.493 . 0.657 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 344' ' ' ' C' . . . . . 0.634 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 O4'-C4'-C3' 93.897 -8.288 . 0.548 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 345' ' ' ' C' . . . . . 0.774 ' C4 ' ' C5 ' ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.796 7.996 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 346' ' ' ' C' . . . . . 0.784 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.879 1 O4'-C4'-C3' 90.605 -10.639 . 0.742 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 347' ' ' ' G' . . . . . 0.659 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 94.153 -8.105 . 0.299 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 348' ' ' ' G' . . . . . 0.659 ' C5 ' ' C6 ' ' B' ' 347' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 91.699 -9.858 . 0.07 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 349' ' ' ' C' . . . . . 0.628 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 91.197 -10.217 . 0.042 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 350' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 3 O4'-C4'-C3' 91.258 -10.173 . 0.541 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 117.183 8.425 . 0.356 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 352' ' ' ' C' . . . . . 0.451 ' N4 ' ' O4 ' ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.888 3 O4'-C4'-C3' 92.81 -9.064 . 0.571 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 117.285 8.539 . 0.337 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 354' ' ' ' A' . . . . . 0.492 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 117.16 8.4 . 0.406 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 355' ' ' ' C' . . . . . 0.492 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.014 2 O4'-C4'-C3' 93.719 -8.415 . 0.581 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 356' ' ' ' C' . . . . . 0.532 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 93.788 -8.366 . 0.174 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 357' ' ' ' C' . . . . . 0.532 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.154 7.282 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 358' ' ' ' U' . . . . . 0.467 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.886 3 O4'-C4'-C3' 91.677 -9.874 . 0.099 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 359' ' ' ' G' . . . . . 0.571 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.07 2 O4'-C4'-C3' 92.268 -9.452 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 360' ' ' ' G' . . . . . 0.573 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 O4'-C4'-C3' 94.055 -8.175 . 0.021 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 361' ' ' ' G' . . . . . 0.573 ' C8 ' " H2'" ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 O4'-C4'-C3' 93.85 -8.321 . 0.467 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 362' ' ' ' A' . . . . . 0.571 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 C1'-O4'-C4' 117.181 8.423 . 0.489 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 363' ' ' ' G' . . . . . 0.403 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.883 2 C1'-O4'-C4' 117.164 8.405 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 1 C1'-O4'-C4' 103.021 -7.31 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 365' ' ' ' G' . . . . . 0.412 ' N3 ' " H2'" ' B' ' 365' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.008 1 C1'-O4'-C4' 102.538 -7.847 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 1 C1'-O4'-C4' 104.076 -6.138 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 116.868 8.076 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 368' ' ' ' C' . . . . . 0.43 ' C4 ' ' N4 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 93.815 -8.346 . 0.506 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 369' ' ' ' C' . . . . . 0.43 ' N4 ' ' C4 ' ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.939 8.154 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 92.659 -9.172 . 0.43 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 116.869 8.077 . 0.107 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 117.09 8.322 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 373' ' ' ' G' . . . . . 0.476 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.043 8.269 . 0.131 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 374' ' ' ' G' . . . . . 0.476 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 94.226 -8.053 . 0.319 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 375' ' ' ' U' . . . . . 0.474 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.919 3 O4'-C4'-C3' 93.08 -8.871 . 0.547 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 376' ' ' ' U' . . . . . 0.555 " H2'" ' C8 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 117.192 8.436 . 0.604 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.402 HG23 ' N ' ' A' ' 3' ' ' VAL . 3.9 m -154.89 159.72 40.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.522 1.139 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.402 ' N ' HG23 ' A' ' 2' ' ' THR . 8.9 p -156.54 146.62 11.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.44 -33.21 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.23 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -168.24 -59.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.34 -151.2 22.45 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -175.31 167.92 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 0.733 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -132.29 172.02 12.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -178.89 153.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.76 154.16 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER 177.74 165.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.491 ' O ' ' CZ ' ' A' ' 11' ' ' ARG . 10.2 mt-30 -150.74 161.49 42.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.25 -176.04 46.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.75 -169.61 11.69 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 170.65 166.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.75 . . . . 0.0 110.337 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.99 -177.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.44 -63.01 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -100.26 39.76 1.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.85 35.13 14.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 22' ' ' ASP . 0.5 OUTLIER 60.67 40.16 16.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -39.37 97.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.499 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.5 OUTLIER -73.49 151.38 41.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -70.15 0.44 6.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.581 1.176 . . . . 0.0 110.243 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -135.42 22.67 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.499 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -121.15 141.1 51.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.47 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 47.2 t -72.86 132.38 43.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 108.236 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.636 ' HB2' ' C6 ' ' B' ' 309' ' ' ' G' . . . -95.41 27.1 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.47 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 17.4 t80 -127.19 -54.91 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 111.048 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 27.4 p -104.24 -21.74 13.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 8.9 mmtt 84.71 24.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.48 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 41.9 mt-10 -88.79 120.84 30.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 118.14 20.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 146.76 -58.58 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.563 1.164 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.45 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 30.6 p-80 -103.35 167.02 10.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.787 . . . . 0.0 109.537 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -102.27 159.19 15.62 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.511 ' CB ' ' O6 ' ' B' ' 309' ' ' ' G' . . . -58.93 -33.02 70.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -9.27 24.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.89 31.16 3.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.462 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 37.2 t -72.67 134.02 82.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 108.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.462 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.05 2.98 6.05 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.442 1.759 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -106.0 -20.13 13.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -81.8 126.63 74.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.373 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -74.99 72.86 4.5 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.802 . . . . 0.0 111.02 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.42 86.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' PRO . . . 52.69 171.71 0.03 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.581 1.176 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.409 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -74.99 135.88 42.61 Favored 'Cis proline' 0 C--N 1.359 1.103 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.987 0.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -126.15 103.83 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.32 -178.86 30.02 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.143 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 129.9 12.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.34 94.99 0.52 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.2 36.22 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 176.75 76.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.409 ' CG2' H5'' ' B' ' 357' ' ' ' C' . 1.8 t -169.88 116.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.376 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.19 77.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.402 ' CD2' " O4'" ' B' ' 276' ' ' ' G' . 0.4 OUTLIER -174.86 68.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.636 1.21 . . . . 0.0 109.242 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . 0.402 " O4'" ' CD2' ' A' ' 55' ' ' LEU . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.723 7.915 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 O4'-C4'-C3' 92.292 -9.434 . 0.711 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.58 -8.514 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 O4'-C4'-C3' 93.567 -8.524 . 0.493 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.034 2 C1'-O4'-C4' 117.169 8.41 . 0.183 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 281' ' ' ' U' . . . . . 0.446 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -2.037 2 O4'-C4'-C3' 93.46 -8.6 . 0.208 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 282' ' ' AP7 . . . . . 0.518 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . 0.518 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 117.281 8.534 . 0.334 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 117.29 8.545 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 285' ' ' ' A' . . . . . 0.746 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 116.979 8.199 . 0.279 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.877 2 O4'-C4'-C3' 92.639 -9.186 . 0.882 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 287' ' ' ' U' . . . . . 0.529 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 O4'-C4'-C3' 92.57 -9.236 . 0.831 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 288' ' ' ' U' . . . . . 0.529 ' C4 ' ' C4 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 92.832 -9.048 . 0.801 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 289' ' ' ' G' . . . . . 0.485 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 92.423 -9.341 . 0.456 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 290' ' ' ' A' . . . . . 0.638 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 115.814 6.904 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 291' ' ' ' G' . . . . . 0.657 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 117.278 8.531 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 292' ' ' ' A' . . . . . 0.657 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 O4'-C4'-C3' 92.108 -9.566 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 293' ' ' ' A' . . . . . 0.404 " O5'" " H2'" ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 117.208 8.454 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.819 2 C1'-O4'-C4' 117.09 8.323 . 0.328 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 295' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.858 2 O4'-C4'-C3' 93.807 -8.352 . 0.372 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 296' ' ' ' U' . . . . . 0.421 " H2'" ' C8 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 92.489 -9.294 . 0.65 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 297' ' ' ' A' . . . . . 0.746 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 92.837 -9.045 . 0.689 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . 0.413 " H2'" " O4'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.916 3 O4'-C4'-C3' 92.185 -9.511 . 0.292 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 299' ' ' ' C' . . . . . 0.579 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.911 3 O4'-C4'-C3' 92.155 -9.532 . 0.432 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 300' ' ' ' U' . . . . . 0.611 " H2'" ' C6 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.821 2 C1'-O4'-C4' 117.461 8.734 . 0.66 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 301' ' ' ' C' . . . . . 0.815 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.824 3 O4'-C4'-C3' 92.122 -9.555 . 0.168 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 302' ' ' ' U' . . . . . 0.815 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 117.143 8.381 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 303' ' ' ' G' . . . . . 0.503 ' C5 ' ' C5 ' ' B' ' 304' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.148 2 O4'-C4'-C3' 92.201 -9.499 . 0.305 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 304' ' ' ' U' . . . . . 0.588 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.924 1 C1'-O4'-C4' 115.72 6.8 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 305' ' ' ' A' . . . . . 0.588 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 92.826 -9.053 . 0.01 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 306' ' ' ' U' . . . . . 0.482 " O2'" ' OP1' ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 92.486 -9.296 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 307' ' ' ' C' . . . . . 0.482 ' OP1' " O2'" ' B' ' 306' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 93.361 -8.671 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 308' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 O4'-C4'-C3' 92.194 -9.504 . 0.071 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 309' ' ' ' G' . . . . . 0.636 ' C6 ' ' HB2' ' A' ' 27' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 90.495 -10.718 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 310' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 91.356 -10.103 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 93.111 -8.849 . 0.349 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 312' ' ' ' G' . . . . . 0.502 ' C2 ' ' C4 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 C1'-O4'-C4' 116.348 7.498 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 313' ' ' ' G' . . . . . 0.52 ' N1 ' ' C6 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.06 2 C1'-O4'-C4' 117.126 8.363 . 0.184 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 314' ' ' ' A' . . . . . 0.627 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 C1'-O4'-C4' 116.863 8.07 . 0.397 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 315' ' ' ' C' . . . . . 0.627 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.296 -13.044 2 C1'-O4'-C4' 119.646 11.162 . 0.021 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 115.991 7.101 . 0.225 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 317' ' ' ' C' . . . . . 0.649 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 116.881 8.09 . 0.442 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 318' ' ' ' G' . . . . . 0.816 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 C1'-O4'-C4' 117.28 8.533 . 0.553 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 319' ' ' ' U' . . . . . 0.4 H5'' ' OP1' ' B' ' 320' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.491 3.178 2 O4'-C4'-C3' 92.155 -9.532 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 320' ' ' ' G' . . . . . 0.816 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 C1'-O4'-C4' 115.194 6.216 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 321' ' ' ' G' . . . . . 0.698 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.052 3 O4'-C4'-C3' 91.939 -9.687 . 0.124 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 322' ' ' ' U' . . . . . 0.698 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 O4'-C4'-C3' 90.765 -10.525 . 0.479 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 323' ' ' ' G' . . . . . 0.535 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 116.634 7.816 . 0.342 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 324' ' ' ' G' . . . . . 0.722 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.94 0 C1'-O4'-C4' 112.926 3.696 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 325' ' ' ' A' . . . . . 0.722 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.219 2 C1'-O4'-C4' 117.442 8.713 . 0.038 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 326' ' ' ' A' . . . . . 0.653 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 C1'-O4'-C4' 116.556 7.729 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.92 8.134 . 0.529 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 328' ' ' ' U' . . . . . 0.62 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 93.525 -8.553 . 0.874 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 329' ' ' ' G' . . . . . 0.62 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 O4'-C4'-C3' 92.753 -9.105 . 0.203 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 330' ' ' ' U' . . . . . 0.42 ' C6 ' " O5'" ' B' ' 330' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.303 -12.504 3 C1'-O4'-C4' 119.183 10.648 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 331' ' ' ' G' . . . . . 0.607 ' OP2' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.883 2 O4'-C4'-C3' 93.991 -8.221 . 0.299 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 332' ' ' ' A' . . . . . 0.578 ' C8 ' " H2'" ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 94.089 -8.151 . 0.221 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 333' ' ' ' A' . . . . . 0.433 " C2'" " O5'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.741 7.935 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 334' ' ' ' G' . . . . . 0.433 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 C1'-O4'-C4' 116.386 7.54 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 335' ' ' ' U' . . . . . 0.607 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 C1'-O4'-C4' 117.21 8.455 . 0.628 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 336' ' ' ' U' . . . . . 0.607 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.934 3 C1'-O4'-C4' 117.051 8.278 . 0.328 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 337' ' ' ' C' . . . . . 0.614 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 O4'-C4'-C3' 91.188 -10.223 . 0.54 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 338' ' ' ' G' . . . . . 0.825 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.095 2 O4'-C4'-C3' 90.296 -10.86 . 0.335 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 339' ' ' ' G' . . . . . 0.825 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 99.267 -11.481 OUTLIER-EPSILON 0.067 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 340' ' ' ' A' . . . . . 0.808 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.48 2.216 2 O4'-C4'-C3' 92.238 -9.473 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 341' ' ' ' A' . . . . . 0.808 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.033 2 C1'-O4'-C4' 117.308 8.565 . 0.568 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.033 2 C1'-O4'-C4' 116.759 7.955 . 0.169 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 343' ' ' ' A' . . . . . 0.586 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.835 2 C1'-O4'-C4' 116.848 8.053 . 0.683 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 344' ' ' ' C' . . . . . 0.586 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 93.431 -8.621 . 0.55 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 345' ' ' ' C' . . . . . 0.71 ' C4 ' ' C5 ' ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 O4'-C4'-C3' 92.962 -8.956 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 346' ' ' ' C' . . . . . 0.77 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.996 1 O4'-C4'-C3' 91.098 -10.287 . 0.69 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 347' ' ' ' G' . . . . . 0.647 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 O4'-C4'-C3' 93.562 -8.527 . 0.253 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 348' ' ' ' G' . . . . . 0.649 ' N2 ' ' C2 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 O4'-C4'-C3' 92.768 -9.094 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 349' ' ' ' C' . . . . . 0.621 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.073 2 O4'-C4'-C3' 91.032 -10.335 . 0.057 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 350' ' ' ' C' . . . . . 0.419 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.946 3 O4'-C4'-C3' 91.699 -9.858 . 0.451 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 C1'-O4'-C4' 117.183 8.426 . 0.379 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 O4'-C4'-C3' 93.502 -8.57 . 0.539 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 117.316 8.573 . 0.34 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 354' ' ' ' A' . . . . . 0.496 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.926 8.14 . 0.639 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 355' ' ' ' C' . . . . . 0.496 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 93.321 -8.699 . 0.592 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 356' ' ' ' C' . . . . . 0.546 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 92.11 -9.565 . 0.08 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 357' ' ' ' C' . . . . . 0.546 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 116.121 7.246 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 358' ' ' ' U' . . . . . 0.465 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 O4'-C4'-C3' 93.658 -8.459 . 0.219 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 359' ' ' ' G' . . . . . 0.572 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 O4'-C4'-C3' 93.11 -8.85 . 0.409 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 360' ' ' ' G' . . . . . 0.572 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 93.544 -8.54 . 0.297 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 361' ' ' ' G' . . . . . 0.573 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 93.821 -8.342 . 0.355 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 362' ' ' ' A' . . . . . 0.573 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 117.042 8.269 . 0.538 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 363' ' ' ' G' . . . . . 0.493 " H1'" ' C2 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.365 2 C1'-O4'-C4' 117.088 8.32 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.023 1 C1'-O4'-C4' 104.686 -5.459 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 365' ' ' ' G' . . . . . 0.455 ' N3 ' " C2'" ' B' ' 365' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.087 2 C1'-O4'-C4' 116.188 7.32 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 0 C3'-C2'-O2' 102.723 -3.647 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 C1'-O4'-C4' 117.034 8.26 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 368' ' ' ' C' . . . . . 0.41 ' C4 ' ' N4 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 117.127 8.363 . 0.55 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 369' ' ' ' C' . . . . . 0.41 ' N4 ' ' C4 ' ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.858 2 C1'-O4'-C4' 116.927 8.142 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 370' ' ' ' C' . . . . . 0.428 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.018 2 O4'-C4'-C3' 92.68 -9.157 . 0.445 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 371' ' ' ' A' . . . . . 0.428 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 116.905 8.117 . 0.281 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.04 2 C1'-O4'-C4' 117.033 8.259 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 373' ' ' ' G' . . . . . 0.556 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 117.165 8.406 . 0.031 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 374' ' ' ' G' . . . . . 0.631 ' C6 ' ' C4 ' ' B' ' 375' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 C1'-O4'-C4' 116.988 8.209 . 0.181 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 375' ' ' ' U' . . . . . 0.631 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 O4'-C4'-C3' 92.247 -9.466 . 0.746 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.691 -9.149 . 0.403 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 3' ' ' VAL . 18.3 m -148.99 160.13 43.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.412 ' N ' HG22 ' A' ' 2' ' ' THR . 22.3 m -42.94 112.31 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 5' ' ' SER . 77.1 t -88.72 150.75 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.416 ' N ' HG13 ' A' ' 4' ' ' VAL . 51.0 m -102.18 -174.85 2.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.573 1.171 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.61 106.04 1.86 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.7 98.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.42 177.4 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -142.97 151.37 40.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -123.9 124.33 42.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.251 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -115.35 150.59 36.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.14 83.39 1.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.83 152.5 20.75 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.6 141.13 12.3 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -142.81 153.86 43.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 110.279 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 63.82 170.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -67.45 89.21 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.258 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.534 ' C ' ' H ' ' A' ' 20' ' ' GLN . 8.3 mtt85 40.3 43.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 20' ' ' GLN . 0.6 OUTLIER 67.62 -45.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.038 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.534 ' H ' ' C ' ' A' ' 18' ' ' ARG . 3.2 mm-40 160.22 34.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.358 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -43.45 103.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.497 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.2 OUTLIER -77.08 149.2 35.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -64.28 -9.86 20.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.15 30.47 5.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.41 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -118.79 176.25 5.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 48.8 t -111.13 131.03 55.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 108.289 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.484 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . . . -93.69 23.66 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 8.0 t80 -123.48 -64.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.809 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 26.3 p -97.01 -14.01 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 89.29 -21.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.809 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -47.19 154.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -110.94 142.68 42.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.64 -43.78 1.31 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.12 . . . . 0.0 110.978 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.57 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 29.0 p-80 -117.85 172.94 7.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.767 . . . . 0.0 109.594 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -106.03 162.82 13.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 108.012 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.24 -40.19 81.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -9.36 47.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.96 17.3 8.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.57 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 34.0 t -67.77 133.7 92.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.361 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.456 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.01 1.33 7.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.538 1.81 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -85.72 -23.7 27.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.231 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.461 ' NZ ' ' C2 ' ' B' ' 307' ' ' ' C' . 1.2 mmtt -47.43 104.87 0.43 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -178.04 3.87 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.94 120.75 21.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.58 178.72 34.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.59 1.181 . . . . 0.0 111.031 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 158.14 99.19 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.972 -0.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -173.81 111.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.71 89.25 2.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 148.38 34.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.449 1.762 . . . . 0.0 110.951 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -93.45 120.32 66.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.255 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 170.15 21.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -75.61 162.42 28.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.2 t -150.58 69.06 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.7 p -159.51 140.09 12.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.42 96.57 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 tp . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.994 8.216 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.847 2 O4'-C4'-C3' 93.077 -8.874 . 0.871 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 O4'-C4'-C3' 93.452 -8.605 . 0.44 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . 0.407 ' C6 ' ' C6 ' ' B' ' 280' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.853 2 O4'-C4'-C3' 92.175 -9.518 . 0.629 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 280' ' ' ' G' . . . . . 0.407 ' C6 ' ' C6 ' ' B' ' 279' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 117.262 8.513 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 281' ' ' ' U' . . . . . 0.452 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 O4'-C4'-C3' 93.154 -8.818 . 0.248 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 282' ' ' AP7 . . . . . 0.565 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . 0.565 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.976 8.196 . 0.384 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . 0.4 ' C2 ' ' N2 ' ' B' ' 298' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 117.257 8.507 . 0.604 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 285' ' ' ' A' . . . . . 0.797 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 C1'-O4'-C4' 117.231 8.479 . 0.073 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 O4'-C4'-C3' 92.979 -8.944 . 0.787 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 287' ' ' ' U' . . . . . 0.558 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 O4'-C4'-C3' 93.802 -8.356 . 0.512 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 288' ' ' ' U' . . . . . 0.597 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.037 2 O4'-C4'-C3' 93.15 -8.822 . 0.706 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 289' ' ' ' G' . . . . . 0.597 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.056 2 O4'-C4'-C3' 93.677 -8.445 . 0.335 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 290' ' ' ' A' . . . . . 0.649 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 116.041 7.157 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 291' ' ' ' G' . . . . . 0.726 ' C5 ' ' C6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 C1'-O4'-C4' 116.885 8.095 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 292' ' ' ' A' . . . . . 0.726 ' C6 ' ' C5 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 C1'-O4'-C4' 117.1 8.333 . 0.295 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 293' ' ' ' A' . . . . . 0.498 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 117.149 8.387 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . 0.456 ' C4 ' ' C2 ' ' B' ' 293' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 117.023 8.248 . 0.555 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 295' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 94.04 -8.185 . 0.323 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 O4'-C4'-C3' 92.39 -9.365 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 297' ' ' ' A' . . . . . 0.797 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.067 2 O4'-C4'-C3' 92.888 -9.008 . 0.695 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . 0.406 " H2'" " O4'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.887 3 O4'-C4'-C3' 92.501 -9.285 . 0.263 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 299' ' ' ' C' . . . . . 0.575 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.001 3 O4'-C4'-C3' 91.786 -9.796 . 0.243 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 300' ' ' ' U' . . . . . 0.597 ' C4 ' ' N4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.694 2 C1'-O4'-C4' 117.466 8.74 . 0.703 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 301' ' ' ' C' . . . . . 0.808 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.955 3 O4'-C4'-C3' 91.525 -9.982 . 0.214 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 302' ' ' ' U' . . . . . 0.808 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 O4'-C4'-C3' 93.618 -8.487 . 0.447 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 303' ' ' ' G' . . . . . 0.583 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 O4'-C4'-C3' 91.861 -9.742 . 0.348 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 304' ' ' ' U' . . . . . 0.597 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 92.863 -9.027 OUTLIER-EPSILON 0.081 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 305' ' ' ' A' . . . . . 0.597 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.027 1 O4'-C4'-C3' 91.036 -10.331 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 306' ' ' ' U' . . . . . 0.519 ' C2 ' ' HA ' ' A' ' 29' ' ' CYS . . . . . . . . 0 C3'--C2' 1.504 -1.953 1 O4'-C4'-C3' 91.338 -10.116 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 307' ' ' ' C' . . . . . 0.461 ' C2 ' ' NZ ' ' A' ' 42' ' ' LYS . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 117.254 8.504 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 308' ' ' ' U' . . . . . 0.484 " H2'" ' CD ' ' A' ' 18' ' ' ARG . . . . . . . . 0 C3'--C2' 1.503 -1.975 1 O4'-C4'-C3' 91.244 -10.183 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 309' ' ' ' G' . . . . . 0.497 ' N2 ' ' O ' ' A' ' 22' ' ' ASP . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 91.58 -9.943 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 310' ' ' ' G' . . . . . 0.405 ' OP2' " O3'" ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 91.909 -9.708 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 92.932 -8.977 . 0.264 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 312' ' ' ' G' . . . . . 0.514 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.803 2 C1'-O4'-C4' 116.317 7.463 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 313' ' ' ' G' . . . . . 0.528 " H2'" ' C8 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 117.125 8.361 . 0.241 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 314' ' ' ' A' . . . . . 0.545 " H2'" " O5'" ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.08 8.311 . 0.733 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 315' ' ' ' C' . . . . . 0.545 " O5'" " H2'" ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.305 -12.326 2 C1'-O4'-C4' 119.463 10.959 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' B' B ' 316' ' ' ' C' . . . . . 0.497 ' N4 ' ' N4 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.863 3 C1'-O4'-C4' 116.481 7.646 . 0.018 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 317' ' ' ' C' . . . . . 0.497 ' N4 ' ' N4 ' ' B' ' 316' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 117.192 8.436 . 0.367 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 318' ' ' ' G' . . . . . 0.806 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 117.256 8.507 . 0.55 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.493 3.318 2 O4'-C4'-C3' 91.805 -9.782 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 320' ' ' ' G' . . . . . 0.806 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.015 3 C1'-O4'-C4' 115.083 6.092 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 321' ' ' ' G' . . . . . 0.65 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.907 3 O4'-C4'-C3' 92.309 -9.422 . 0.024 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 322' ' ' ' U' . . . . . 0.65 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.007 3 O4'-C4'-C3' 91.513 -9.99 . 0.476 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 323' ' ' ' G' . . . . . 0.532 ' C6 ' ' C2 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.055 2 C1'-O4'-C4' 116.624 7.805 . 0.28 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 324' ' ' ' G' . . . . . 0.659 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.952 0 C1'-O4'-C4' 113.148 3.943 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 325' ' ' ' A' . . . . . 0.659 ' C6 ' ' C6 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.554 2 C1'-O4'-C4' 117.038 8.264 . 0.037 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 326' ' ' ' A' . . . . . 0.603 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.556 7.729 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 116.687 7.874 . 0.656 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 328' ' ' ' U' . . . . . 0.636 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 117.438 8.709 . 0.865 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 329' ' ' ' G' . . . . . 0.636 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.027 3 O4'-C4'-C3' 91.577 -9.945 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 1 O4'-C4'-C3' 90.425 -10.768 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 331' ' ' ' G' . . . . . 0.611 ' C2 ' ' N1 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 O4'-C4'-C3' 93.313 -8.705 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 332' ' ' ' A' . . . . . 0.611 ' N1 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.873 2 C1'-O4'-C4' 116.97 8.188 . 0.178 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 333' ' ' ' A' . . . . . 0.494 " C2'" " O5'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 117.084 8.315 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 334' ' ' ' G' . . . . . 0.494 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 116.767 7.964 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 335' ' ' ' U' . . . . . 0.649 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.871 2 C1'-O4'-C4' 117.182 8.424 . 0.416 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 336' ' ' ' U' . . . . . 0.649 ' C4 ' ' N3 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.128 2 C1'-O4'-C4' 117.433 8.703 . 0.43 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 337' ' ' ' C' . . . . . 0.678 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.768 7.965 . 0.023 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 338' ' ' ' G' . . . . . 0.678 ' N7 ' ' C4 ' ' B' ' 337' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 O4'-C4'-C3' 90.321 -10.842 . 0.353 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 339' ' ' ' G' . . . . . 0.632 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 C1'-O4'-C4' 99.964 -10.706 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 340' ' ' ' A' . . . . . 0.527 ' N7 ' ' N3 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.032 3 O4'-C4'-C3' 92.244 -9.468 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 341' ' ' ' A' . . . . . 0.484 ' N6 ' " H1'" ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.919 2 C1'-O4'-C4' 117.466 8.74 . 0.662 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 116.484 7.649 . 0.657 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 343' ' ' ' A' . . . . . 0.533 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 117.158 8.398 . 0.765 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 344' ' ' ' C' . . . . . 0.533 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 93.368 -8.666 . 0.535 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 345' ' ' ' C' . . . . . 0.55 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 92.991 -8.935 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 346' ' ' ' C' . . . . . 0.595 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 O4'-C4'-C3' 91.271 -10.163 . 0.905 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 347' ' ' ' G' . . . . . 0.614 ' C6 ' ' C6 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 O4'-C4'-C3' 93.865 -8.311 . 0.288 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 348' ' ' ' G' . . . . . 0.654 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 O4'-C4'-C3' 92.734 -9.118 . 0.366 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 349' ' ' ' C' . . . . . 0.654 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.965 3 O4'-C4'-C3' 91.404 -10.069 . 0.019 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 350' ' ' ' C' . . . . . 0.455 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.833 3 O4'-C4'-C3' 91.608 -9.923 . 0.173 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.051 2 C1'-O4'-C4' 117.03 8.255 . 0.445 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 93.003 -8.927 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 353' ' ' ' A' . . . . . 0.429 " H2'" ' C8 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 O4'-C4'-C3' 93.873 -8.305 . 0.48 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 354' ' ' ' A' . . . . . 0.494 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 O4'-C4'-C3' 94.023 -8.198 . 0.44 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 355' ' ' ' C' . . . . . 0.494 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 93.2 -8.786 . 0.563 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 356' ' ' ' C' . . . . . 0.526 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 93.371 -8.663 . 0.134 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 357' ' ' ' C' . . . . . 0.526 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 116.164 7.294 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 358' ' ' ' U' . . . . . 0.483 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 O4'-C4'-C3' 92.705 -9.139 . 0.223 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 359' ' ' ' G' . . . . . 0.557 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 92.914 -8.99 . 0.086 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 360' ' ' ' G' . . . . . 0.565 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 C1'-O4'-C4' 116.774 7.971 . 0.322 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 361' ' ' ' G' . . . . . 0.565 ' C8 ' " H2'" ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 117.125 8.361 . 0.483 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 362' ' ' ' A' . . . . . 0.564 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 117.226 8.473 . 0.474 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 363' ' ' ' G' . . . . . 0.405 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 117.215 8.461 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 116.733 7.925 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 0 C3'-C2'-O2' 102.677 -3.663 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 91.48 -10.015 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 117.25 8.5 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 368' ' ' ' C' . . . . . 0.419 ' C4 ' ' N4 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.021 2 O4'-C4'-C3' 93.803 -8.355 . 0.474 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 369' ' ' ' C' . . . . . 0.419 ' N4 ' ' C4 ' ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.905 8.116 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 92.479 -9.301 . 0.208 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.822 8.025 . 0.041 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.041 2 C1'-O4'-C4' 116.909 8.121 . 0.675 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 373' ' ' ' G' . . . . . 0.438 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 116.943 8.159 . 0.09 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 374' ' ' ' G' . . . . . 0.438 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.966 3 O4'-C4'-C3' 93.88 -8.3 . 0.555 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 O4'-C4'-C3' 93.254 -8.747 . 0.445 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 376' ' ' ' U' . . . . . 0.459 " H5'" " C5'" ' B' ' 308' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 116.875 8.083 . 0.441 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.0 p -63.25 126.83 28.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.351 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -136.8 142.2 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 70.0 t -111.01 108.28 25.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.366 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t -72.06 162.87 28.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.71 -117.26 6.46 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.67 161.94 28.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.66 -47.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -176.43 151.85 1.02 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -65.2 161.66 18.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.03 154.19 35.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.5 pm0 -85.55 162.09 19.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.04 -123.98 2.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.24 61.45 0.85 Allowed Glycine 0 CA--C 1.531 1.069 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.26 168.45 23.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.803 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -53.95 167.23 0.29 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 110.248 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 57.53 174.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.587 ' O ' ' C ' ' A' ' 19' ' ' SER . 1.6 ptp85 -71.76 55.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.407 1.067 . . . . 0.0 110.363 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.587 ' C ' ' O ' ' A' ' 18' ' ' ARG . 32.4 t -22.0 -77.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 22' ' ' ASP . 2.0 tt0 -127.98 30.56 5.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.643 HD22 ' C2 ' ' B' ' 309' ' ' ' G' . 0.0 OUTLIER -40.57 95.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.353 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 20' ' ' GLN . 0.4 OUTLIER -68.92 156.59 38.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -8.37 19.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -129.43 27.25 5.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.473 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 2.0 tt0 -119.67 130.82 55.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.215 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 41.8 t -63.24 138.22 58.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 108.314 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.43 ' HB2' ' O6 ' ' B' ' 309' ' ' ' G' . . . -98.9 25.34 6.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.593 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 1.9 t80 -125.6 -65.28 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 28.2 p -94.93 -15.28 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 108.261 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 78.69 22.98 0.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.565 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 47.7 mt-10 -89.01 122.78 32.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.333 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -78.61 127.35 32.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.77 -54.12 0.67 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.614 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 31.6 p-80 -108.41 162.05 14.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.644 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -94.8 163.71 13.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.526 ' CB ' ' O6 ' ' B' ' 309' ' ' ' G' . . . -58.85 -38.25 78.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -68.58 -7.12 29.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -128.36 24.12 5.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.173 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.614 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 39.1 t -73.67 130.72 83.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 1.44 7.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.441 1.758 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.593 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 3.2 ttmt -90.67 -23.89 20.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.571 ' HD2' ' C2 ' ' B' ' 307' ' ' ' C' . 13.6 mtpp -61.98 111.2 4.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -62.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 173.4 53.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.16 176.6 0.85 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.524 1.14 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -58.27 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.99 -0.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.6 tpt85 64.05 120.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.2 152.53 0.39 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -178.55 4.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.47 151.13 95.66 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.324 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -172.4 1.25 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.535 1.808 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.01 158.73 16.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.7 p -61.41 171.81 1.33 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.4 t -152.12 127.46 9.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -81.83 148.73 28.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.396 1.06 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . 0.499 ' C6 ' ' N7 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 116.798 7.997 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 277' ' ' ' G' . . . . . 0.499 ' N7 ' ' C6 ' ' B' ' 276' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 O4'-C4'-C3' 92.3 -9.428 . 0.66 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 117.139 8.376 . 0.22 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . 0.504 ' C6 ' ' N1 ' ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 92.151 -9.535 . 0.61 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 117.281 8.534 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 281' ' ' ' U' . . . . . 0.446 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 O4'-C4'-C3' 92.978 -8.944 . 0.198 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 282' ' ' AP7 . . . . . 0.493 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . 0.493 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 117.055 8.284 . 0.369 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . 0.473 ' C2 ' ' N2 ' ' B' ' 298' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 117.223 8.47 . 0.277 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 285' ' ' ' A' . . . . . 0.764 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 117.151 8.39 . 0.121 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 93.453 -8.605 . 0.718 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 287' ' ' ' U' . . . . . 0.528 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.033 2 O4'-C4'-C3' 92.211 -9.492 . 0.632 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 288' ' ' ' U' . . . . . 0.528 ' C4 ' ' C4 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 O4'-C4'-C3' 91.964 -9.669 . 0.844 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 289' ' ' ' G' . . . . . 0.508 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 91.819 -9.772 . 0.434 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 290' ' ' ' A' . . . . . 0.627 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 115.968 7.076 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 291' ' ' ' G' . . . . . 0.648 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.074 2 C1'-O4'-C4' 117.214 8.46 . 0.018 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 292' ' ' ' A' . . . . . 0.648 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 92.344 -9.397 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 293' ' ' ' A' . . . . . 0.457 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 C1'-O4'-C4' 117.191 8.435 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . 0.436 " H2'" ' C6 ' ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.877 2 C1'-O4'-C4' 117.089 8.321 . 0.284 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 295' ' ' ' C' . . . . . 0.436 ' C6 ' " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 93.394 -8.647 . 0.399 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 116.875 8.084 . 0.722 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 297' ' ' ' A' . . . . . 0.764 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.869 2 O4'-C4'-C3' 93.068 -8.88 . 0.616 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . 0.473 ' N2 ' ' C2 ' ' B' ' 284' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 92.937 -8.973 . 0.673 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 299' ' ' ' C' . . . . . 0.59 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.973 3 O4'-C4'-C3' 92.027 -9.624 . 0.465 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 300' ' ' ' U' . . . . . 0.59 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.776 2 C1'-O4'-C4' 117.451 8.724 . 0.469 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 301' ' ' ' C' . . . . . 0.807 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.949 3 O4'-C4'-C3' 91.25 -10.179 . 0.246 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 302' ' ' ' U' . . . . . 0.807 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.86 2 O4'-C4'-C3' 93.305 -8.71 . 0.448 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 303' ' ' ' G' . . . . . 0.647 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.894 1 O4'-C4'-C3' 90.657 -10.602 . 0.294 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 304' ' ' ' U' . . . . . 0.589 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 92.107 -9.566 . 0.267 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 305' ' ' ' A' . . . . . 0.589 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.932 1 O4'-C4'-C3' 90.955 -10.389 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 306' ' ' ' U' . . . . . 0.571 ' C2 ' ' O ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C3'--C2' 1.503 -1.957 1 O4'-C4'-C3' 90.947 -10.395 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 307' ' ' ' C' . . . . . 0.571 ' C2 ' ' HD2' ' A' ' 42' ' ' LYS . . . . . . . . 0 C3'--C2' 1.503 -2.016 3 C1'-O4'-C4' 116.87 8.078 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 308' ' ' ' U' . . . . . 0.472 ' C4 ' ' HA ' ' A' ' 18' ' ' ARG . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 91.749 -9.822 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 309' ' ' ' G' . . . . . 0.643 ' C2 ' HD22 ' A' ' 21' ' ' LEU . . . . . . . . 0 C3'--C2' 1.503 -2.029 3 O4'-C4'-C3' 93.452 -8.605 . 0.01 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 310' ' ' ' G' . . . . . 0.495 " C5'" " H2'" ' B' ' 309' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 O4'-C4'-C3' 92.123 -9.555 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 O4'-C4'-C3' 92.768 -9.095 . 0.307 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 312' ' ' ' G' . . . . . 0.473 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.152 7.28 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 313' ' ' ' G' . . . . . 0.608 ' C2 ' ' N3 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.12 2 C1'-O4'-C4' 117.344 8.604 . 0.233 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 314' ' ' ' A' . . . . . 0.651 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 117.009 8.232 . 0.651 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 315' ' ' ' C' . . . . . 0.651 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.307 -12.183 2 C1'-O4'-C4' 119.481 10.979 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' B' B ' 316' ' ' ' C' . . . . . 0.559 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 O4'-C4'-C3' 93.153 -8.82 . 0.221 4g . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 317' ' ' ' C' . . . . . 0.559 ' C6 ' " H2'" ' B' ' 316' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 O4'-C4'-C3' 94.091 -8.15 . 0.405 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 318' ' ' ' G' . . . . . 0.786 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 117.206 8.451 . 0.36 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.494 3.418 2 O4'-C4'-C3' 92.476 -9.303 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 320' ' ' ' G' . . . . . 0.786 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.011 1 C1'-O4'-C4' 114.754 5.726 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 321' ' ' ' G' . . . . . 0.662 ' C4 ' ' N2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.0 3 O4'-C4'-C3' 92.128 -9.551 . 0.053 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 322' ' ' ' U' . . . . . 0.526 " H2'" ' C8 ' ' B' ' 323' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.946 3 O4'-C4'-C3' 91.887 -9.724 . 0.64 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 323' ' ' ' G' . . . . . 0.526 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 116.656 7.839 . 0.348 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 324' ' ' ' G' . . . . . 0.705 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.939 0 C3'-C2'-O2' 102.709 -3.652 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 325' ' ' ' A' . . . . . 0.705 ' C6 ' ' C6 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.901 2 C1'-O4'-C4' 116.723 7.914 . 0.085 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 326' ' ' ' A' . . . . . 0.65 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.849 2 C1'-O4'-C4' 116.569 7.744 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 116.77 7.966 . 0.573 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 328' ' ' ' U' . . . . . 0.655 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.035 2 C1'-O4'-C4' 117.363 8.625 . 0.859 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 329' ' ' ' G' . . . . . 0.655 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 O4'-C4'-C3' 91.387 -10.081 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.382 2 C1'-O4'-C4' 117.492 8.769 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 331' ' ' ' G' . . . . . 0.677 ' C2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.141 2 C1'-O4'-C4' 117.382 8.646 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 332' ' ' ' A' . . . . . 0.677 ' C2 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 117.213 8.459 . 0.191 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 333' ' ' ' A' . . . . . 0.576 ' C8 ' ' C8 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.452 7.613 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 334' ' ' ' G' . . . . . 0.506 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.831 2 C1'-O4'-C4' 116.358 7.509 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 335' ' ' ' U' . . . . . 0.662 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 117.356 8.618 . 0.569 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 336' ' ' ' U' . . . . . 0.662 ' C4 ' ' N3 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.868 2 C1'-O4'-C4' 117.063 8.292 . 0.426 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 337' ' ' ' C' . . . . . 0.697 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 117.314 8.571 . 0.253 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 338' ' ' ' G' . . . . . 0.697 ' N7 ' ' C4 ' ' B' ' 337' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 90.373 -10.805 . 0.343 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 339' ' ' ' G' . . . . . 0.644 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 100.422 -10.198 OUTLIER-EPSILON 0.023 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 340' ' ' ' A' . . . . . 0.572 ' N1 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.482 2.377 2 O4'-C4'-C3' 93.013 -8.92 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 341' ' ' ' A' . . . . . 0.572 ' C4 ' ' N1 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.152 2 C1'-O4'-C4' 117.463 8.737 . 0.589 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 116.875 8.084 . 0.364 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 343' ' ' ' A' . . . . . 0.542 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 C1'-O4'-C4' 117.201 8.445 . 0.63 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 344' ' ' ' C' . . . . . 0.542 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 116.803 8.003 . 0.638 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 345' ' ' ' C' . . . . . 0.569 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.131 8.368 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 346' ' ' ' C' . . . . . 0.571 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 90.561 -10.671 . 0.607 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 347' ' ' ' G' . . . . . 0.577 ' C6 ' ' C6 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 92.862 -9.027 . 0.435 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 348' ' ' ' G' . . . . . 0.659 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.84 2 O4'-C4'-C3' 92.015 -9.632 . 0.01 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 349' ' ' ' C' . . . . . 0.659 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 O4'-C4'-C3' 91.092 -10.291 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 350' ' ' ' C' . . . . . 0.446 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 91.482 -10.013 . 0.092 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.858 2 C1'-O4'-C4' 117.223 8.47 . 0.375 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 3 O4'-C4'-C3' 92.082 -9.585 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 O4'-C4'-C3' 94.13 -8.121 . 0.569 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 354' ' ' ' A' . . . . . 0.419 ' N6 ' ' O6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 O4'-C4'-C3' 93.491 -8.578 . 0.797 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 355' ' ' ' C' . . . . . 0.565 " H2'" ' C6 ' ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 O4'-C4'-C3' 93.59 -8.507 . 0.496 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 356' ' ' ' C' . . . . . 0.565 ' C6 ' " H2'" ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 93.66 -8.457 . 0.638 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 357' ' ' ' C' . . . . . 0.493 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 115.993 7.103 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 358' ' ' ' U' . . . . . 0.46 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.051 3 O4'-C4'-C3' 91.728 -9.837 . 0.096 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 359' ' ' ' G' . . . . . 0.569 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 92.024 -9.625 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 360' ' ' ' G' . . . . . 0.569 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 116.913 8.126 . 0.056 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 361' ' ' ' G' . . . . . 0.571 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.038 2 O4'-C4'-C3' 93.283 -8.726 . 0.304 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 362' ' ' ' A' . . . . . 0.571 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.859 2 C1'-O4'-C4' 117.106 8.34 . 0.14 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 363' ' ' ' G' . . . . . 0.402 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 117.183 8.425 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 1 C1'-O4'-C4' 104.366 -5.816 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 O4'-C4'-C3' 91.42 -10.057 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 115.808 6.897 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 117.291 8.546 . 0.31 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 368' ' ' ' C' . . . . . 0.515 " H2'" ' C6 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 O4'-C4'-C3' 92.02 -9.629 . 0.169 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 369' ' ' ' C' . . . . . 0.515 ' C6 ' " H2'" ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 O4'-C4'-C3' 93.467 -8.595 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 370' ' ' ' C' . . . . . 0.422 ' C6 ' " H2'" ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 92.384 -9.369 . 0.253 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 371' ' ' ' A' . . . . . 0.409 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.933 8.147 . 0.101 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 O4'-C4'-C3' 93.838 -8.33 . 0.69 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 373' ' ' ' G' . . . . . 0.563 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.046 2 C1'-O4'-C4' 117.109 8.344 . 0.359 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 374' ' ' ' G' . . . . . 0.563 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.968 8.187 . 0.228 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 375' ' ' ' U' . . . . . 0.432 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 93.428 -8.623 . 0.526 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 376' ' ' ' U' . . . . . 0.466 " H2'" ' C8 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 92.623 -9.198 . 0.448 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.7 p -144.89 137.91 26.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.362 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 67.1 t -148.83 105.97 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.241 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.8 p -142.22 146.97 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.378 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.3 145.18 33.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.73 163.52 33.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -137.2 129.64 29.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.756 . . . . 0.0 110.324 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.86 103.69 10.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -169.87 86.03 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 175.72 157.43 0.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.392 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -135.78 129.84 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -124.34 136.8 54.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.5 -118.59 0.71 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.29 -109.31 0.91 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 60.88 126.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -143.71 101.02 3.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.34 150.88 1.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.704 ' O ' ' N ' ' A' ' 20' ' ' GLN . 5.6 mtt85 -45.3 -53.82 7.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.3 t 60.23 -56.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.944 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.704 ' N ' ' O ' ' A' ' 18' ' ' ARG . 1.1 tt0 -159.31 32.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.614 1.196 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.461 HD12 ' C5 ' ' B' ' 308' ' ' ' U' . 0.5 OUTLIER -37.55 106.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.346 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.525 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.4 OUTLIER -87.21 151.19 23.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.505 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 0.0 OUTLIER -67.15 -7.29 22.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -126.55 21.54 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.479 ' CG ' ' HG3' ' A' ' 32' ' ' LYS . 8.9 mt-30 -110.61 172.72 6.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.361 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 41.7 t -104.17 129.58 51.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.346 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.583 ' HB2' ' C6 ' ' B' ' 309' ' ' ' G' . . . -92.51 32.79 1.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.471 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 7.6 t80 -131.11 -62.73 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 24.6 p -100.71 -10.09 21.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.347 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.15 21.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.657 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -72.91 -179.77 3.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HG3' ' CG ' ' A' ' 25' ' ' GLN . 1.9 mttt -132.71 119.17 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.07 -51.98 0.84 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.598 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 22.2 p-80 -104.93 158.79 16.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 0.732 . . . . 0.0 109.595 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.697 ' CZ3' ' C4 ' ' B' ' 309' ' ' ' G' . 4.2 m95 -97.85 165.56 11.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.466 ' CB ' " H1'" ' B' ' 307' ' ' ' C' . . . -58.92 -35.52 73.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -7.29 38.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -128.25 17.03 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.369 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.598 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 19.1 t -66.86 133.41 93.97 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.422 1.076 . . . . 0.0 108.33 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.447 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.14 1.58 7.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.572 ' HE2' ' C4 ' ' B' ' 306' ' ' ' U' . 1.5 mtpt -94.7 -23.98 17.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.417 ' NZ ' ' N3 ' ' B' ' 307' ' ' ' C' . 0.0 OUTLIER -40.05 99.82 0.2 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' LYS . 18.2 Cg_endo -75.02 55.29 3.91 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.453 1.765 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 43.82 88.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -54.19 -176.73 0.11 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.582 1.176 . . . . 0.0 110.976 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.476 ' HD3' " C4'" ' B' ' 356' ' ' ' C' . 18.2 Cg_endo -75.05 148.31 91.35 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.956 -2.518 . . . . 0.0 111.019 0.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.78 137.02 0.24 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 151.83 84.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.405 1.066 . . . . 0.0 111.07 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.84 4.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -126.09 96.95 35.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.454 ' CG ' ' OP1' ' B' ' 305' ' ' ' A' . 18.3 Cg_endo -75.06 172.66 15.93 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.43 75.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.8 p -73.31 84.2 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.24 126.03 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 pp -89.92 147.2 23.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.937 8.152 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 92.092 -9.577 . 0.738 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 C1'-O4'-C4' 117.158 8.397 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.855 2 O4'-C4'-C3' 93.259 -8.744 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 117.275 8.528 . 0.08 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 281' ' ' ' U' . . . . . 0.447 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -2.039 2 O4'-C4'-C3' 93.412 -8.634 . 0.187 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 282' ' ' AP7 . . . . . 0.447 ' N6 ' ' O4 ' ' B' ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 O4'-C4'-C3' 93.419 -8.629 . 0.215 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 117.258 8.509 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 285' ' ' ' A' . . . . . 0.594 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 117.183 8.425 . 0.02 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 O4'-C4'-C3' 93.122 -8.842 . 0.929 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 287' ' ' ' U' . . . . . 0.475 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.042 2 O4'-C4'-C3' 93.037 -8.902 . 0.564 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 288' ' ' ' U' . . . . . 0.591 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.035 2 O4'-C4'-C3' 93.21 -8.778 . 0.442 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 289' ' ' ' G' . . . . . 0.591 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 91.945 -9.682 . 0.252 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 290' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 O4'-C4'-C3' 92.232 -9.477 . 0.015 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 291' ' ' ' G' . . . . . 0.599 ' C2 ' ' C2 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 116.835 8.038 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 292' ' ' ' A' . . . . . 0.599 ' C2 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 117.082 8.313 . 0.106 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 293' ' ' ' A' . . . . . 0.582 ' C6 ' ' C2 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 117.213 8.459 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . 0.407 ' C6 ' ' C4 ' ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 117.274 8.527 . 0.377 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 295' ' ' ' C' . . . . . 0.407 ' C4 ' ' C6 ' ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 O4'-C4'-C3' 94.053 -8.176 . 0.316 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 O4'-C4'-C3' 93.369 -8.665 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 297' ' ' ' A' . . . . . 0.594 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 93.184 -8.797 . 0.725 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 92.555 -9.247 . 0.163 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 299' ' ' ' C' . . . . . 0.566 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.902 3 O4'-C4'-C3' 91.772 -9.806 . 0.471 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 300' ' ' ' U' . . . . . 0.594 ' C4 ' ' N4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.755 2 C1'-O4'-C4' 117.475 8.75 . 0.754 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 301' ' ' ' C' . . . . . 0.812 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.906 3 O4'-C4'-C3' 92.429 -9.336 . 0.294 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 302' ' ' ' U' . . . . . 0.812 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 O4'-C4'-C3' 94.001 -8.214 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 303' ' ' ' G' . . . . . 0.582 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.822 2 O4'-C4'-C3' 91.726 -9.839 . 0.503 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 304' ' ' ' U' . . . . . 0.58 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 93.702 -8.427 . 0.507 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 305' ' ' ' A' . . . . . 0.58 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 92.051 -9.606 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 306' ' ' ' U' . . . . . 0.572 ' C4 ' ' HE2' ' A' ' 41' ' ' LYS . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 O4'-C4'-C3' 92.412 -9.349 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 307' ' ' ' C' . . . . . 0.466 " H1'" ' CB ' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 C1'-O4'-C4' 117.231 8.478 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 308' ' ' ' U' . . . . . 0.461 ' C5 ' HD12 ' A' ' 21' ' ' LEU . . . . . . . . 0 C3'--C2' 1.504 -1.922 1 O4'-C4'-C3' 91.587 -9.938 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 309' ' ' ' G' . . . . . 0.697 ' C4 ' ' CZ3' ' A' ' 35' ' ' TRP . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 91.854 -9.747 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 310' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 92.237 -9.474 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 O4'-C4'-C3' 92.872 -9.02 . 0.319 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 312' ' ' ' G' . . . . . 0.728 ' C2 ' ' C4 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 C1'-O4'-C4' 116.541 7.712 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 313' ' ' ' G' . . . . . 0.734 ' C2 ' ' C2 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.103 2 C1'-O4'-C4' 117.288 8.542 . 0.199 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 314' ' ' ' A' . . . . . 0.734 ' C2 ' ' C2 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 117.121 8.357 . 0.431 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 315' ' ' ' C' . . . . . 0.649 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.306 -12.25 2 C1'-O4'-C4' 119.422 10.914 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' B' B ' 316' ' ' ' C' . . . . . 0.567 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 O4'-C4'-C3' 93.303 -8.712 . 0.338 0a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 317' ' ' ' C' . . . . . 0.567 ' C6 ' " H2'" ' B' ' 316' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 O4'-C4'-C3' 94.129 -8.122 . 0.485 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 318' ' ' ' G' . . . . . 0.807 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 117.251 8.502 . 0.538 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.491 3.176 2 O4'-C4'-C3' 92.136 -9.546 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 320' ' ' ' G' . . . . . 0.807 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.904 3 C1'-O4'-C4' 115.049 6.054 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 321' ' ' ' G' . . . . . 0.66 ' C4 ' ' N2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.033 3 O4'-C4'-C3' 92.16 -9.529 . 0.113 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 322' ' ' ' U' . . . . . 0.654 ' N3 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 90.631 -10.621 . 0.471 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 323' ' ' ' G' . . . . . 0.551 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.506 7.673 . 0.352 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 324' ' ' ' G' . . . . . 0.732 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 113.375 4.194 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 325' ' ' ' A' . . . . . 0.732 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.042 2 C1'-O4'-C4' 117.352 8.614 . 0.019 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 326' ' ' ' A' . . . . . 0.619 ' C6 ' ' C4 ' ' B' ' 327' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 116.7 7.889 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 327' ' ' ' C' . . . . . 0.619 ' C4 ' ' C6 ' ' B' ' 326' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.824 8.026 . 0.507 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 328' ' ' ' U' . . . . . 0.473 ' N3 ' ' C5 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 116.713 7.903 . 0.763 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 329' ' ' ' G' . . . . . 0.522 ' N1 ' ' N6 ' ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 91.815 -9.775 . 0.219 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 330' ' ' ' U' . . . . . 0.486 ' C5 ' ' C4 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.874 8.083 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 331' ' ' ' G' . . . . . 0.66 ' N2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 117.346 8.606 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 332' ' ' ' A' . . . . . 0.66 ' C2 ' ' N2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 116.817 8.019 . 0.034 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 333' ' ' ' A' . . . . . 0.522 ' N6 ' ' N1 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 C1'-O4'-C4' 117.061 8.29 . 0.169 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 334' ' ' ' G' . . . . . 0.503 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 C1'-O4'-C4' 116.711 7.901 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 335' ' ' ' U' . . . . . 0.635 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 117.321 8.578 . 0.728 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 336' ' ' ' U' . . . . . 0.635 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.984 8.204 . 0.611 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 337' ' ' ' C' . . . . . 0.619 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.955 1 O4'-C4'-C3' 91.016 -10.346 . 0.357 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 338' ' ' ' G' . . . . . 0.817 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 O4'-C4'-C3' 90.347 -10.824 . 0.638 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 339' ' ' ' G' . . . . . 0.817 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 99.424 -11.307 OUTLIER-EPSILON 0.01 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 340' ' ' ' A' . . . . . 0.794 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 92.296 -9.431 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 341' ' ' ' A' . . . . . 0.794 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 117.24 8.489 . 0.482 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.084 2 C1'-O4'-C4' 116.617 7.797 . 0.684 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 343' ' ' ' A' . . . . . 0.509 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 117.026 8.251 . 0.775 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 344' ' ' ' C' . . . . . 0.509 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.089 2 O4'-C4'-C3' 93.503 -8.569 . 0.424 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 345' ' ' ' C' . . . . . 0.607 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 93.771 -8.378 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 346' ' ' ' C' . . . . . 0.622 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 1 O4'-C4'-C3' 90.526 -10.696 . 0.851 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 347' ' ' ' G' . . . . . 0.652 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.204 -8.783 . 0.377 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 348' ' ' ' G' . . . . . 0.652 ' C5 ' ' C6 ' ' B' ' 347' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 91.865 -9.739 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 349' ' ' ' C' . . . . . 0.64 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 O4'-C4'-C3' 90.139 -10.972 . 0.019 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 350' ' ' ' C' . . . . . 0.453 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.899 3 O4'-C4'-C3' 91.106 -10.281 . 0.473 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 351' ' ' ' G' . . . . . 0.436 ' O6 ' ' N4 ' ' B' ' 350' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 117.156 8.395 . 0.356 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 92.327 -9.409 . 0.557 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 353' ' ' ' A' . . . . . 0.49 ' N6 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.835 2 O4'-C4'-C3' 93.289 -8.722 . 0.354 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 354' ' ' ' A' . . . . . 0.493 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 C1'-O4'-C4' 116.881 8.09 . 0.808 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 355' ' ' ' C' . . . . . 0.493 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 O4'-C4'-C3' 92.168 -9.523 . 0.777 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 356' ' ' ' C' . . . . . 0.55 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 92.143 -9.541 . 0.062 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 357' ' ' ' C' . . . . . 0.55 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.875 2 C1'-O4'-C4' 116.391 7.545 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 358' ' ' ' U' . . . . . 0.414 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 93.877 -8.302 . 0.404 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 359' ' ' ' G' . . . . . 0.525 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.944 3 O4'-C4'-C3' 93.173 -8.805 . 0.206 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 360' ' ' ' G' . . . . . 0.564 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 94.211 -8.064 . 0.131 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 361' ' ' ' G' . . . . . 0.564 ' C8 ' " H2'" ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 116.987 8.208 . 0.234 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 362' ' ' ' A' . . . . . 0.561 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 117.2 8.444 . 0.492 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 363' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 117.2 8.444 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 O4'-C4'-C3' 90.851 -10.463 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.86 1 C1'-O4'-C4' 104.664 -5.484 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 1 C1'-O4'-C4' 104.476 -5.693 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 117.157 8.397 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 368' ' ' ' C' . . . . . 0.429 ' C4 ' ' N4 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 92.712 -9.134 . 0.312 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 369' ' ' ' C' . . . . . 0.429 ' N4 ' ' C4 ' ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 93.854 -8.319 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 370' ' ' ' C' . . . . . 0.508 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 92.41 -9.35 . 0.321 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 371' ' ' ' A' . . . . . 0.508 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.852 8.058 . 0.382 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 117.177 8.419 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 373' ' ' ' G' . . . . . 0.559 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 117.262 8.513 . 0.036 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 374' ' ' ' G' . . . . . 0.559 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.961 3 C1'-O4'-C4' 117.042 8.269 . 0.545 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 O4'-C4'-C3' 93.179 -8.801 . 0.513 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.046 2 O4'-C4'-C3' 93.769 -8.38 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.6 p -132.18 152.94 51.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.416 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -53.47 138.38 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.25 120.21 63.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.06 145.31 48.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.966 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -123.08 60.98 0.57 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -157.52 52.21 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -165.63 125.45 1.76 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -111.53 82.3 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.244 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.88 130.77 44.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.9 139.62 25.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -166.66 161.84 16.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.326 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.65 -151.89 21.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.453 1.095 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.19 162.88 36.36 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER 62.75 73.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 110.351 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.42 ' HA ' ' O2 ' ' B' ' 308' ' ' ' U' . 45.8 mtt-85 44.65 90.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.444 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -166.38 86.1 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.633 ' O ' ' C ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -127.6 68.3 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.633 ' C ' ' O ' ' A' ' 18' ' ' ARG . 34.0 t -16.82 -75.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.998 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.599 ' O ' ' C ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -137.61 47.59 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.599 ' C ' ' O ' ' A' ' 20' ' ' GLN . 0.6 OUTLIER -24.37 101.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.519 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.6 OUTLIER -78.44 147.41 34.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.475 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 3.2 mmm180 -68.17 -4.27 13.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.06 26.01 5.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -114.96 175.23 5.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.229 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 36' ' ' ALA . 50.4 t -101.66 131.09 48.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 108.28 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.514 ' HB1' ' C6 ' ' B' ' 309' ' ' ' G' . . . -90.54 26.15 2.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.527 ' CE2' ' OP2' ' B' ' 307' ' ' ' C' . 4.7 t80 -126.21 -61.03 1.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.579 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 23.7 p -97.93 -29.27 13.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 108.325 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 93.55 25.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.415 1.072 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.579 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -89.43 142.09 27.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -92.1 124.79 36.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.02 -50.91 0.81 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.579 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 31.1 p-80 -114.08 160.51 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.565 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.492 ' CZ3' ' C4 ' ' B' ' 309' ' ' ' G' . 4.6 m95 -100.93 167.48 10.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.481 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -59.12 -35.56 73.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 109.373 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -66.57 -8.72 28.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.243 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.56 29.54 3.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.579 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 30.2 t -75.8 133.18 73.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.433 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.01 1.41 7.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HE2' ' C4 ' ' B' ' 306' ' ' ' U' . 0.3 OUTLIER -94.52 -23.4 17.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.262 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -40.0 100.08 0.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' LYS . 18.4 Cg_endo -75.0 -66.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.98 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.98 174.02 15.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.4 ' O ' " O2'" ' B' ' 356' ' ' ' C' . . . -176.59 175.37 47.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.9 94.59 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.961 0.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.01 141.13 50.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.51 129.08 16.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 105.17 2.03 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 134.36 22.7 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.423 ' CB ' ' HG3' ' A' ' 15' ' ' GLU . 18.1 Cg_endo -75.07 162.61 36.68 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.439 1.757 . . . . 0.0 110.949 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.481 ' HG3' ' C8 ' ' B' ' 305' ' ' ' A' . 2.1 mm-40 -152.01 88.59 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 t -142.59 128.36 19.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.57 91.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.177 . . . . 0.0 109.965 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 pp -172.42 162.45 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.5 tp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.873 2 C1'-O4'-C4' 117.099 8.333 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 277' ' ' ' G' . . . . . 0.411 " H2'" ' C6 ' ' B' ' 278' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.034 2 O4'-C4'-C3' 92.532 -9.263 . 0.814 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 278' ' ' ' C' . . . . . 0.411 ' C6 ' " H2'" ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 117.186 8.429 . 0.542 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . 0.448 ' C6 ' ' C6 ' ' B' ' 280' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 O4'-C4'-C3' 93.054 -8.89 . 0.653 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 280' ' ' ' G' . . . . . 0.448 ' C6 ' ' C6 ' ' B' ' 279' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 117.193 8.437 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 281' ' ' ' U' . . . . . 0.448 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 O4'-C4'-C3' 93.014 -8.919 . 0.298 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 282' ' ' AP7 . . . . . 0.515 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . 0.515 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.02 8.244 . 0.416 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 117.232 8.48 . 0.705 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 285' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.869 2 C1'-O4'-C4' 117.314 8.572 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.058 2 O4'-C4'-C3' 92.408 -9.351 . 0.678 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 287' ' ' ' U' . . . . . 0.484 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.04 2 O4'-C4'-C3' 92.83 -9.05 . 0.783 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 288' ' ' ' U' . . . . . 0.509 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 92.183 -9.512 . 0.579 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 289' ' ' ' G' . . . . . 0.509 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 O4'-C4'-C3' 92.018 -9.63 . 0.492 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 290' ' ' ' A' . . . . . 0.638 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 116.057 7.175 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 291' ' ' ' G' . . . . . 0.646 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.21 8.456 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 292' ' ' ' A' . . . . . 0.646 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 O4'-C4'-C3' 92.029 -9.622 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 293' ' ' ' A' . . . . . 0.413 " O5'" " H2'" ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 117.153 8.392 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . 0.415 " H2'" ' C6 ' ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 116.981 8.201 . 0.269 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 295' ' ' ' C' . . . . . 0.415 ' C6 ' " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 92.956 -8.96 . 0.323 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 296' ' ' ' U' . . . . . 0.412 " H2'" ' C8 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 92.258 -9.459 . 0.544 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 297' ' ' ' A' . . . . . 0.412 ' C8 ' " H2'" ' B' ' 296' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.899 2 O4'-C4'-C3' 93.631 -8.478 . 0.693 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 3 O4'-C4'-C3' 92.575 -9.232 . 0.715 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 299' ' ' ' C' . . . . . 0.583 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.963 3 O4'-C4'-C3' 91.854 -9.747 . 0.185 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 300' ' ' ' U' . . . . . 0.604 ' C4 ' ' N4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.523 2 C1'-O4'-C4' 117.423 8.692 . 0.692 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 301' ' ' ' C' . . . . . 0.783 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.003 3 O4'-C4'-C3' 91.935 -9.689 . 0.198 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 302' ' ' ' U' . . . . . 0.783 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 117.081 8.312 . 0.513 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 303' ' ' ' G' . . . . . 0.582 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 O4'-C4'-C3' 91.949 -9.68 . 0.337 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 304' ' ' ' U' . . . . . 0.58 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 92.315 -9.418 . 0.256 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 305' ' ' ' A' . . . . . 0.58 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.073 2 O4'-C4'-C3' 93.0 -8.929 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 306' ' ' ' U' . . . . . 0.567 ' C4 ' ' HE2' ' A' ' 41' ' ' LYS . . . . . . . . 0 C3'--C2' 1.504 -1.905 1 O4'-C4'-C3' 91.312 -10.134 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 307' ' ' ' C' . . . . . 0.527 ' OP2' ' CE2' ' A' ' 28' ' ' TYR . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 117.077 8.308 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 308' ' ' ' U' . . . . . 0.444 ' OP2' " O2'" ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 O4'-C4'-C3' 91.653 -9.891 . 0.012 3a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 309' ' ' ' G' . . . . . 0.519 ' N2 ' ' O ' ' A' ' 22' ' ' ASP . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 O4'-C4'-C3' 90.327 -10.838 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 310' ' ' ' G' . . . . . 0.432 " H2'" ' C6 ' ' B' ' 311' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 91.603 -9.926 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 311' ' ' ' C' . . . . . 0.432 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 92.797 -9.074 . 0.278 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 312' ' ' ' G' . . . . . 0.488 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 115.973 7.081 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 313' ' ' ' G' . . . . . 0.638 ' C2 ' ' N3 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.596 2 C1'-O4'-C4' 117.302 8.558 . 0.197 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 314' ' ' ' A' . . . . . 0.645 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 117.034 8.26 . 0.638 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 315' ' ' ' C' . . . . . 0.645 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.306 -12.246 2 C1'-O4'-C4' 119.504 11.005 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' B' B ' 316' ' ' ' C' . . . . . 0.565 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 O4'-C4'-C3' 93.172 -8.806 . 0.096 4g . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 317' ' ' ' C' . . . . . 0.565 ' C6 ' " H2'" ' B' ' 316' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 117.179 8.421 . 0.437 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 318' ' ' ' G' . . . . . 0.805 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 117.327 8.585 . 0.489 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 319' ' ' ' U' . . . . . 0.402 H5'' ' OP1' ' B' ' 320' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.49 3.05 2 O4'-C4'-C3' 92.171 -9.52 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 320' ' ' ' G' . . . . . 0.805 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.986 3 C1'-O4'-C4' 115.108 6.12 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 321' ' ' ' G' . . . . . 0.684 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.016 3 O4'-C4'-C3' 92.466 -9.31 . 0.111 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 322' ' ' ' U' . . . . . 0.684 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.919 3 O4'-C4'-C3' 90.851 -10.464 . 0.534 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 323' ' ' ' G' . . . . . 0.568 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.888 2 C1'-O4'-C4' 116.479 7.643 . 0.352 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 324' ' ' ' G' . . . . . 0.672 ' N1 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.045 0 C3'-C2'-O2' 102.735 -3.643 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 325' ' ' ' A' . . . . . 0.672 ' C6 ' ' N1 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.504 2 C1'-O4'-C4' 117.476 8.751 . 0.082 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 326' ' ' ' A' . . . . . 0.579 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.526 7.696 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 116.801 8.001 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 328' ' ' ' U' . . . . . 0.42 ' O4 ' ' O6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.843 2 C1'-O4'-C4' 117.267 8.519 . 0.551 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 329' ' ' ' G' . . . . . 0.599 ' C5 ' ' OP2' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.004 3 O4'-C4'-C3' 91.238 -10.187 . 0.094 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 1 O4'-C4'-C3' 90.943 -10.398 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 331' ' ' ' G' . . . . . 0.65 ' C2 ' ' N1 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.012 3 C1'-O4'-C4' 117.208 8.453 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 332' ' ' ' A' . . . . . 0.65 ' N1 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 O4'-C4'-C3' 93.952 -8.249 . 0.295 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 333' ' ' ' A' . . . . . 0.502 ' N6 ' ' N1 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.19 7.322 . 0.128 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 334' ' ' ' G' . . . . . 0.416 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 116.502 7.669 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 335' ' ' ' U' . . . . . 0.631 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 117.133 8.37 . 0.73 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 336' ' ' ' U' . . . . . 0.631 ' C4 ' ' N3 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.867 2 C1'-O4'-C4' 117.002 8.225 . 0.544 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 337' ' ' ' C' . . . . . 0.604 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 91.366 -10.096 . 0.366 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 338' ' ' ' G' . . . . . 0.797 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.932 3 O4'-C4'-C3' 90.473 -10.733 . 0.26 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 339' ' ' ' G' . . . . . 0.797 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.975 1 C1'-O4'-C4' 100.45 -10.167 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' B' B ' 340' ' ' ' A' . . . . . 0.772 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.022 3 O4'-C4'-C3' 91.832 -9.763 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 341' ' ' ' A' . . . . . 0.772 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.955 2 C1'-O4'-C4' 117.328 8.587 . 0.391 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 116.802 8.002 . 0.109 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 343' ' ' ' A' . . . . . 0.634 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 C1'-O4'-C4' 117.11 8.344 . 0.631 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 344' ' ' ' C' . . . . . 0.634 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 93.251 -8.75 . 0.502 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 345' ' ' ' C' . . . . . 0.598 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.041 2 O4'-C4'-C3' 94.024 -8.197 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 346' ' ' ' C' . . . . . 0.668 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 92.336 -9.403 . 0.042 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 347' ' ' ' G' . . . . . 0.496 ' C6 ' ' C6 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.371 -8.664 . 0.517 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 348' ' ' ' G' . . . . . 0.666 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.037 2 O4'-C4'-C3' 92.041 -9.613 . 0.11 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 349' ' ' ' C' . . . . . 0.666 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.841 2 O4'-C4'-C3' 90.805 -10.496 . 0.014 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 350' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 3 O4'-C4'-C3' 91.206 -10.21 . 0.229 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 117.202 8.446 . 0.455 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 3 O4'-C4'-C3' 91.925 -9.696 . 0.578 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 353' ' ' ' A' . . . . . 0.446 " H2'" ' C8 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 117.145 8.383 . 0.342 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 354' ' ' ' A' . . . . . 0.493 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 117.185 8.427 . 0.58 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 355' ' ' ' C' . . . . . 0.513 " H2'" ' C6 ' ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 92.969 -8.951 . 0.588 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 356' ' ' ' C' . . . . . 0.524 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 93.437 -8.617 . 0.06 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 357' ' ' ' C' . . . . . 0.524 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.214 7.349 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 358' ' ' ' U' . . . . . 0.448 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 O4'-C4'-C3' 93.374 -8.661 . 0.285 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 359' ' ' ' G' . . . . . 0.562 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 O4'-C4'-C3' 93.411 -8.635 . 0.21 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 360' ' ' ' G' . . . . . 0.568 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.068 2 C1'-O4'-C4' 116.964 8.182 . 0.047 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 361' ' ' ' G' . . . . . 0.572 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 O4'-C4'-C3' 93.953 -8.248 . 0.342 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 362' ' ' ' A' . . . . . 0.572 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 117.207 8.452 . 0.464 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 363' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 117.239 8.488 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 1 C1'-O4'-C4' 103.726 -6.527 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.869 1 O4'-C4'-C3' 91.168 -10.237 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 0 C3'-C2'-O2' 102.736 -3.643 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 117.297 8.552 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 368' ' ' ' C' . . . . . 0.449 " H2'" ' C6 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 O4'-C4'-C3' 92.114 -9.562 . 0.231 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 369' ' ' ' C' . . . . . 0.46 " H2'" ' C6 ' ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 O4'-C4'-C3' 93.428 -8.623 . 0.01 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 370' ' ' ' C' . . . . . 0.46 ' C6 ' " H2'" ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 O4'-C4'-C3' 92.467 -9.309 . 0.021 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 371' ' ' ' A' . . . . . 0.443 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.034 2 C1'-O4'-C4' 116.921 8.135 . 0.261 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.91 3 O4'-C4'-C3' 93.574 -8.518 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 373' ' ' ' G' . . . . . 0.562 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 117.208 8.453 . 0.316 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 374' ' ' ' G' . . . . . 0.562 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.958 8.176 . 0.295 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 3 O4'-C4'-C3' 92.772 -9.092 . 0.626 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 376' ' ' ' U' . . . . . 0.426 " H2'" ' C8 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 92.652 -9.177 . 0.54 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.7 m -113.37 56.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.351 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 p -173.4 142.72 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.6 p -114.7 106.71 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -134.72 163.31 30.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.08 153.52 24.48 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.556 1.16 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.454 ' NE2' ' OP1' ' B' ' 304' ' ' ' U' . 3.0 pt20 -124.17 151.84 43.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -77.16 95.51 4.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.436 ' OE1' ' NH1' ' A' ' 11' ' ' ARG . 37.7 mm-40 -140.26 170.33 16.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -165.9 124.19 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.436 ' NH1' ' OE1' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -176.73 139.41 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -123.68 -48.57 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 110.326 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.52 -164.02 29.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' GLU . . . 123.55 177.26 15.03 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.3 pm0 33.9 90.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -72.85 64.72 0.69 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -158.5 59.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.239 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.704 ' O ' ' N ' ' A' ' 20' ' ' GLN . 1.4 mpt_? 39.52 36.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 110.338 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.599 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 28.6 t 61.0 -53.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.704 ' N ' ' O ' ' A' ' 18' ' ' ARG . 24.6 tt0 172.27 42.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.398 1.061 . . . . 0.0 110.266 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.503 ' HB2' ' CB ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -42.84 97.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.481 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -80.78 155.07 26.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -70.38 1.35 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.96 21.51 3.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -117.03 141.17 48.59 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.485 1.115 . . . . 0.0 110.354 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 48.6 t -70.96 130.56 41.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.276 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.572 ' HB2' ' C6 ' ' B' ' 309' ' ' ' G' . . . -94.54 29.27 2.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.407 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 33.6 t80 -129.33 -60.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.525 ' SG ' ' CG ' ' A' ' 31' ' ' GLU . 28.1 p -96.82 -15.96 21.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.7 25.4 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.252 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.525 ' CG ' ' SG ' ' A' ' 29' ' ' CYS . 47.2 mt-10 -93.26 122.61 35.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.361 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -79.43 125.75 29.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 142.6 -48.11 0.79 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.157 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.603 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 47.0 p-80 -116.55 171.07 8.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.576 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -104.14 165.5 11.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 108.002 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.52 ' CB ' ' O6 ' ' B' ' 309' ' ' ' G' . . . -58.64 -38.55 78.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -6.83 30.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -128.11 22.98 6.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.603 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 22.7 t -70.93 132.45 86.71 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 108.245 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD3' ' NE2' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.07 0.72 8.59 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.524 1.802 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.435 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 1.3 mttt -92.89 -22.3 19.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -47.63 104.98 0.44 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 163.99 34.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 179.48 80.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 110.34 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.3 -176.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.88 0.51 Allowed 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.949 0.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 178.48 152.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.21 88.28 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 153.19 41.26 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.48 1.779 . . . . 0.0 111.064 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.418 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 1.7 ptt180 -177.51 63.85 0.19 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 50' ' ' ARG . 18.1 Cg_endo -75.0 156.99 43.04 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -174.68 109.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.6 t -162.88 137.86 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.347 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.56 111.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 tp -154.15 158.99 41.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . 0.49 ' C6 ' ' N7 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 116.864 8.071 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 277' ' ' ' G' . . . . . 0.49 ' N7 ' ' C6 ' ' B' ' 276' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 O4'-C4'-C3' 92.714 -9.133 . 0.612 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 278' ' ' ' C' . . . . . 0.44 ' C6 ' " H2'" ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 93.251 -8.749 . 0.486 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . 0.535 ' C6 ' ' N1 ' ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 O4'-C4'-C3' 92.692 -9.149 . 0.251 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.041 2 C1'-O4'-C4' 117.242 8.491 . 0.082 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 93.187 -8.795 . 0.208 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 282' ' ' AP7 . . . . . 0.507 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . 0.507 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.95 3 O4'-C4'-C3' 92.619 -9.201 . 0.316 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . 0.502 ' C2 ' ' C2 ' ' B' ' 298' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 116.954 8.172 . 0.164 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 285' ' ' ' A' . . . . . 0.532 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 C1'-O4'-C4' 117.205 8.45 . 0.382 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 93.131 -8.835 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 287' ' ' ' U' . . . . . 0.554 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 92.073 -9.591 . 0.533 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 288' ' ' ' U' . . . . . 0.649 ' C4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.053 1 O4'-C4'-C3' 91.227 -10.195 . 0.82 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 289' ' ' ' G' . . . . . 0.649 ' C6 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.963 3 C1'-O4'-C4' 117.061 8.29 . 0.038 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 290' ' ' ' A' . . . . . 0.42 " H2'" " O5'" ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 93.392 -8.649 . 0.052 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 291' ' ' ' G' . . . . . 0.648 ' C2 ' ' N1 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 117.231 8.479 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 292' ' ' ' A' . . . . . 0.648 ' N1 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.962 1 O4'-C4'-C3' 91.234 -10.19 . 0.01 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 293' ' ' ' A' . . . . . 0.518 " O5'" " C2'" ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.037 1 C1'-O4'-C4' 115.051 6.057 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 C1'-O4'-C4' 117.244 8.494 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 295' ' ' ' C' . . . . . 0.424 " H2'" ' C6 ' ' B' ' 296' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.862 2 O4'-C4'-C3' 94.029 -8.194 . 0.222 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 296' ' ' ' U' . . . . . 0.424 ' C6 ' " H2'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 93.358 -8.673 . 0.628 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 297' ' ' ' A' . . . . . 0.532 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 O4'-C4'-C3' 93.127 -8.838 . 0.53 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . 0.502 ' C2 ' ' C2 ' ' B' ' 284' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 O4'-C4'-C3' 93.623 -8.484 . 0.341 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 299' ' ' ' C' . . . . . 0.589 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.915 3 O4'-C4'-C3' 92.563 -9.241 . 0.552 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 300' ' ' ' U' . . . . . 0.604 " H2'" ' C6 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.626 2 C1'-O4'-C4' 117.296 8.551 . 0.287 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 301' ' ' ' C' . . . . . 0.768 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.026 3 O4'-C4'-C3' 92.526 -9.267 . 0.19 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 302' ' ' ' U' . . . . . 0.768 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 C1'-O4'-C4' 117.242 8.491 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 303' ' ' ' G' . . . . . 0.624 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.035 1 O4'-C4'-C3' 91.43 -10.05 . 0.229 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 304' ' ' ' U' . . . . . 0.657 " O2'" ' OP1' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 91.52 -9.986 OUTLIER-EPSILON 0.268 1L . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 305' ' ' ' A' . . . . . 0.657 ' OP1' " O2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 89.933 -11.119 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 306' ' ' ' U' . . . . . 0.49 " O2'" ' OP1' ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 92.47 -9.307 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' B' B ' 307' ' ' ' C' . . . . . 0.49 ' OP1' " O2'" ' B' ' 306' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 93.312 -8.706 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 308' ' ' ' U' . . . . . 0.483 ' C5 ' ' HG2' ' A' ' 18' ' ' ARG . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 O4'-C4'-C3' 92.511 -9.278 . 0.012 9a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 309' ' ' ' G' . . . . . 0.572 ' C6 ' ' HB2' ' A' ' 27' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 90.117 -10.988 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 310' ' ' ' G' . . . . . 0.484 " C5'" " H2'" ' B' ' 309' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 O4'-C4'-C3' 91.614 -9.918 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 311' ' ' ' C' . . . . . 0.453 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 O4'-C4'-C3' 93.114 -8.847 . 0.276 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 312' ' ' ' G' . . . . . 0.537 ' N1 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.153 7.281 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 313' ' ' ' G' . . . . . 0.537 ' C5 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 C1'-O4'-C4' 116.966 8.185 . 0.17 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 314' ' ' ' A' . . . . . 0.655 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.679 7.866 . 0.655 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 315' ' ' ' C' . . . . . 0.655 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.296 -13.084 2 C1'-O4'-C4' 119.694 11.215 . 0.015 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.02 1 C1'-O4'-C4' 115.837 6.93 . 0.077 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 317' ' ' ' C' . . . . . 0.64 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 C1'-O4'-C4' 117.261 8.512 . 0.389 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 318' ' ' ' G' . . . . . 0.811 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 117.229 8.477 . 0.451 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.494 3.445 2 O4'-C4'-C3' 92.45 -9.321 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 320' ' ' ' G' . . . . . 0.811 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 C1'-O4'-C4' 114.799 5.777 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 321' ' ' ' G' . . . . . 0.693 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.082 3 O4'-C4'-C3' 92.372 -9.377 . 0.114 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 322' ' ' ' U' . . . . . 0.693 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.874 3 O4'-C4'-C3' 91.318 -10.13 . 0.22 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 323' ' ' ' G' . . . . . 0.522 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.927 3 O4'-C4'-C3' 93.559 -8.529 . 0.347 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 324' ' ' ' G' . . . . . 0.704 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.001 0 C3'-C2'-O2' 102.719 -3.648 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 325' ' ' ' A' . . . . . 0.704 ' C6 ' ' C6 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.712 2 C1'-O4'-C4' 116.742 7.935 . 0.109 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 326' ' ' ' A' . . . . . 0.637 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.864 2 C1'-O4'-C4' 116.556 7.729 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 116.733 7.925 . 0.578 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 328' ' ' ' U' . . . . . 0.607 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 117.184 8.426 . 0.751 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 329' ' ' ' G' . . . . . 0.607 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.857 3 O4'-C4'-C3' 91.386 -10.081 . 0.163 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 1 O4'-C4'-C3' 90.899 -10.43 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 331' ' ' ' G' . . . . . 0.656 ' C6 ' ' N6 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.223 8.47 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 332' ' ' ' A' . . . . . 0.656 ' N6 ' ' C6 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.014 2 C1'-O4'-C4' 116.844 8.049 . 0.101 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 333' ' ' ' A' . . . . . 0.5 ' N6 ' ' N1 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 116.72 7.911 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 334' ' ' ' G' . . . . . 0.43 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.02 2 C1'-O4'-C4' 116.542 7.713 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 335' ' ' ' U' . . . . . 0.659 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 117.373 8.637 . 0.629 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 336' ' ' ' U' . . . . . 0.659 ' C4 ' ' N3 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.492 2 C1'-O4'-C4' 117.3 8.556 . 0.474 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 337' ' ' ' C' . . . . . 0.684 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 C1'-O4'-C4' 116.795 7.994 . 0.063 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 338' ' ' ' G' . . . . . 0.684 ' N7 ' ' C4 ' ' B' ' 337' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 O4'-C4'-C3' 90.391 -10.792 . 0.344 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 339' ' ' ' G' . . . . . 0.612 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 100.523 -10.085 OUTLIER-EPSILON 0.01 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 340' ' ' ' A' . . . . . 0.549 ' N7 ' ' N3 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.479 2.148 2 O4'-C4'-C3' 93.007 -8.924 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 341' ' ' ' A' . . . . . 0.5 ' N6 ' " H1'" ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.283 2 C1'-O4'-C4' 117.457 8.73 . 0.66 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 3 C1'-O4'-C4' 116.897 8.107 . 0.162 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 343' ' ' ' A' . . . . . 0.654 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.021 2 C1'-O4'-C4' 117.188 8.431 . 0.593 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 344' ' ' ' C' . . . . . 0.654 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 O4'-C4'-C3' 94.064 -8.168 . 0.578 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 345' ' ' ' C' . . . . . 0.696 ' C4 ' ' C5 ' ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 O4'-C4'-C3' 93.909 -8.279 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 346' ' ' ' C' . . . . . 0.775 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.956 1 O4'-C4'-C3' 90.441 -10.757 . 0.875 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 347' ' ' ' G' . . . . . 0.581 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 O4'-C4'-C3' 93.486 -8.581 . 0.304 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 348' ' ' ' G' . . . . . 0.64 ' N2 ' ' C2 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 91.561 -9.957 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 349' ' ' ' C' . . . . . 0.476 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 O4'-C4'-C3' 91.107 -10.281 . 0.082 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 350' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 3 O4'-C4'-C3' 91.418 -10.058 . 0.456 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 C1'-O4'-C4' 117.202 8.447 . 0.403 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 O4'-C4'-C3' 92.887 -9.009 . 0.603 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 353' ' ' ' A' . . . . . 0.401 " H2'" ' C8 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 117.034 8.261 . 0.428 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 354' ' ' ' A' . . . . . 0.498 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 94.071 -8.164 . 0.845 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 355' ' ' ' C' . . . . . 0.537 " H2'" ' C6 ' ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 93.023 -8.912 . 0.587 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 356' ' ' ' C' . . . . . 0.537 ' C6 ' " H2'" ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 O4'-C4'-C3' 93.626 -8.482 . 0.132 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 357' ' ' ' C' . . . . . 0.492 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 116.16 7.289 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 358' ' ' ' U' . . . . . 0.447 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 93.797 -8.359 . 0.293 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 359' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.055 2 O4'-C4'-C3' 92.833 -9.048 . 0.398 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 360' ' ' ' G' . . . . . 0.556 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 O4'-C4'-C3' 91.546 -9.967 . 0.255 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 361' ' ' ' G' . . . . . 0.559 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 116.873 8.081 . 0.317 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 362' ' ' ' A' . . . . . 0.559 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 117.209 8.455 . 0.422 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 363' ' ' ' G' . . . . . 0.403 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 117.272 8.525 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 1 C1'-O4'-C4' 104.864 -5.262 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 0 C3'-C2'-O2' 102.711 -3.651 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 0 C3'-C2'-O2' 102.743 -3.64 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 C1'-O4'-C4' 116.501 7.667 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 368' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 O4'-C4'-C3' 93.949 -8.251 . 0.53 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 369' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 117.077 8.308 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 370' ' ' ' C' . . . . . 0.436 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 O4'-C4'-C3' 92.862 -9.027 . 0.3 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 371' ' ' ' A' . . . . . 0.436 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.864 8.072 . 0.377 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 116.969 8.188 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 373' ' ' ' G' . . . . . 0.564 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 C1'-O4'-C4' 116.868 8.075 . 0.013 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 374' ' ' ' G' . . . . . 0.564 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 O4'-C4'-C3' 94.177 -8.088 . 0.032 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 3 O4'-C4'-C3' 93.161 -8.813 . 0.065 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 376' ' ' ' U' . . . . . 0.402 " O3'" ' OP2' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 O4'-C4'-C3' 93.834 -8.333 . 0.532 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.4 ' O ' ' OG1' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 1' ' ' ALA . 19.4 m -160.0 125.5 4.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.358 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -174.7 137.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.6 1.187 . . . . 0.0 109.259 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.435 ' O ' ' CB ' ' A' ' 5' ' ' SER . 11.0 p -170.1 121.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER 163.86 152.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -127.31 -176.73 14.57 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.45 1.094 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 179.35 154.22 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 0.0 110.322 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.02 148.98 1.8 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.08 98.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.262 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 t70 177.23 144.81 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 12' ' ' GLN . 1.8 tpm_? -176.87 -69.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.235 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' ARG . 6.5 mt-30 54.41 168.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.082 . . . . 0.0 110.321 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 14' ' ' GLY . . . 156.85 151.97 6.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 13' ' ' GLY . . . 55.87 162.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -157.22 -61.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.594 0.82 . . . . 0.0 110.237 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.45 80.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.21 160.42 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.991 ' O ' ' N ' ' A' ' 20' ' ' GLN . 2.7 mtt180 -137.27 72.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -45.23 60.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.991 ' N ' ' O ' ' A' ' 18' ' ' ARG . 2.9 tt0 79.87 51.85 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.515 ' CB ' ' HB3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -87.94 114.17 24.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.496 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 20.9 t0 -80.83 150.53 29.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.448 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 0.2 OUTLIER -67.37 -7.04 21.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 110.385 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.6 25.22 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.372 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -113.66 179.64 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 46.3 t -101.57 134.98 43.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 108.341 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.563 ' HB2' ' C6 ' ' B' ' 309' ' ' ' G' . . . -95.34 23.24 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.476 ' O ' ' C2 ' ' B' ' 306' ' ' ' U' . 5.5 t80 -124.35 -63.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.718 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.1 p -96.29 -19.52 19.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 108.325 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.565 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER 93.64 -19.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.718 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.7 OUTLIER -46.7 142.2 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.61 135.86 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.26 -47.63 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 33.1 p-80 -116.52 164.44 14.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.556 0.798 . . . . 0.0 109.633 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -101.06 166.15 10.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.589 1.181 . . . . 0.0 107.98 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -59.47 -35.35 73.92 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -68.66 -7.52 34.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.29 23.85 4.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.427 1.079 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.568 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 23.1 t -72.67 133.22 82.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 108.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.03 1.05 8.19 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -92.37 -20.38 21.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.49 103.76 0.36 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 138.54 23.27 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -139.56 145.05 38.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.52 -178.08 15.31 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.54 1.15 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.17 60.21 Favored 'Cis proline' 0 C--N 1.359 1.085 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.028 -0.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -152.06 105.03 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -149.68 122.71 1.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.19 33.78 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.562 1.822 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -149.11 117.18 3.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.402 1.064 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 179.92 5.63 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -110.18 -61.89 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.8 m 59.08 156.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.7 p -147.21 164.38 33.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.964 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 tp -142.47 153.12 43.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . 0.538 ' C6 ' ' C5 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 117.229 8.477 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 277' ' ' ' G' . . . . . 0.538 ' C5 ' ' C6 ' ' B' ' 276' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.045 2 O4'-C4'-C3' 92.66 -9.171 . 0.818 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 278' ' ' ' C' . . . . . 0.45 ' C6 ' " H2'" ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 117.073 8.303 . 0.604 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . 0.478 ' C6 ' ' N1 ' ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 O4'-C4'-C3' 92.176 -9.517 . 0.67 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 C1'-O4'-C4' 117.273 8.525 . 0.047 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 281' ' ' ' U' . . . . . 0.448 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -2.012 2 O4'-C4'-C3' 93.298 -8.715 . 0.857 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 282' ' ' AP7 . . . . . 0.504 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . 0.504 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 O4'-C4'-C3' 93.046 -8.896 . 0.372 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.964 8.182 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 285' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.856 2 C1'-O4'-C4' 117.259 8.51 . 0.219 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 93.856 -8.317 . 0.45 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 287' ' ' ' U' . . . . . 0.487 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.858 2 O4'-C4'-C3' 93.968 -8.237 . 0.655 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 288' ' ' ' U' . . . . . 0.553 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.115 -8.847 . 0.497 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 289' ' ' ' G' . . . . . 0.553 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 92.272 -9.449 . 0.531 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 290' ' ' ' A' . . . . . 0.641 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 116.033 7.148 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 291' ' ' ' G' . . . . . 0.655 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 117.181 8.424 . 0.048 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 292' ' ' ' A' . . . . . 0.655 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 O4'-C4'-C3' 92.761 -9.099 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 293' ' ' ' A' . . . . . 0.6 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 117.23 8.477 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 117.004 8.226 . 0.293 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 295' ' ' ' C' . . . . . 0.419 ' C4 ' ' C4 ' ' B' ' 296' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 O4'-C4'-C3' 92.71 -9.136 . 0.366 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 296' ' ' ' U' . . . . . 0.443 " H2'" ' C8 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 O4'-C4'-C3' 91.731 -9.835 . 0.57 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 297' ' ' ' A' . . . . . 0.443 ' C8 ' " H2'" ' B' ' 296' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.949 3 O4'-C4'-C3' 93.981 -8.228 . 0.567 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 3 O4'-C4'-C3' 93.119 -8.844 . 0.467 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 299' ' ' ' C' . . . . . 0.535 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.911 3 O4'-C4'-C3' 92.051 -9.606 . 0.679 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 300' ' ' ' U' . . . . . 0.616 ' C4 ' ' N4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.792 2 C1'-O4'-C4' 117.416 8.685 . 0.609 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 301' ' ' ' C' . . . . . 0.808 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.989 3 O4'-C4'-C3' 92.545 -9.254 . 0.241 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 302' ' ' ' U' . . . . . 0.808 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.862 2 O4'-C4'-C3' 93.802 -8.356 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 303' ' ' ' G' . . . . . 0.583 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 O4'-C4'-C3' 90.675 -10.589 . 0.411 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 304' ' ' ' U' . . . . . 0.591 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 93.663 -8.455 . 0.254 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 305' ' ' ' A' . . . . . 0.591 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 C1'-O4'-C4' 116.965 8.184 . 0.082 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 306' ' ' ' U' . . . . . 0.476 ' C2 ' ' O ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C3'--C2' 1.504 -1.866 2 O4'-C4'-C3' 92.131 -9.549 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 307' ' ' ' C' . . . . . 0.413 " H1'" ' CB ' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.502 -2.056 2 C1'-O4'-C4' 117.096 8.329 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 308' ' ' ' U' . . . . . 0.466 ' C5 ' ' HB1' ' A' ' 27' ' ' ALA . . . . . . . . 0 C3'--C2' 1.505 -1.845 0 C3'-C2'-O2' 102.705 -3.653 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 309' ' ' ' G' . . . . . 0.563 ' C6 ' ' HB2' ' A' ' 27' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 116.938 8.154 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 310' ' ' ' G' . . . . . 0.4 ' OP2' " O3'" ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 91.792 -9.791 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 93.0 -8.929 . 0.197 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 312' ' ' ' G' . . . . . 0.493 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.555 7.728 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 313' ' ' ' G' . . . . . 0.527 " H2'" ' C8 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 117.073 8.304 . 0.256 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 314' ' ' ' A' . . . . . 0.65 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 117.137 8.375 . 0.724 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 315' ' ' ' C' . . . . . 0.65 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.3 -12.721 2 C1'-O4'-C4' 119.493 10.992 . 0.01 1b . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 316' ' ' ' C' . . . . . 0.575 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 O4'-C4'-C3' 93.167 -8.81 . 0.06 4g . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 317' ' ' ' C' . . . . . 0.645 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.047 2 C1'-O4'-C4' 117.235 8.483 . 0.505 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 318' ' ' ' G' . . . . . 0.805 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 C1'-O4'-C4' 117.291 8.546 . 0.683 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.494 3.396 2 O4'-C4'-C3' 92.184 -9.512 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 320' ' ' ' G' . . . . . 0.805 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.945 3 C1'-O4'-C4' 114.972 5.969 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 321' ' ' ' G' . . . . . 0.601 ' C2 ' ' O2 ' ' B' ' 345' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.049 3 O4'-C4'-C3' 92.181 -9.514 . 0.097 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 322' ' ' ' U' . . . . . 0.527 ' C4 ' ' C5 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.984 3 O4'-C4'-C3' 92.595 -9.218 . 0.146 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 323' ' ' ' G' . . . . . 0.588 ' C6 ' ' C2 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.484 2.592 2 C1'-O4'-C4' 116.383 7.536 . 0.101 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 324' ' ' ' G' . . . . . 0.678 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 116.529 7.699 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 325' ' ' ' A' . . . . . 0.678 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 117.29 8.545 . 0.659 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 326' ' ' ' A' . . . . . 0.634 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 C1'-O4'-C4' 116.699 7.888 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.014 2 C1'-O4'-C4' 117.073 8.303 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 328' ' ' ' U' . . . . . 0.591 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.037 2 C1'-O4'-C4' 117.224 8.471 . 0.9 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 329' ' ' ' G' . . . . . 0.591 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.091 3 O4'-C4'-C3' 90.529 -10.694 . 0.674 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 330' ' ' ' U' . . . . . 0.407 ' C5 ' ' C5 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.198 2 C1'-O4'-C4' 117.374 8.637 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 331' ' ' ' G' . . . . . 0.646 ' C6 ' ' N6 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.972 3 C1'-O4'-C4' 117.262 8.513 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 332' ' ' ' A' . . . . . 0.646 ' N6 ' ' C6 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 116.902 8.114 . 0.116 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 333' ' ' ' A' . . . . . 0.504 ' N6 ' ' N1 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 117.122 8.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 334' ' ' ' G' . . . . . 0.483 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.995 2 C1'-O4'-C4' 116.775 7.972 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 335' ' ' ' U' . . . . . 0.608 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 C1'-O4'-C4' 117.234 8.482 . 0.193 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 336' ' ' ' U' . . . . . 0.608 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.97 3 O4'-C4'-C3' 93.633 -8.476 . 0.462 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 337' ' ' ' C' . . . . . 0.625 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 O4'-C4'-C3' 90.985 -10.368 . 0.367 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 338' ' ' ' G' . . . . . 0.822 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.877 1 O4'-C4'-C3' 90.368 -10.809 . 0.693 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 339' ' ' ' G' . . . . . 0.822 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 99.538 -11.18 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' B' B ' 340' ' ' ' A' . . . . . 0.797 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.949 3 O4'-C4'-C3' 92.127 -9.552 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 341' ' ' ' A' . . . . . 0.797 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 117.244 8.493 . 0.529 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 C1'-O4'-C4' 116.751 7.946 . 0.337 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 343' ' ' ' A' . . . . . 0.588 ' C2 ' ' C6 ' ' B' ' 323' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 117.041 8.268 . 0.794 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 344' ' ' ' C' . . . . . 0.527 ' C4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 O4'-C4'-C3' 92.218 -9.487 . 0.424 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 345' ' ' ' C' . . . . . 0.601 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 92.834 -9.047 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 346' ' ' ' C' . . . . . 0.667 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 O4'-C4'-C3' 91.082 -10.299 . 0.583 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 347' ' ' ' G' . . . . . 0.645 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 93.652 -8.463 . 0.313 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 348' ' ' ' G' . . . . . 0.658 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 O4'-C4'-C3' 91.993 -9.648 . 0.141 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 349' ' ' ' C' . . . . . 0.658 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 90.909 -10.422 . 0.016 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 350' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 3 O4'-C4'-C3' 91.632 -9.906 . 0.483 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 117.152 8.392 . 0.413 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 93.045 -8.896 . 0.528 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 353' ' ' ' A' . . . . . 0.432 " H2'" ' C8 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 O4'-C4'-C3' 94.171 -8.092 . 0.393 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 354' ' ' ' A' . . . . . 0.476 ' C6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.082 3 O4'-C4'-C3' 93.214 -8.776 . 0.7 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 355' ' ' ' C' . . . . . 0.476 ' N4 ' ' C6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.484 -8.583 . 0.689 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 356' ' ' ' C' . . . . . 0.533 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 94.24 -8.043 . 0.183 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 357' ' ' ' C' . . . . . 0.533 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.807 2 C1'-O4'-C4' 116.251 7.39 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 358' ' ' ' U' . . . . . 0.444 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 93.188 -8.794 . 0.348 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 359' ' ' ' G' . . . . . 0.568 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 O4'-C4'-C3' 93.844 -8.326 . 0.232 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 360' ' ' ' G' . . . . . 0.569 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.847 2 O4'-C4'-C3' 93.841 -8.328 . 0.199 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 361' ' ' ' G' . . . . . 0.569 ' C8 ' " H2'" ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 C1'-O4'-C4' 117.088 8.32 . 0.36 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 362' ' ' ' A' . . . . . 0.569 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 117.187 8.43 . 0.448 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 363' ' ' ' G' . . . . . 0.404 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 117.211 8.457 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.855 2 O4'-C4'-C3' 91.877 -9.731 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 1 C1'-O4'-C4' 104.72 -5.422 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 C1'-O4'-C4' 116.313 7.459 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 C1'-O4'-C4' 117.1 8.333 . 0.042 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 368' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 O4'-C4'-C3' 93.665 -8.454 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 369' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 O4'-C4'-C3' 93.969 -8.236 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 370' ' ' ' C' . . . . . 0.554 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 O4'-C4'-C3' 92.79 -9.079 . 0.436 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 371' ' ' ' A' . . . . . 0.554 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.793 7.992 . 0.25 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 117.184 8.427 . 0.624 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 373' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.956 8.173 . 0.134 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 374' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.859 3 O4'-C4'-C3' 94.21 -8.064 . 0.603 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 92.469 -9.308 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 376' ' ' ' U' . . . . . 0.4 " O3'" ' OP2' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.803 2 O4'-C4'-C3' 92.708 -9.137 . 0.71 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.6 m -146.51 139.54 25.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.449 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m -138.99 178.28 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.97 147.43 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -179.71 144.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.955 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.99 135.37 5.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.098 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -142.49 179.08 7.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 110.283 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.0 156.23 21.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? 177.25 155.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.237 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.47 128.4 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.17 125.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -176.2 153.03 1.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.0 122.47 1.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.38 134.15 2.51 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -137.14 162.95 32.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -129.08 120.36 25.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.448 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -167.84 138.36 2.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.505 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -84.87 22.7 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -49.34 -47.6 47.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.973 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.35 35.27 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -65.01 96.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.541 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.6 OUTLIER -80.06 146.02 32.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 0.9 OUTLIER -64.25 -7.9 10.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.96 18.48 10.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.492 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -113.8 174.2 6.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 49.2 t -101.02 129.14 46.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 108.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.648 ' HB1' ' C6 ' ' B' ' 309' ' ' ' G' . . . -91.16 30.87 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.624 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 14.3 t80 -129.76 -58.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.661 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.4 p -103.91 -12.73 16.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 52.3 mmtt 79.22 21.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.661 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -73.66 172.39 11.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.66 116.2 20.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.6 -54.02 0.77 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.481 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 17.4 p-80 -102.04 157.95 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.561 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 3.6 m0 -98.89 160.94 13.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 108.047 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.493 ' CB ' " H1'" ' B' ' 307' ' ' ' C' . . . -58.64 -32.89 69.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.463 ' CD ' " H5'" ' B' ' 376' ' ' ' U' . 13.3 mmtt -64.91 -9.84 24.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.69 32.69 2.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.481 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 34.4 t -73.41 133.99 80.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 108.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.5 Cg_endo -74.89 2.21 6.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.624 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -83.83 -28.12 28.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' NZ ' ' N3 ' ' B' ' 307' ' ' ' C' . 1.2 mttt -43.93 102.3 0.28 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -74.98 172.36 16.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.544 1.812 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 179.56 60.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.424 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . 53.37 169.75 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.424 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -74.98 -169.34 7.26 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.995 0.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.05 116.91 26.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.79 106.7 0.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.87 15.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.5 99.89 1.71 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 173.56 14.31 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -139.27 164.93 28.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.418 HG21 ' N ' ' A' ' 54' ' ' SER . 43.0 m -100.25 149.54 23.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.418 ' N ' HG21 ' A' ' 53' ' ' THR . 2.8 t -142.64 169.43 17.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.927 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.1 tp -92.99 -66.46 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 tp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.878 8.087 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 277' ' ' ' G' . . . . . 0.504 " H2'" ' C6 ' ' B' ' 278' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 93.03 -8.907 . 0.682 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 278' ' ' ' C' . . . . . 0.504 ' C6 ' " H2'" ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 117.063 8.293 . 0.36 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 93.697 -8.431 . 0.601 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.033 2 C1'-O4'-C4' 117.238 8.486 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 281' ' ' ' U' . . . . . 0.45 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 O4'-C4'-C3' 93.375 -8.66 . 0.607 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 282' ' ' AP7 . . . . . 0.546 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . 0.546 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 C1'-O4'-C4' 117.133 8.369 . 0.207 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . 0.493 ' C2 ' ' N2 ' ' B' ' 298' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.844 2 C1'-O4'-C4' 117.239 8.487 . 0.411 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 285' ' ' ' A' . . . . . 0.718 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 117.226 8.474 . 0.357 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 286' ' ' ' G' . . . . . 0.425 ' C5 ' ' C6 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 92.633 -9.191 . 0.939 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 287' ' ' ' U' . . . . . 0.586 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 O4'-C4'-C3' 92.89 -9.007 . 0.587 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 288' ' ' ' U' . . . . . 0.587 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 O4'-C4'-C3' 92.296 -9.431 . 0.592 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 289' ' ' ' G' . . . . . 0.587 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 O4'-C4'-C3' 92.261 -9.456 . 0.583 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 290' ' ' ' A' . . . . . 0.641 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 C1'-O4'-C4' 116.058 7.175 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 291' ' ' ' G' . . . . . 0.705 ' C5 ' ' C6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.826 8.029 . 0.055 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 292' ' ' ' A' . . . . . 0.705 ' C6 ' ' C5 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 117.145 8.383 . 0.257 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 293' ' ' ' A' . . . . . 0.616 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.037 2 C1'-O4'-C4' 117.177 8.419 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.014 2 C1'-O4'-C4' 117.29 8.545 . 0.809 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 295' ' ' ' C' . . . . . 0.451 ' C4 ' ' C4 ' ' B' ' 296' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 93.5 -8.571 . 0.181 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 296' ' ' ' U' . . . . . 0.451 ' C4 ' ' C4 ' ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.036 2 O4'-C4'-C3' 91.286 -10.153 . 0.535 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 297' ' ' ' A' . . . . . 0.718 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.023 2 O4'-C4'-C3' 92.876 -9.017 . 0.655 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . 0.493 ' N2 ' ' C2 ' ' B' ' 284' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.906 3 O4'-C4'-C3' 92.534 -9.262 . 0.308 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 299' ' ' ' C' . . . . . 0.562 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.001 3 O4'-C4'-C3' 92.089 -9.579 . 0.367 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 300' ' ' ' U' . . . . . 0.6 " H2'" ' C6 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.778 2 C1'-O4'-C4' 117.613 8.903 . 0.651 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 301' ' ' ' C' . . . . . 0.798 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.009 3 O4'-C4'-C3' 91.483 -10.012 . 0.162 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 302' ' ' ' U' . . . . . 0.798 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 93.86 -8.314 . 0.048 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 303' ' ' ' G' . . . . . 0.58 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 O4'-C4'-C3' 91.101 -10.285 . 0.675 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 304' ' ' ' U' . . . . . 0.58 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 O4'-C4'-C3' 93.414 -8.633 . 0.233 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 305' ' ' ' A' . . . . . 0.58 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 116.914 8.127 . 0.018 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 306' ' ' ' U' . . . . . 0.544 " O2'" ' OP1' ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.939 1 O4'-C4'-C3' 91.804 -9.783 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 7a' 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' B' B ' 307' ' ' ' C' . . . . . 0.544 ' OP1' " O2'" ' B' ' 306' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.155 8.394 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 308' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 1 O4'-C4'-C3' 90.275 -10.875 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 309' ' ' ' G' . . . . . 0.648 ' C6 ' ' HB1' ' A' ' 27' ' ' ALA . . . . . . . . 0 C3'--C2' 1.505 -1.854 1 O4'-C4'-C3' 91.126 -10.267 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 310' ' ' ' G' . . . . . 0.595 ' O6 ' ' C4 ' ' B' ' 376' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.359 0 C3'-C2'-O2' 102.711 -3.651 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 311' ' ' ' C' . . . . . 0.4 ' P ' ' OP1' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 O4'-C4'-C3' 93.611 -8.492 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 312' ' ' ' G' . . . . . 0.66 ' C6 ' ' C6 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.384 7.538 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 313' ' ' ' G' . . . . . 0.66 ' C6 ' ' C6 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 117.184 8.427 . 0.1 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 314' ' ' ' A' . . . . . 0.615 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.801 8.002 . 0.739 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 315' ' ' ' C' . . . . . 0.615 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.297 -13.031 2 C1'-O4'-C4' 119.608 11.12 . 0.021 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 1 C1'-O4'-C4' 115.718 6.798 . 0.182 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 317' ' ' ' C' . . . . . 0.653 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 117.004 8.227 . 0.367 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 318' ' ' ' G' . . . . . 0.805 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 117.163 8.403 . 0.579 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 92.12 -9.557 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 320' ' ' ' G' . . . . . 0.805 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.9 3 C1'-O4'-C4' 115.299 6.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 321' ' ' ' G' . . . . . 0.685 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.996 3 O4'-C4'-C3' 92.243 -9.469 . 0.125 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 322' ' ' ' U' . . . . . 0.685 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.02 3 O4'-C4'-C3' 91.033 -10.334 . 0.421 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 323' ' ' ' G' . . . . . 0.549 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.55 7.722 . 0.356 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 324' ' ' ' G' . . . . . 0.736 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.919 0 C3'-C2'-O2' 102.683 -3.661 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 325' ' ' ' A' . . . . . 0.736 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.976 2 C1'-O4'-C4' 117.442 8.713 . 0.091 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 326' ' ' ' A' . . . . . 0.648 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.478 2.086 2 C1'-O4'-C4' 116.504 7.671 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.863 8.07 . 0.587 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 328' ' ' ' U' . . . . . 0.625 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 O4'-C4'-C3' 93.866 -8.31 . 0.855 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 329' ' ' ' G' . . . . . 0.625 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 91.046 -10.325 . 0.548 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 1 O4'-C4'-C3' 91.095 -10.289 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 331' ' ' ' G' . . . . . 0.609 ' OP2' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.952 3 O4'-C4'-C3' 92.412 -9.349 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 332' ' ' ' A' . . . . . 0.433 ' N9 ' " H2'" ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 94.033 -8.191 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 333' ' ' ' A' . . . . . 0.439 ' N6 ' ' N1 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.787 7.985 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 334' ' ' ' G' . . . . . 0.419 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 116.808 8.008 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 335' ' ' ' U' . . . . . 0.611 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 117.229 8.477 . 0.543 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 336' ' ' ' U' . . . . . 0.611 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.941 3 O4'-C4'-C3' 94.01 -8.207 . 0.496 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 337' ' ' ' C' . . . . . 0.625 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 90.975 -10.375 . 0.359 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 338' ' ' ' G' . . . . . 0.827 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 90.38 -10.8 . 0.413 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 339' ' ' ' G' . . . . . 0.827 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 99.303 -11.442 OUTLIER-EPSILON 0.01 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 340' ' ' ' A' . . . . . 0.796 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.48 2.234 2 O4'-C4'-C3' 92.489 -9.293 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 341' ' ' ' A' . . . . . 0.796 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.055 2 C1'-O4'-C4' 117.23 8.478 . 0.229 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.637 7.819 . 0.655 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 343' ' ' ' A' . . . . . 0.619 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 116.888 8.097 . 0.76 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 344' ' ' ' C' . . . . . 0.619 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 O4'-C4'-C3' 93.692 -8.434 . 0.551 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 345' ' ' ' C' . . . . . 0.604 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.057 2 O4'-C4'-C3' 92.225 -9.482 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 346' ' ' ' C' . . . . . 0.724 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 1 O4'-C4'-C3' 91.055 -10.318 . 0.14 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 347' ' ' ' G' . . . . . 0.728 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 94.244 -8.04 . 0.193 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 348' ' ' ' G' . . . . . 0.728 ' C5 ' ' C6 ' ' B' ' 347' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 O4'-C4'-C3' 91.862 -9.741 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 349' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 3 O4'-C4'-C3' 91.745 -9.825 . 0.058 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 350' ' ' ' C' . . . . . 0.421 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.967 3 O4'-C4'-C3' 91.922 -9.699 . 0.462 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 117.165 8.406 . 0.434 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 3 O4'-C4'-C3' 91.846 -9.753 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 353' ' ' ' A' . . . . . 0.431 " H2'" ' C8 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.993 3 C1'-O4'-C4' 117.17 8.411 . 0.298 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 354' ' ' ' A' . . . . . 0.5 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.848 2 C1'-O4'-C4' 117.02 8.244 . 0.617 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 355' ' ' ' C' . . . . . 0.5 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 93.183 -8.798 . 0.809 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 356' ' ' ' C' . . . . . 0.523 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 92.926 -8.981 . 0.097 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 357' ' ' ' C' . . . . . 0.523 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 C1'-O4'-C4' 116.327 7.475 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 358' ' ' ' U' . . . . . 0.448 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 O4'-C4'-C3' 94.027 -8.195 . 0.374 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 359' ' ' ' G' . . . . . 0.539 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.053 2 O4'-C4'-C3' 92.943 -8.969 . 0.458 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 360' ' ' ' G' . . . . . 0.554 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.898 8.108 . 0.132 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 361' ' ' ' G' . . . . . 0.563 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 O4'-C4'-C3' 93.604 -8.497 . 0.342 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 362' ' ' ' A' . . . . . 0.563 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.873 2 C1'-O4'-C4' 117.203 8.448 . 0.513 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 363' ' ' ' G' . . . . . 0.402 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 117.196 8.44 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 364' ' ' ' A' . . . . . 0.419 ' N3 ' " H2'" ' B' ' 364' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.87 3 O4'-C4'-C3' 91.837 -9.759 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 1 C1'-O4'-C4' 113.755 4.616 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 117.19 8.433 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.022 2 C1'-O4'-C4' 116.935 8.15 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 368' ' ' ' C' . . . . . 0.461 " H2'" ' C6 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 O4'-C4'-C3' 93.042 -8.899 . 0.417 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 369' ' ' ' C' . . . . . 0.461 ' C6 ' " H2'" ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 116.957 8.174 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 370' ' ' ' C' . . . . . 0.451 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.069 2 O4'-C4'-C3' 93.286 -8.724 . 0.073 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 371' ' ' ' A' . . . . . 0.451 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 116.91 8.122 . 0.461 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 117.259 8.509 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 373' ' ' ' G' . . . . . 0.568 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 C1'-O4'-C4' 116.937 8.153 . 0.046 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 374' ' ' ' G' . . . . . 0.568 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 117.066 8.296 . 0.196 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 375' ' ' ' U' . . . . . 0.426 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.002 3 O4'-C4'-C3' 93.516 -8.56 . 0.133 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 376' ' ' ' U' . . . . . 0.595 ' C4 ' ' O6 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 117.008 8.231 . 0.231 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 51.4 m -118.85 153.33 34.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.0 p -85.89 161.03 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.243 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -117.64 149.25 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.96 167.9 20.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.43 -153.5 18.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.561 1.163 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -171.71 145.18 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 0.754 . . . . 0.0 110.28 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.73 163.31 30.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -155.93 159.36 39.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -123.85 -175.26 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.222 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.91 112.56 3.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.88 -160.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.64 138.09 6.34 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.13 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.15 -156.35 14.23 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 61.34 154.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 0.805 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -171.14 144.69 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.37 126.16 7.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 1.06 ' O ' ' N ' ' A' ' 20' ' ' GLN . 8.5 mtt85 -86.22 67.93 10.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.572 ' C ' ' O ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -25.21 65.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.454 1.096 . . . . 0.0 110.015 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 1.06 ' N ' ' O ' ' A' ' 18' ' ' ARG . 5.2 pm0 48.84 44.65 22.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.534 HD21 ' C2 ' ' B' ' 309' ' ' ' G' . 0.7 OUTLIER -47.15 110.42 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.487 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.4 OUTLIER -76.25 150.82 36.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.604 1.19 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 16.0 mmt180 -69.43 -3.93 16.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' OE1' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -127.66 23.37 6.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.434 ' NE2' ' CG ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -111.7 174.89 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 43.1 t -109.76 135.44 50.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 108.261 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.48 32.15 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.605 ' CE2' ' OP2' ' B' ' 307' ' ' ' C' . 15.0 t80 -134.24 -58.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.994 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.0 p -101.58 -17.72 16.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 108.318 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 18.3 mmtt 79.16 25.98 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.669 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.5 mt-10 -84.55 177.56 8.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -127.91 128.48 45.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.09 -45.22 1.15 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.684 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 37.8 p-80 -114.21 164.78 13.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.598 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -101.16 169.05 9.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 108.023 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.469 ' CB ' ' O6 ' ' B' ' 309' ' ' ' G' . . . -58.35 -41.07 83.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -71.99 -1.93 16.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.24 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.19 16.15 7.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.684 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 22.1 t -68.11 132.51 91.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 108.233 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.0 0.46 8.88 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.536 1.808 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.513 ' HE2' ' C4 ' ' B' ' 306' ' ' ' U' . 1.4 mtpt -95.09 -20.22 19.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 121.43 64.08 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 69.25 5.59 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 136.39 39.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.76 -174.1 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 124.66 10.35 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.011 -2.495 . . . . 0.0 110.942 0.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.49 154.67 51.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.229 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.56 105.91 0.23 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 65.44 6.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 118.31 43.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 110.24 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 143.33 28.99 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.565 1.824 . . . . 0.0 110.986 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -113.5 146.72 39.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 t -167.32 159.55 12.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.376 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.18 156.37 42.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.98 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.5 tp -174.09 150.38 1.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.5 tp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.063 2 C1'-O4'-C4' 116.908 8.12 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 O4'-C4'-C3' 93.585 -8.511 . 0.412 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.094 2 O4'-C4'-C3' 93.18 -8.8 . 0.506 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 93.155 -8.818 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 117.12 8.355 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 281' ' ' ' U' . . . . . 0.454 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -2.039 2 O4'-C4'-C3' 93.376 -8.66 . 0.281 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 282' ' ' AP7 . . . . . 0.549 ' C2 ' ' O2 ' ' B' ' 300' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . 0.511 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 117.141 8.379 . 0.458 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 117.245 8.495 . 0.291 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 285' ' ' ' A' . . . . . 0.464 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 117.278 8.531 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 286' ' ' ' G' . . . . . 0.437 ' O6 ' ' N6 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 92.602 -9.213 . 0.373 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 287' ' ' ' U' . . . . . 0.495 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 O4'-C4'-C3' 92.944 -8.969 . 0.612 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 288' ' ' ' U' . . . . . 0.516 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 O4'-C4'-C3' 91.867 -9.738 . 0.422 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 289' ' ' ' G' . . . . . 0.516 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 O4'-C4'-C3' 91.658 -9.887 . 0.553 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 290' ' ' ' A' . . . . . 0.641 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 115.918 7.02 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 291' ' ' ' G' . . . . . 0.641 ' C2 ' ' N6 ' ' B' ' 290' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.871 2 C1'-O4'-C4' 117.152 8.391 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 292' ' ' ' A' . . . . . 0.641 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 92.539 -9.258 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 293' ' ' ' A' . . . . . 0.538 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 117.234 8.482 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 O4'-C4'-C3' 93.987 -8.224 . 0.063 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 295' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 92.683 -9.155 . 0.207 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 296' ' ' ' U' . . . . . 0.457 " H2'" ' C8 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 92.2 -9.5 . 0.565 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 297' ' ' ' A' . . . . . 0.464 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.913 3 O4'-C4'-C3' 93.433 -8.619 . 0.65 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . 0.403 " H2'" " O4'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 O4'-C4'-C3' 93.293 -8.719 . 0.66 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 299' ' ' ' C' . . . . . 0.59 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.054 3 O4'-C4'-C3' 92.064 -9.597 . 0.455 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 300' ' ' ' U' . . . . . 0.653 ' C4 ' ' N4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.466 2 C1'-O4'-C4' 117.311 8.568 . 0.513 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 301' ' ' ' C' . . . . . 0.837 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.057 3 O4'-C4'-C3' 93.034 -8.905 . 0.173 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 302' ' ' ' U' . . . . . 0.837 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.861 2 C1'-O4'-C4' 117.095 8.328 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 303' ' ' ' G' . . . . . 0.463 " O4'" " H2'" ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 O4'-C4'-C3' 92.766 -9.096 . 0.192 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 304' ' ' ' U' . . . . . 0.414 " C3'" H5'' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 O4'-C4'-C3' 91.814 -9.776 . 0.051 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 305' ' ' ' A' . . . . . 0.414 H5'' " C3'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.958 1 C1'-O4'-C4' 115.37 6.411 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 306' ' ' ' U' . . . . . 0.513 ' C4 ' ' HE2' ' A' ' 41' ' ' LYS . . . . . . . . 0 C3'--C2' 1.503 -1.973 1 O4'-C4'-C3' 91.845 -9.754 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 307' ' ' ' C' . . . . . 0.605 ' OP2' ' CE2' ' A' ' 28' ' ' TYR . . . . . . . . 0 C3'--C2' 1.503 -2.043 2 C1'-O4'-C4' 116.943 8.159 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 308' ' ' ' U' . . . . . 0.444 ' O4 ' ' NZ ' ' A' ' 30' ' ' LYS . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 92.374 -9.376 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 309' ' ' ' G' . . . . . 0.534 ' C2 ' HD21 ' A' ' 21' ' ' LEU . . . . . . . . 0 C3'--C2' 1.503 -2.025 1 O4'-C4'-C3' 90.954 -10.39 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 310' ' ' ' G' . . . . . 0.422 " H2'" ' C6 ' ' B' ' 311' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.862 2 O4'-C4'-C3' 92.174 -9.519 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 311' ' ' ' C' . . . . . 0.422 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 O4'-C4'-C3' 93.516 -8.56 . 0.331 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 312' ' ' ' G' . . . . . 0.687 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 116.631 7.812 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 313' ' ' ' G' . . . . . 0.692 ' N1 ' ' C2 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.959 2 C1'-O4'-C4' 117.297 8.552 . 0.232 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 314' ' ' ' A' . . . . . 0.692 ' C2 ' ' N1 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.848 2 C1'-O4'-C4' 116.649 7.832 . 0.094 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 315' ' ' ' C' . . . . . 0.675 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.303 -12.505 2 C1'-O4'-C4' 119.502 11.003 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' B' B ' 316' ' ' ' C' . . . . . 0.421 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 92.637 -9.188 . 0.308 0a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 317' ' ' ' C' . . . . . 0.488 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 93.178 -8.801 . 0.476 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 318' ' ' ' G' . . . . . 0.794 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 117.322 8.58 . 0.204 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.489 2.994 2 O4'-C4'-C3' 91.871 -9.735 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 320' ' ' ' G' . . . . . 0.794 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 3 C1'-O4'-C4' 115.001 6.001 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 321' ' ' ' G' . . . . . 0.567 ' C5 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.977 3 O4'-C4'-C3' 92.36 -9.386 . 0.083 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 322' ' ' ' U' . . . . . 0.466 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.976 3 O4'-C4'-C3' 91.499 -10.001 . 0.5 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 323' ' ' ' G' . . . . . 0.427 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 116.776 7.973 . 0.323 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 324' ' ' ' G' . . . . . 0.635 ' N1 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.998 0 C3'-C2'-O2' 102.686 -3.66 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 325' ' ' ' A' . . . . . 0.635 ' C6 ' ' N1 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.681 2 C1'-O4'-C4' 117.331 8.59 . 0.044 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 326' ' ' ' A' . . . . . 0.634 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.644 7.826 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.842 2 C1'-O4'-C4' 116.714 7.905 . 0.371 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 328' ' ' ' U' . . . . . 0.522 ' N3 ' ' C5 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.87 2 C1'-O4'-C4' 116.884 8.093 . 0.794 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 329' ' ' ' G' . . . . . 0.592 ' C5 ' ' OP2' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.045 3 O4'-C4'-C3' 91.014 -10.347 . 0.357 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 1 O4'-C4'-C3' 90.86 -10.457 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 331' ' ' ' G' . . . . . 0.638 ' C2 ' ' N1 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.843 3 C1'-O4'-C4' 117.154 8.394 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 332' ' ' ' A' . . . . . 0.638 ' N1 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.882 8.091 . 0.016 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 333' ' ' ' A' . . . . . 0.505 ' N6 ' ' N1 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 C1'-O4'-C4' 116.244 7.382 . 0.1 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 334' ' ' ' G' . . . . . 0.436 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 116.591 7.768 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 335' ' ' ' U' . . . . . 0.625 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.871 2 C1'-O4'-C4' 117.23 8.478 . 0.418 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 336' ' ' ' U' . . . . . 0.625 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.065 2 C1'-O4'-C4' 117.192 8.436 . 0.321 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 337' ' ' ' C' . . . . . 0.697 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.844 2 C1'-O4'-C4' 117.315 8.572 . 0.123 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 338' ' ' ' G' . . . . . 0.697 ' N7 ' ' C4 ' ' B' ' 337' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 O4'-C4'-C3' 90.378 -10.801 . 0.31 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 339' ' ' ' G' . . . . . 0.673 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 100.482 -10.131 OUTLIER-EPSILON 0.014 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 340' ' ' ' A' . . . . . 0.57 ' N7 ' ' N3 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.481 2.332 2 O4'-C4'-C3' 92.675 -9.161 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 341' ' ' ' A' . . . . . 0.495 ' C5 ' ' C6 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.334 2 C1'-O4'-C4' 117.449 8.721 . 0.407 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 C1'-O4'-C4' 116.068 7.187 . 0.032 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 343' ' ' ' A' . . . . . 0.507 ' N6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.047 2 C1'-O4'-C4' 117.222 8.468 . 0.692 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 344' ' ' ' C' . . . . . 0.507 ' N4 ' ' N6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 O4'-C4'-C3' 92.834 -9.047 . 0.455 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 345' ' ' ' C' . . . . . 0.65 ' C4 ' ' C5 ' ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 117.183 8.426 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 346' ' ' ' C' . . . . . 0.65 ' C5 ' ' C4 ' ' B' ' 345' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.882 1 O4'-C4'-C3' 90.303 -10.855 . 0.55 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 347' ' ' ' G' . . . . . 0.618 ' C6 ' ' C6 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 93.665 -8.453 . 0.172 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 348' ' ' ' G' . . . . . 0.618 ' C6 ' ' C6 ' ' B' ' 347' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 O4'-C4'-C3' 91.876 -9.731 . 0.058 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 349' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 O4'-C4'-C3' 91.294 -10.147 . 0.063 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 350' ' ' ' C' . . . . . 0.453 ' O2 ' ' N2 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 3 O4'-C4'-C3' 90.939 -10.4 . 0.59 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 117.121 8.357 . 0.411 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 3 O4'-C4'-C3' 92.332 -9.406 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 117.1 8.333 . 0.323 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 354' ' ' ' A' . . . . . 0.496 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 117.263 8.514 . 0.557 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 355' ' ' ' C' . . . . . 0.532 " H2'" ' C6 ' ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 92.873 -9.019 . 0.8 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 356' ' ' ' C' . . . . . 0.532 ' C6 ' " H2'" ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.842 2 O4'-C4'-C3' 92.974 -8.947 . 0.514 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 357' ' ' ' C' . . . . . 0.498 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 116.241 7.379 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 358' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 O4'-C4'-C3' 94.17 -8.093 . 0.383 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 359' ' ' ' G' . . . . . 0.5 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 92.997 -8.931 . 0.028 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 360' ' ' ' G' . . . . . 0.564 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 93.373 -8.662 . 0.303 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 361' ' ' ' G' . . . . . 0.564 ' C8 ' " H2'" ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 117.046 8.273 . 0.583 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 362' ' ' ' A' . . . . . 0.491 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 117.228 8.475 . 0.266 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 363' ' ' ' G' . . . . . 0.403 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 C1'-O4'-C4' 117.2 8.445 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 0 C3'-C2'-O2' 102.719 -3.649 . 0.025 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 1 C1'-O4'-C4' 115.64 6.711 . 0.015 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 0 C3'-C2'-O2' 102.674 -3.664 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 117.264 8.516 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 368' ' ' ' C' . . . . . 0.448 " H2'" ' C6 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.041 2 O4'-C4'-C3' 91.984 -9.655 . 0.292 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 369' ' ' ' C' . . . . . 0.449 " H2'" ' C6 ' ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 93.513 -8.562 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 370' ' ' ' C' . . . . . 0.449 ' C6 ' " H2'" ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.022 2 O4'-C4'-C3' 93.097 -8.86 . 0.369 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 371' ' ' ' A' . . . . . 0.445 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 C1'-O4'-C4' 116.904 8.116 . 0.294 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.014 2 C1'-O4'-C4' 117.221 8.468 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 373' ' ' ' G' . . . . . 0.566 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 117.238 8.486 . 0.04 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 374' ' ' ' G' . . . . . 0.566 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.886 8.096 . 0.281 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 375' ' ' ' U' . . . . . 0.412 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 O4'-C4'-C3' 92.378 -9.373 . 0.545 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 376' ' ' ' U' . . . . . 0.403 " O3'" ' OP2' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 93.291 -8.721 . 0.173 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -165.49 151.65 9.7 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.1 p -168.03 157.09 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -151.4 155.62 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -171.8 151.0 2.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.042 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.3 -167.74 14.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -130.39 154.78 47.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 0.729 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.97 160.59 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -172.86 155.79 3.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.79 149.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.251 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.66 132.04 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.83 155.44 19.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.241 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.64 140.86 4.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.57 1.169 . . . . 0.0 111.054 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.54 53.84 0.62 Allowed Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 179.87 159.72 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -65.45 166.85 9.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.99 126.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.571 ' C ' ' H ' ' A' ' 20' ' ' GLN . 1.2 mtt85 -85.67 38.63 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.578 ' O ' ' CB ' ' A' ' 20' ' ' GLN . 3.2 t 69.64 -39.35 0.43 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.981 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.578 ' CB ' ' O ' ' A' ' 19' ' ' SER . 0.8 OUTLIER 152.73 31.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.477 ' HB2' ' CB ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -37.9 103.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.521 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.5 OUTLIER -82.16 147.78 28.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.205 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.496 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 21.3 tpp180 -66.87 -5.7 13.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -127.45 27.03 5.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.443 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -120.76 171.81 8.33 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 42.3 t -100.8 132.43 46.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.09 26.82 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.43 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 32.8 t80 -129.87 -56.97 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 29.0 p -105.55 -16.23 14.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 108.347 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 4.3 mmtt 91.26 -23.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.544 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 45.0 mt-10 -40.58 143.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 136.67 39.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 128.84 -48.52 0.97 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.576 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 32.0 p-80 -113.09 169.84 8.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.645 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -106.82 165.36 11.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.135 . . . . 0.0 107.987 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.415 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -58.93 -36.88 75.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -69.77 -5.35 24.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.02 20.29 4.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 21.2 t -67.91 132.92 92.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.332 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.4 Cg_endo -75.07 0.97 8.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.464 ' HE2' ' C5 ' ' B' ' 306' ' ' ' U' . 1.1 mtpt -91.36 -20.7 21.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.42 ' CD ' ' NH1' ' A' ' 44' ' ' ARG . 7.3 mttt -48.89 105.73 0.54 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 81.33 2.24 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.484 1.781 . . . . 0.0 111.037 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.431 ' O ' ' CG ' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -173.26 59.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.52 -177.41 30.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.601 1.188 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -60.07 0.09 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.943 -2.524 . . . . 0.0 111.02 0.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 177.84 161.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.355 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.12 79.58 0.04 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 171.14 18.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.401 ' NH1' ' O2 ' ' B' ' 281' ' ' ' U' . 1.9 ttt180 -138.67 81.74 22.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 127.76 10.94 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.76 155.23 29.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.4 m -145.95 120.88 9.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 110.444 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.57 137.15 4.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.184 . . . . 0.0 110.022 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.35 165.24 18.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . 0.648 ' C6 ' ' C5 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 116.717 7.907 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 277' ' ' ' G' . . . . . 0.648 ' C5 ' ' C6 ' ' B' ' 276' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 O4'-C4'-C3' 91.464 -10.026 . 0.841 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 92.18 -9.514 . 0.531 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . 0.537 ' C6 ' ' C6 ' ' B' ' 280' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 92.449 -9.322 . 0.583 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 280' ' ' ' G' . . . . . 0.537 ' C6 ' ' C6 ' ' B' ' 279' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.028 2 C1'-O4'-C4' 117.258 8.509 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 281' ' ' ' U' . . . . . 0.447 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 O4'-C4'-C3' 93.673 -8.448 . 0.308 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 282' ' ' AP7 . . . . . 0.557 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . 0.557 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.919 3 O4'-C4'-C3' 93.343 -8.683 . 0.426 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.872 8.08 . 0.216 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 285' ' ' ' A' . . . . . 0.51 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 117.117 8.352 . 0.348 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 286' ' ' ' G' . . . . . 0.411 ' C5 ' ' C6 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 93.228 -8.766 . 0.469 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 287' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 92.488 -9.294 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 288' ' ' ' U' . . . . . 0.596 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 92.649 -9.18 . 0.831 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 289' ' ' ' G' . . . . . 0.596 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.953 3 O4'-C4'-C3' 91.767 -9.81 . 0.248 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 290' ' ' ' A' . . . . . 0.422 " H2'" " O5'" ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 O4'-C4'-C3' 92.612 -9.206 . 0.081 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 291' ' ' ' G' . . . . . 0.762 ' C2 ' ' C2 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 116.917 8.13 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 292' ' ' ' A' . . . . . 0.762 ' C2 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 O4'-C4'-C3' 93.345 -8.682 . 0.038 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 293' ' ' ' A' . . . . . 0.426 " O5'" " H2'" ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.012 2 C1'-O4'-C4' 116.864 8.071 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 C1'-O4'-C4' 117.268 8.52 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 295' ' ' ' C' . . . . . 0.428 " H2'" ' C6 ' ' B' ' 296' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 94.084 -8.154 . 0.278 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 296' ' ' ' U' . . . . . 0.428 ' C6 ' " H2'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 117.202 8.447 . 0.483 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 297' ' ' ' A' . . . . . 0.51 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 93.746 -8.396 . 0.436 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . 0.404 " O2'" " H5'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.982 3 O4'-C4'-C3' 93.439 -8.615 . 0.526 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 299' ' ' ' C' . . . . . 0.531 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.913 3 O4'-C4'-C3' 92.186 -9.51 . 0.27 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 300' ' ' ' U' . . . . . 0.614 " H2'" ' C6 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.41 -3.548 2 C1'-O4'-C4' 117.711 9.012 . 0.549 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 301' ' ' ' C' . . . . . 0.817 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.926 3 O4'-C4'-C3' 92.192 -9.505 . 0.115 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 302' ' ' ' U' . . . . . 0.817 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 93.349 -8.679 . 0.362 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 303' ' ' ' G' . . . . . 0.454 ' C8 ' " H2'" ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 92.518 -9.273 . 0.327 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 304' ' ' ' U' . . . . . 0.723 " O2'" ' OP1' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.048 2 C1'-O4'-C4' 115.954 7.06 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' B' B ' 305' ' ' ' A' . . . . . 0.723 ' OP1' " O2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.932 1 O4'-C4'-C3' 90.975 -10.375 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 306' ' ' ' U' . . . . . 0.525 " O2'" ' OP1' ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 O4'-C4'-C3' 92.371 -9.378 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' B' B ' 307' ' ' ' C' . . . . . 0.525 ' OP1' " O2'" ' B' ' 306' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.035 2 O4'-C4'-C3' 93.544 -8.54 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 308' ' ' ' U' . . . . . 0.414 ' OP2' " H2'" ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.035 2 O4'-C4'-C3' 92.256 -9.46 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 309' ' ' ' G' . . . . . 0.521 ' N2 ' ' O ' ' A' ' 22' ' ' ASP . . . . . . . . 0 C3'--C2' 1.505 -1.859 1 O4'-C4'-C3' 90.999 -10.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 310' ' ' ' G' . . . . . 0.462 " C5'" " H2'" ' B' ' 309' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 O4'-C4'-C3' 92.447 -9.323 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 311' ' ' ' C' . . . . . 0.41 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 O4'-C4'-C3' 93.351 -8.678 . 0.331 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 312' ' ' ' G' . . . . . 0.543 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 115.997 7.108 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 313' ' ' ' G' . . . . . 0.648 ' N1 ' ' C2 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.507 2 C1'-O4'-C4' 116.864 8.071 . 0.069 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 314' ' ' ' A' . . . . . 0.662 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.469 7.633 . 0.06 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 315' ' ' ' C' . . . . . 0.662 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.304 -12.384 2 C1'-O4'-C4' 119.445 10.939 . 0.01 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 316' ' ' ' C' . . . . . 0.412 " H2'" " O4'" ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.964 1 C1'-O4'-C4' 115.761 6.845 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 317' ' ' ' C' . . . . . 0.464 ' N4 ' ' O6 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.213 2 O4'-C4'-C3' 93.722 -8.413 . 0.148 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 318' ' ' ' G' . . . . . 0.914 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.799 2 O4'-C4'-C3' 91.633 -9.905 . 0.715 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 319' ' ' ' U' . . . . . 0.568 H5'' " H3'" ' B' ' 318' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.524 5.937 2 O4'-C4'-C3' 88.781 -11.942 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' B' B ' 320' ' ' ' G' . . . . . 0.914 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.86 3 C5'-C4'-O4' 100.334 -6.333 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 321' ' ' ' G' . . . . . 0.678 ' C5 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.989 3 O4'-C4'-C3' 92.018 -9.63 . 0.068 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 322' ' ' ' U' . . . . . 0.467 " H2'" ' C8 ' ' B' ' 323' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.936 3 O4'-C4'-C3' 91.694 -9.861 . 0.292 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 323' ' ' ' G' . . . . . 0.467 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.405 7.562 . 0.337 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 324' ' ' ' G' . . . . . 0.704 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.891 0 C3'-C2'-O2' 102.712 -3.651 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 325' ' ' ' A' . . . . . 0.704 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 117.169 8.41 . 0.132 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 326' ' ' ' A' . . . . . 0.605 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.677 7.864 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.831 2 C1'-O4'-C4' 116.723 7.914 . 0.637 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 328' ' ' ' U' . . . . . 0.653 ' C4 ' ' N7 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.418 8.686 . 0.851 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 329' ' ' ' G' . . . . . 0.653 ' N7 ' ' C4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 91.335 -10.118 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 330' ' ' ' U' . . . . . 0.417 ' C5 ' ' C5 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.541 2 C1'-O4'-C4' 117.508 8.787 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 331' ' ' ' G' . . . . . 0.718 ' C2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.977 3 C1'-O4'-C4' 117.272 8.525 . 0.134 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 332' ' ' ' A' . . . . . 0.718 ' C2 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 117.331 8.59 . 0.122 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 333' ' ' ' A' . . . . . 0.524 ' N6 ' ' N1 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 117.069 8.299 . 0.033 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 334' ' ' ' G' . . . . . 0.513 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 C1'-O4'-C4' 116.833 8.037 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 335' ' ' ' U' . . . . . 0.611 ' C4 ' ' O4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.854 2 C1'-O4'-C4' 117.236 8.484 . 0.221 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 336' ' ' ' U' . . . . . 0.611 ' O4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.966 3 O4'-C4'-C3' 93.84 -8.328 . 0.451 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 337' ' ' ' C' . . . . . 0.616 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 91.11 -10.279 . 0.439 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 338' ' ' ' G' . . . . . 0.806 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.039 1 O4'-C4'-C3' 90.098 -11.002 . 0.354 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 339' ' ' ' G' . . . . . 0.806 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.839 2 C1'-O4'-C4' 99.351 -11.388 OUTLIER-EPSILON 0.01 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 340' ' ' ' A' . . . . . 0.811 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.036 3 O4'-C4'-C3' 93.225 -8.768 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 341' ' ' ' A' . . . . . 0.811 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 117.431 8.702 . 0.518 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 116.632 7.813 . 0.657 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 343' ' ' ' A' . . . . . 0.607 ' C5 ' ' C4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 117.122 8.357 . 0.681 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 344' ' ' ' C' . . . . . 0.607 ' C4 ' ' C5 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 O4'-C4'-C3' 93.731 -8.406 . 0.538 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 345' ' ' ' C' . . . . . 0.508 ' N4 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.483 2.48 2 O4'-C4'-C3' 94.122 -8.127 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 346' ' ' ' C' . . . . . 0.501 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 91.788 -9.794 . 0.664 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 347' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 92.867 -9.023 . 0.474 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 348' ' ' ' G' . . . . . 0.661 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 O4'-C4'-C3' 93.389 -8.651 . 0.651 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 349' ' ' ' C' . . . . . 0.661 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 91.803 -9.784 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 350' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.053 3 O4'-C4'-C3' 91.147 -10.252 . 0.295 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 117.292 8.546 . 0.294 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 O4'-C4'-C3' 92.458 -9.316 . 0.398 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 353' ' ' ' A' . . . . . 0.436 " H2'" ' C8 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 O4'-C4'-C3' 94.107 -8.138 . 0.346 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 354' ' ' ' A' . . . . . 0.528 ' C6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 116.989 8.21 . 0.318 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 355' ' ' ' C' . . . . . 0.544 " H2'" ' C6 ' ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 O4'-C4'-C3' 93.792 -8.363 . 0.586 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 356' ' ' ' C' . . . . . 0.544 ' C6 ' " H2'" ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 O4'-C4'-C3' 94.186 -8.081 . 0.628 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 357' ' ' ' C' . . . . . 0.506 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 115.962 7.069 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 358' ' ' ' U' . . . . . 0.463 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 O4'-C4'-C3' 91.67 -9.879 . 0.098 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 359' ' ' ' G' . . . . . 0.57 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.883 2 O4'-C4'-C3' 91.952 -9.677 . 0.463 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 360' ' ' ' G' . . . . . 0.57 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 O4'-C4'-C3' 93.8 -8.357 . 0.331 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 361' ' ' ' G' . . . . . 0.569 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 94.416 -7.917 . 0.37 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 362' ' ' ' A' . . . . . 0.569 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.609 7.788 . 0.528 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 363' ' ' ' G' . . . . . 0.47 " C5'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.563 2 C1'-O4'-C4' 117.284 8.538 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 1 C1'-O4'-C4' 105.303 -4.775 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 1 C5'-C4'-O4' 103.408 -4.137 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.075 1 C1'-O4'-C4' 115.228 6.253 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 117.284 8.538 . 0.618 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 368' ' ' ' C' . . . . . 0.535 " H2'" ' C6 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 92.33 -9.407 . 0.112 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 369' ' ' ' C' . . . . . 0.535 ' C6 ' " H2'" ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 93.912 -8.277 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 370' ' ' ' C' . . . . . 0.416 ' C6 ' " H2'" ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 92.494 -9.29 . 0.14 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 116.834 8.038 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 93.94 -8.257 . 0.709 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 373' ' ' ' G' . . . . . 0.569 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 116.912 8.124 . 0.701 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 374' ' ' ' G' . . . . . 0.569 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 O4'-C4'-C3' 94.158 -8.102 . 0.221 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 375' ' ' ' U' . . . . . 0.503 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 O4'-C4'-C3' 91.598 -9.93 . 0.837 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.027 2 O4'-C4'-C3' 92.568 -9.237 . 0.468 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 m 63.19 137.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.443 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.1 m -110.76 151.2 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 63.6 t -110.25 -77.56 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.9 p -61.43 136.91 58.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 152.47 131.82 1.73 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -125.95 -72.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 110.351 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.0 mttm 52.02 99.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -87.76 152.45 22.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -161.36 162.0 30.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.55 106.5 3.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.454 1.096 . . . . 0.0 110.34 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 177.99 128.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.58 171.4 31.91 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.68 154.98 26.18 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.76 115.25 9.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 110.255 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 5.1 tmt_? 179.28 142.0 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.424 ' N ' ' HD3' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -160.34 -78.67 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 0.0 110.344 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 1.103 ' O ' ' N ' ' A' ' 20' ' ' GLN . 2.1 mtt180 36.39 61.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.256 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 0.5 OUTLIER -33.03 61.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.036 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 1.103 ' N ' ' O ' ' A' ' 18' ' ' ARG . 41.1 mt-30 67.7 56.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.509 ' CD1' ' HG2' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -73.61 101.2 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.464 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.2 OUTLIER -76.41 150.02 36.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -65.84 -9.41 28.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -123.15 27.36 7.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.405 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.9 mt-30 -119.0 170.84 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 37.9 t -98.33 134.11 41.8 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.471 1.107 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.602 ' HB3' ' C6 ' ' B' ' 309' ' ' ' G' . . . -93.3 21.49 6.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.594 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 22.7 t80 -125.32 -63.85 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 111.037 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.749 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 28.4 p -96.49 -20.63 18.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 108.324 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.604 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.4 OUTLIER 95.73 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.749 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -41.35 143.18 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -101.16 142.36 32.71 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.202 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.39 -46.74 1.06 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.593 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 16.8 p-80 -113.96 155.85 25.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -90.49 165.96 13.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 108.05 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.515 ' CB ' ' O6 ' ' B' ' 309' ' ' ' G' . . . -58.56 -39.97 81.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' NZ ' " O2'" ' B' ' 307' ' ' ' C' . 0.1 OUTLIER -69.95 -6.29 32.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.12 19.22 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.593 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 35.5 t -72.32 130.61 85.88 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 108.293 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 0.57 8.69 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.594 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 1.5 ttmt -82.63 -16.85 46.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.413 ' NZ ' ' N3 ' ' B' ' 307' ' ' ' C' . 9.6 mttt -47.06 104.87 0.43 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.569 ' HB3' ' C6 ' ' B' ' 276' ' ' ' G' . 18.4 Cg_endo -75.0 172.48 16.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.481 ' CZ ' ' P ' ' B' ' 276' ' ' ' G' . 6.5 mtm180 -137.3 135.52 37.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.343 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.424 ' HA2' ' N ' ' A' ' 47' ' ' ARG . . . -70.61 -175.85 19.67 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 119.24 5.84 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.023 -0.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' N ' ' HA2' ' A' ' 45' ' ' GLY . 1.6 tpm_? -150.22 88.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.08 113.96 3.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.437 1.086 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.65 34.14 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.477 1.777 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.58 88.17 0.12 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -45.62 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.416 1.746 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 176.38 136.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.8 m -108.56 -72.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.374 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.8 p -139.3 147.4 41.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.168 . . . . 0.0 110.056 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mp -83.8 67.85 9.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 tt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.27 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . 0.635 ' N1 ' ' C5 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.068 2 C1'-O4'-C4' 117.304 8.56 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 277' ' ' ' G' . . . . . 0.635 ' C5 ' ' N1 ' ' B' ' 276' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 O4'-C4'-C3' 91.657 -9.888 . 0.716 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.828 2 O4'-C4'-C3' 92.709 -9.136 . 0.416 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 93.081 -8.871 . 0.635 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 280' ' ' ' G' . . . . . 0.415 ' C2 ' ' O2 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.873 2 C1'-O4'-C4' 117.143 8.381 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 281' ' ' ' U' . . . . . 0.447 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 O4'-C4'-C3' 93.233 -8.762 . 0.279 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 282' ' ' AP7 . . . . . 0.571 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . 0.571 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 O4'-C4'-C3' 94.066 -8.167 . 0.441 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.845 2 C1'-O4'-C4' 117.234 8.483 . 0.213 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 285' ' ' ' A' . . . . . 0.424 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 117.275 8.528 . 0.118 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 93.161 -8.814 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 287' ' ' ' U' . . . . . 0.492 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 92.857 -9.031 . 0.662 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 288' ' ' ' U' . . . . . 0.519 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 92.464 -9.311 . 0.611 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 289' ' ' ' G' . . . . . 0.519 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 92.004 -9.64 . 0.567 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 290' ' ' ' A' . . . . . 0.651 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.05 2 C1'-O4'-C4' 116.014 7.127 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 291' ' ' ' G' . . . . . 0.654 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.232 8.48 . 0.022 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 292' ' ' ' A' . . . . . 0.654 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.038 2 O4'-C4'-C3' 92.41 -9.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 293' ' ' ' A' . . . . . 0.485 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 117.197 8.442 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 117.052 8.28 . 0.215 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 295' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 O4'-C4'-C3' 93.131 -8.835 . 0.357 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 296' ' ' ' U' . . . . . 0.432 " H2'" ' C8 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 91.897 -9.716 . 0.652 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 297' ' ' ' A' . . . . . 0.432 ' C8 ' " H2'" ' B' ' 296' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.062 2 O4'-C4'-C3' 93.514 -8.562 . 0.648 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 93.247 -8.752 . 0.64 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 299' ' ' ' C' . . . . . 0.57 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.988 3 O4'-C4'-C3' 91.985 -9.654 . 0.563 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 300' ' ' ' U' . . . . . 0.634 ' C4 ' ' N4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.566 2 C1'-O4'-C4' 117.378 8.642 . 0.575 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 301' ' ' ' C' . . . . . 0.814 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.891 3 O4'-C4'-C3' 92.826 -9.053 . 0.166 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 302' ' ' ' U' . . . . . 0.814 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 117.36 8.623 . 0.016 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 303' ' ' ' G' . . . . . 0.439 " O4'" " H2'" ' B' ' 302' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.533 2 O4'-C4'-C3' 92.75 -9.107 . 0.101 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 304' ' ' ' U' . . . . . 0.572 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 116.194 7.327 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 305' ' ' ' A' . . . . . 0.572 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.033 2 O4'-C4'-C3' 91.611 -9.921 . 0.019 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 306' ' ' ' U' . . . . . 0.58 " O2'" ' OP1' ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 92.458 -9.316 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' B' B ' 307' ' ' ' C' . . . . . 0.58 ' OP1' " O2'" ' B' ' 306' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 93.985 -8.225 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 308' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 92.352 -9.391 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 309' ' ' ' G' . . . . . 0.602 ' C6 ' ' HB3' ' A' ' 27' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -1.985 3 O4'-C4'-C3' 91.886 -9.724 . 0.01 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 310' ' ' ' G' . . . . . 0.507 ' O6 ' ' C4 ' ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 91.418 -10.059 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.867 2 O4'-C4'-C3' 92.214 -9.49 . 0.365 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 312' ' ' ' G' . . . . . 0.57 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.742 7.935 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 313' ' ' ' G' . . . . . 0.587 ' C2 ' ' C2 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.203 2 C1'-O4'-C4' 117.491 8.768 . 0.112 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 314' ' ' ' A' . . . . . 0.669 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 116.79 7.989 . 0.694 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 315' ' ' ' C' . . . . . 0.669 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.303 -12.465 2 C1'-O4'-C4' 119.427 10.918 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 93.806 -8.353 . 0.28 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 317' ' ' ' C' . . . . . 0.464 " H2'" ' C8 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.849 2 O4'-C4'-C3' 93.773 -8.376 . 0.829 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 318' ' ' ' G' . . . . . 0.81 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 117.262 8.513 . 0.287 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.484 2.544 2 O4'-C4'-C3' 92.456 -9.317 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 320' ' ' ' G' . . . . . 0.81 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.851 3 C1'-O4'-C4' 115.025 6.028 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 321' ' ' ' G' . . . . . 0.651 ' C6 ' ' N3 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.9 3 O4'-C4'-C3' 92.383 -9.369 . 0.127 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 322' ' ' ' U' . . . . . 0.651 ' N3 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 90.528 -10.694 . 0.566 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 323' ' ' ' G' . . . . . 0.577 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 116.5 7.667 . 0.347 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 324' ' ' ' G' . . . . . 0.704 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.957 0 C3'-C2'-O2' 102.659 -3.669 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 325' ' ' ' A' . . . . . 0.704 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.214 2 C1'-O4'-C4' 117.362 8.625 . 0.056 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 326' ' ' ' A' . . . . . 0.632 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 116.475 7.639 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 116.811 8.012 . 0.594 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 328' ' ' ' U' . . . . . 0.635 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.04 2 C1'-O4'-C4' 117.173 8.415 . 0.832 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 329' ' ' ' G' . . . . . 0.635 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 O4'-C4'-C3' 92.894 -9.005 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 O4'-C4'-C3' 91.549 -9.965 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 331' ' ' ' G' . . . . . 0.583 " H2'" ' C8 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 94.199 -8.072 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 332' ' ' ' A' . . . . . 0.583 ' C8 ' " H2'" ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 C1'-O4'-C4' 116.902 8.113 . 0.199 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 333' ' ' ' A' . . . . . 0.424 " C2'" " O5'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.739 7.932 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 334' ' ' ' G' . . . . . 0.424 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.063 2 C1'-O4'-C4' 116.715 7.906 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 335' ' ' ' U' . . . . . 0.595 ' C4 ' ' O4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 117.339 8.599 . 0.647 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 336' ' ' ' U' . . . . . 0.595 ' O4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.986 3 O4'-C4'-C3' 93.448 -8.609 . 0.445 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 337' ' ' ' C' . . . . . 0.635 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.044 2 O4'-C4'-C3' 91.059 -10.315 . 0.431 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 338' ' ' ' G' . . . . . 0.813 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 O4'-C4'-C3' 90.445 -10.754 . 0.622 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 339' ' ' ' G' . . . . . 0.813 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 99.297 -11.448 OUTLIER-EPSILON 0.026 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 340' ' ' ' A' . . . . . 0.805 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.057 2 O4'-C4'-C3' 91.947 -9.681 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 341' ' ' ' A' . . . . . 0.805 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.252 8.502 . 0.257 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 3 C1'-O4'-C4' 116.826 8.029 . 0.136 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 343' ' ' ' A' . . . . . 0.538 ' C5 ' ' C4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 116.923 8.136 . 0.619 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 344' ' ' ' C' . . . . . 0.538 ' C4 ' ' C5 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 93.215 -8.775 . 0.399 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 345' ' ' ' C' . . . . . 0.625 ' C4 ' ' C5 ' ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 117.23 8.478 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 346' ' ' ' C' . . . . . 0.627 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.984 1 O4'-C4'-C3' 90.544 -10.683 . 0.417 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 347' ' ' ' G' . . . . . 0.576 ' C8 ' " H2'" ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 92.249 -9.465 . 0.261 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 348' ' ' ' G' . . . . . 0.643 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 O4'-C4'-C3' 91.927 -9.695 . 0.199 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 349' ' ' ' C' . . . . . 0.643 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 O4'-C4'-C3' 91.056 -10.317 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 350' ' ' ' C' . . . . . 0.444 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.063 3 O4'-C4'-C3' 90.945 -10.396 . 0.445 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.224 8.471 . 0.429 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 3 O4'-C4'-C3' 92.307 -9.423 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 353' ' ' ' A' . . . . . 0.422 " H2'" ' C8 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 117.241 8.49 . 0.199 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 354' ' ' ' A' . . . . . 0.489 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.056 2 C1'-O4'-C4' 117.17 8.411 . 0.575 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 355' ' ' ' C' . . . . . 0.489 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 O4'-C4'-C3' 92.915 -8.99 . 0.68 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 356' ' ' ' C' . . . . . 0.521 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.113 -8.848 . 0.055 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 357' ' ' ' C' . . . . . 0.521 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.888 2 C1'-O4'-C4' 116.241 7.379 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 358' ' ' ' U' . . . . . 0.46 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 O4'-C4'-C3' 92.914 -8.99 . 0.328 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 359' ' ' ' G' . . . . . 0.57 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 O4'-C4'-C3' 93.877 -8.302 . 0.128 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 360' ' ' ' G' . . . . . 0.572 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 117.081 8.312 . 0.149 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 361' ' ' ' G' . . . . . 0.572 ' C8 ' " H2'" ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.855 2 C1'-O4'-C4' 117.089 8.321 . 0.323 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 362' ' ' ' A' . . . . . 0.565 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 117.175 8.416 . 0.49 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 363' ' ' ' G' . . . . . 0.401 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 117.19 8.433 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 93.4 -8.643 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 0 C3'-C2'-O2' 102.7 -3.655 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 0 C3'-C2'-O2' 102.71 -3.652 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 117.209 8.455 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 368' ' ' ' C' . . . . . 0.414 " H2'" ' C6 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 O4'-C4'-C3' 92.378 -9.373 . 0.165 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 369' ' ' ' C' . . . . . 0.46 " H2'" ' C6 ' ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 93.547 -8.538 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 370' ' ' ' C' . . . . . 0.46 ' C6 ' " H2'" ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 O4'-C4'-C3' 92.918 -8.987 . 0.016 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 371' ' ' ' A' . . . . . 0.447 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 C1'-O4'-C4' 116.779 7.977 . 0.166 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 O4'-C4'-C3' 93.891 -8.292 . 0.664 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 373' ' ' ' G' . . . . . 0.565 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 117.182 8.425 . 0.429 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 374' ' ' ' G' . . . . . 0.565 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 O4'-C4'-C3' 93.709 -8.422 . 0.031 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 3 O4'-C4'-C3' 93.831 -8.335 . 0.426 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 376' ' ' ' U' . . . . . 0.507 ' C4 ' ' O6 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 C1'-O4'-C4' 117.139 8.377 . 0.647 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.7 p -142.65 87.61 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.461 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 4' ' ' VAL . 31.1 m -61.56 -40.86 88.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' VAL . 30.7 m 37.0 62.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 t -127.39 92.45 3.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.33 -84.13 0.37 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.08 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -168.26 141.28 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 110.359 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.52 173.91 6.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.62 100.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -150.48 165.52 32.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.29 159.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -107.89 168.8 9.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.03 167.16 39.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.77 122.13 2.57 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 64.07 117.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.98 139.14 45.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 19' ' ' SER . 5.5 ttt180 -162.52 79.62 0.5 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.482 1.114 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.474 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER 39.83 26.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 17' ' ' ARG . 26.0 t -45.79 -50.27 14.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.64 35.17 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.474 ' HB2' ' HB2' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -58.99 112.74 1.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.555 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 1.0 OUTLIER -95.7 150.03 20.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 0.1 OUTLIER -66.4 -5.37 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.213 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.81 29.06 4.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.416 1.072 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -119.2 -177.85 3.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' A' ' 36' ' ' ALA . 49.7 t -110.75 134.16 52.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 108.296 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.518 ' HB3' ' C6 ' ' B' ' 309' ' ' ' G' . . . -94.15 27.02 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.437 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 16.4 t80 -127.52 -63.54 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.697 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 24.3 p -93.18 -14.64 26.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.314 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 40.6 mmtt 75.43 26.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.697 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 2.4 mt-10 -83.57 -177.54 6.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.24 125.25 28.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.64 -45.71 1.1 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.557 1.161 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.637 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 42.8 p-80 -114.12 169.14 9.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.585 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -106.16 166.64 10.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 108.053 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.519 ' CB ' ' O6 ' ' B' ' 309' ' ' ' G' . . . -58.5 -38.82 78.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -4.95 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -131.62 24.18 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.637 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 29.4 t -71.1 132.9 86.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.02 1.08 8.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.768 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.526 ' CE ' ' O4 ' ' B' ' 306' ' ' ' U' . 0.8 OUTLIER -95.46 -18.48 20.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 41' ' ' LYS . 4.2 mttt -39.91 100.18 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' LYS . 18.4 Cg_endo -74.95 157.58 42.89 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.548 1.815 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -136.91 147.53 46.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.05 -179.1 19.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 165.42 85.95 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.904 0.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.43 51.97 0.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.33 93.28 0.1 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.41 1.068 . . . . 0.0 111.011 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 166.33 29.37 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.518 1.799 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.88 129.24 24.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 155.98 43.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -166.12 126.69 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.1 t -134.9 133.22 39.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.358 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.49 156.6 19.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.983 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.27 171.02 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.8 tt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.029 2 C1'-O4'-C4' 116.704 7.893 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 92.428 -9.337 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.051 2 C1'-O4'-C4' 116.966 8.185 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . 0.431 " H2'" ' C8 ' ' B' ' 280' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 93.749 -8.394 . 0.645 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 280' ' ' ' G' . . . . . 0.431 ' C8 ' " H2'" ' B' ' 279' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.045 2 C1'-O4'-C4' 117.192 8.435 . 0.691 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 281' ' ' ' U' . . . . . 0.451 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 O4'-C4'-C3' 93.31 -8.707 . 0.228 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 282' ' ' AP7 . . . . . 0.567 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . 0.567 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 117.159 8.399 . 0.457 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 117.262 8.514 . 0.637 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 285' ' ' ' A' . . . . . 0.796 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 C1'-O4'-C4' 117.165 8.406 . 0.339 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 286' ' ' ' G' . . . . . 0.44 ' C6 ' ' C4 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 93.468 -8.594 . 0.906 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 287' ' ' ' U' . . . . . 0.486 ' C4 ' ' C5 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 93.411 -8.635 . 0.553 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 288' ' ' ' U' . . . . . 0.635 ' C4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.925 1 O4'-C4'-C3' 91.057 -10.317 . 0.857 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 289' ' ' ' G' . . . . . 0.635 ' C6 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 O4'-C4'-C3' 92.067 -9.595 . 0.448 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 290' ' ' ' A' . . . . . 0.448 " H2'" " C5'" ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 117.145 8.384 . 0.01 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 291' ' ' ' G' . . . . . 0.658 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 117.381 8.645 . 0.037 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 292' ' ' ' A' . . . . . 0.658 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 O4'-C4'-C3' 91.312 -10.134 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 293' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 1 C1'-O4'-C4' 114.177 5.085 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . 0.502 " H2'" ' C6 ' ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 116.812 8.014 . 0.095 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 295' ' ' ' C' . . . . . 0.502 ' C6 ' " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.921 8.135 . 0.412 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 296' ' ' ' U' . . . . . 0.42 " H2'" ' C8 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 O4'-C4'-C3' 93.556 -8.531 . 0.681 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 297' ' ' ' A' . . . . . 0.796 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.854 2 O4'-C4'-C3' 93.462 -8.598 . 0.606 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . 0.407 " H2'" " O4'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.969 3 O4'-C4'-C3' 92.832 -9.048 . 0.04 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 299' ' ' ' C' . . . . . 0.47 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.013 3 O4'-C4'-C3' 92.206 -9.495 . 0.568 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 300' ' ' ' U' . . . . . 0.609 " H2'" ' C6 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.141 2 C1'-O4'-C4' 117.621 8.913 . 0.316 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 301' ' ' ' C' . . . . . 0.822 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.934 3 O4'-C4'-C3' 92.253 -9.462 . 0.139 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 302' ' ' ' U' . . . . . 0.822 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.027 8.252 . 0.068 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 303' ' ' ' G' . . . . . 0.501 ' C5 ' ' C5 ' ' B' ' 304' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.207 2 O4'-C4'-C3' 92.158 -9.53 . 0.179 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 304' ' ' ' U' . . . . . 0.575 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.932 1 C1'-O4'-C4' 115.81 6.9 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 305' ' ' ' A' . . . . . 0.575 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 92.504 -9.283 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 306' ' ' ' U' . . . . . 0.526 ' O4 ' ' CE ' ' A' ' 41' ' ' LYS . . . . . . . . 0 C3'--C2' 1.503 -1.956 1 O4'-C4'-C3' 91.833 -9.762 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 307' ' ' ' C' . . . . . 0.419 " H1'" ' HB3' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -1.966 3 C1'-O4'-C4' 117.122 8.357 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 308' ' ' ' U' . . . . . 0.489 ' O4 ' ' CE ' ' A' ' 30' ' ' LYS . . . . . . . . 0 C3'--C2' 1.504 -1.916 3 O4'-C4'-C3' 90.967 -10.381 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 309' ' ' ' G' . . . . . 0.555 ' N2 ' ' O ' ' A' ' 22' ' ' ASP . . . . . . . . 0 C3'--C2' 1.504 -1.913 1 O4'-C4'-C3' 90.121 -10.985 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 310' ' ' ' G' . . . . . 0.491 " H2'" ' C6 ' ' B' ' 311' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 92.18 -9.514 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 311' ' ' ' C' . . . . . 0.491 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 92.796 -9.075 . 0.193 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 312' ' ' ' G' . . . . . 0.498 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 116.304 7.449 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 313' ' ' ' G' . . . . . 0.555 " H2'" ' C8 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.171 8.412 . 0.223 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 314' ' ' ' A' . . . . . 0.582 " H2'" " O5'" ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.815 2 C1'-O4'-C4' 116.945 8.161 . 0.715 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 315' ' ' ' C' . . . . . 0.582 " O5'" " H2'" ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.293 -13.356 2 C1'-O4'-C4' 119.606 11.117 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' B' B ' 316' ' ' ' C' . . . . . 0.565 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 116.443 7.604 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 317' ' ' ' C' . . . . . 0.565 ' C6 ' " H2'" ' B' ' 316' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 117.286 8.54 . 0.543 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 318' ' ' ' G' . . . . . 0.765 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 117.219 8.466 . 0.307 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.494 3.41 2 O4'-C4'-C3' 92.23 -9.479 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 320' ' ' ' G' . . . . . 0.765 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.98 3 C1'-O4'-C4' 114.961 5.956 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 321' ' ' ' G' . . . . . 0.635 ' C5 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.964 3 O4'-C4'-C3' 92.31 -9.422 . 0.062 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 322' ' ' ' U' . . . . . 0.565 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.881 3 O4'-C4'-C3' 91.003 -10.355 . 0.663 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 323' ' ' ' G' . . . . . 0.53 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.823 8.026 . 0.308 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 324' ' ' ' G' . . . . . 0.664 ' N1 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.879 0 C3'-C2'-O2' 102.704 -3.654 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 325' ' ' ' A' . . . . . 0.664 ' C6 ' ' N1 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.777 2 C1'-O4'-C4' 117.405 8.672 . 0.031 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 326' ' ' ' A' . . . . . 0.59 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 116.495 7.661 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.741 7.934 . 0.623 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 328' ' ' ' U' . . . . . 0.614 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.193 8.437 . 0.857 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 329' ' ' ' G' . . . . . 0.614 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.954 1 O4'-C4'-C3' 90.115 -10.989 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 1 O4'-C4'-C3' 90.915 -10.418 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 331' ' ' ' G' . . . . . 0.558 ' C2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.06 3 O4'-C4'-C3' 93.522 -8.556 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 332' ' ' ' A' . . . . . 0.558 ' C2 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 94.196 -8.074 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 333' ' ' ' A' . . . . . 0.44 " C2'" " O5'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 C1'-O4'-C4' 116.694 7.883 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 334' ' ' ' G' . . . . . 0.44 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 116.821 8.023 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 335' ' ' ' U' . . . . . 0.641 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.048 2 C1'-O4'-C4' 117.197 8.441 . 0.688 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 336' ' ' ' U' . . . . . 0.675 ' C4 ' ' C4 ' ' B' ' 337' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 C1'-O4'-C4' 116.984 8.205 . 0.487 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 337' ' ' ' C' . . . . . 0.675 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.984 3 O4'-C4'-C3' 92.113 -9.562 . 0.344 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 338' ' ' ' G' . . . . . 0.75 ' C5 ' ' N7 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.988 1 O4'-C4'-C3' 89.487 -11.438 . 0.192 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 339' ' ' ' G' . . . . . 0.75 ' N7 ' ' C5 ' ' B' ' 338' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.187 -22.165 2 C5'-C4'-O4' 135.266 18.618 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear orig full ' B' B ' 340' ' ' ' A' . . . . . 0.823 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.973 3 O4'-C4'-C3' 91.522 -9.984 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 341' ' ' ' A' . . . . . 0.823 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.273 2 C1'-O4'-C4' 117.385 8.65 . 0.649 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 116.649 7.832 . 0.29 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 343' ' ' ' A' . . . . . 0.549 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 117.118 8.353 . 0.766 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 344' ' ' ' C' . . . . . 0.549 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 O4'-C4'-C3' 93.511 -8.564 . 0.601 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 345' ' ' ' C' . . . . . 0.595 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 O4'-C4'-C3' 94.058 -8.173 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 346' ' ' ' C' . . . . . 0.722 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 90.536 -10.689 . 0.065 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 347' ' ' ' G' . . . . . 0.644 ' C6 ' ' C6 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 93.087 -8.866 . 0.266 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 348' ' ' ' G' . . . . . 0.657 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 92.782 -9.084 . 0.062 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 349' ' ' ' C' . . . . . 0.657 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 O4'-C4'-C3' 91.287 -10.152 . 0.022 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 350' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.899 3 O4'-C4'-C3' 91.603 -9.927 . 0.177 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 117.272 8.524 . 0.371 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 O4'-C4'-C3' 92.445 -9.325 . 0.278 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.239 8.488 . 0.223 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 354' ' ' ' A' . . . . . 0.498 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.851 2 O4'-C4'-C3' 93.684 -8.44 . 0.642 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 355' ' ' ' C' . . . . . 0.546 " H2'" ' C6 ' ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 O4'-C4'-C3' 93.35 -8.679 . 0.674 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 356' ' ' ' C' . . . . . 0.556 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.844 2 O4'-C4'-C3' 92.114 -9.561 . 0.056 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 357' ' ' ' C' . . . . . 0.556 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.825 2 C1'-O4'-C4' 116.176 7.307 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 358' ' ' ' U' . . . . . 0.421 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 94.095 -8.146 . 0.346 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 359' ' ' ' G' . . . . . 0.57 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 93.328 -8.695 . 0.307 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 360' ' ' ' G' . . . . . 0.57 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 117.045 8.272 . 0.077 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 361' ' ' ' G' . . . . . 0.563 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 93.953 -8.248 . 0.316 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 362' ' ' ' A' . . . . . 0.563 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 116.915 8.128 . 0.457 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 363' ' ' ' G' . . . . . 0.533 ' C8 ' " C4'" ' B' ' 363' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.351 -8.467 1 C5'-C4'-O4' 124.483 10.916 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear orig full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 1 C1'-O4'-C4' 105.222 -4.864 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 1 C1'-O4'-C4' 104.855 -5.272 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 117.103 8.336 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.67 7.855 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 368' ' ' ' C' . . . . . 0.481 " H2'" ' C6 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 92.96 -8.957 . 0.312 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 369' ' ' ' C' . . . . . 0.481 ' C6 ' " H2'" ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.877 2 C1'-O4'-C4' 117.054 8.282 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 370' ' ' ' C' . . . . . 0.463 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 93.085 -8.868 . 0.047 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 371' ' ' ' A' . . . . . 0.463 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.066 2 C1'-O4'-C4' 116.896 8.107 . 0.413 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.942 8.158 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 373' ' ' ' G' . . . . . 0.557 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 116.877 8.085 . 0.475 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 374' ' ' ' G' . . . . . 0.557 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 O4'-C4'-C3' 93.892 -8.291 . 0.384 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 375' ' ' ' U' . . . . . 0.451 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.882 3 O4'-C4'-C3' 93.801 -8.357 . 0.598 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 376' ' ' ' U' . . . . . 0.41 " O3'" ' OP2' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 92.361 -9.385 . 0.304 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.517 ' O ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 1' ' ' ALA . 23.9 p -157.85 135.57 10.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.0 p -175.91 137.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.412 HG11 ' N ' ' A' ' 5' ' ' SER . 7.3 p -127.24 -46.2 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.412 ' N ' HG11 ' A' ' 4' ' ' VAL . 32.9 t -169.65 153.3 4.96 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 110.044 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.7 -156.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 177.69 152.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.762 . . . . 0.0 110.354 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -102.52 140.31 36.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.396 1.06 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 10' ' ' ASP . 14.8 pt20 -155.27 131.34 10.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 9' ' ' GLN . 35.8 m-20 60.79 145.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 134.1 54.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -55.54 141.28 37.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.12 -107.4 1.19 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.08 160.65 21.64 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.09 160.73 39.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.5 mtt85 -58.34 119.95 7.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.24 149.71 14.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.677 ' O ' ' C ' ' A' ' 19' ' ' SER . 4.2 mtt85 -67.54 78.15 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.248 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.677 ' C ' ' O ' ' A' ' 18' ' ' ARG . 41.6 t 2.23 -79.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.534 ' N ' ' O ' ' A' ' 18' ' ' ARG . 9.5 mt-30 -154.61 46.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.642 ' HB2' ' HB3' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -42.03 100.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.244 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.461 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.2 OUTLIER -77.58 151.51 34.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.465 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 0.0 OUTLIER -64.28 -10.12 21.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.9 31.24 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -121.2 132.32 54.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 41.7 t -64.34 131.98 48.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.44 1.087 . . . . 0.0 108.33 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.607 ' HB1' ' C6 ' ' B' ' 309' ' ' ' G' . . . -94.22 33.21 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.593 ' O ' ' C2 ' ' B' ' 306' ' ' ' U' . 5.1 t80 -131.81 -53.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.5 p -109.13 -13.21 14.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.94 23.97 0.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.6 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 26.2 mt-10 -86.43 124.42 32.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -77.42 115.07 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.17 -61.26 0.42 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.614 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 45.3 p-80 -104.94 169.87 8.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 109.63 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.426 ' CZ3' ' C4 ' ' B' ' 309' ' ' ' G' . 5.1 m95 -103.99 166.33 10.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.054 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.471 ' CB ' " H1'" ' B' ' 307' ' ' ' C' . . . -59.52 -36.76 76.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.26 -7.28 35.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.55 21.85 5.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.614 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 23.5 t -70.84 132.49 86.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.323 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.41 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.5 Cg_endo -74.99 0.93 8.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.401 1.737 . . . . 0.0 111.068 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HE2' ' C4 ' ' B' ' 306' ' ' ' U' . 1.8 mtpp -95.11 -20.68 19.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' NZ ' ' N3 ' ' B' ' 307' ' ' ' C' . 0.0 OUTLIER -42.23 102.88 0.28 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.213 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -72.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.539 1.81 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -178.18 100.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.75 -174.32 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.567 1.167 . . . . 0.0 110.974 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -64.48 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.992 -0.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER 71.56 157.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -153.3 104.96 0.27 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.442 1.089 . . . . 0.0 111.045 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 126.07 9.76 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -130.28 104.61 16.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 114.43 4.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.035 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -58.67 154.4 14.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.1 m -134.91 142.37 46.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t 56.98 95.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.06 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -105.42 174.16 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.358 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . 0.651 ' C5 ' ' N7 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.491 3.187 3 O4'-C4'-C3' 90.193 -10.934 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 277' ' ' ' G' . . . . . 0.651 ' N7 ' ' C5 ' ' B' ' 276' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 O4'-C4'-C3' 91.677 -9.873 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 O4'-C4'-C3' 93.726 -8.41 . 0.146 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 O4'-C4'-C3' 92.159 -9.529 . 0.556 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.15 8.389 . 0.052 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 281' ' ' ' U' . . . . . 0.449 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 O4'-C4'-C3' 93.21 -8.779 . 0.288 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 282' ' ' AP7 . . . . . 0.546 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . 0.546 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.869 2 C1'-O4'-C4' 117.219 8.465 . 0.424 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . 0.429 ' C2 ' ' N2 ' ' B' ' 298' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.842 2 C1'-O4'-C4' 117.285 8.539 . 0.346 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 285' ' ' ' A' . . . . . 0.781 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 117.026 8.251 . 0.142 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 286' ' ' ' G' . . . . . 0.599 ' C6 ' ' C4 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.038 2 O4'-C4'-C3' 92.838 -9.045 . 0.717 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 287' ' ' ' U' . . . . . 0.599 ' C4 ' ' C6 ' ' B' ' 286' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 O4'-C4'-C3' 92.453 -9.319 . 0.758 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 288' ' ' ' U' . . . . . 0.533 ' C4 ' ' C4 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 91.982 -9.656 . 0.822 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 289' ' ' ' G' . . . . . 0.514 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 91.787 -9.795 . 0.519 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 290' ' ' ' A' . . . . . 0.601 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.823 2 C1'-O4'-C4' 116.142 7.269 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 291' ' ' ' G' . . . . . 0.646 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 C1'-O4'-C4' 117.308 8.565 . 0.027 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 292' ' ' ' A' . . . . . 0.646 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 O4'-C4'-C3' 92.671 -9.164 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 293' ' ' ' A' . . . . . 0.547 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 117.265 8.516 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . 0.564 ' C6 ' ' C4 ' ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 94.103 -8.141 . 0.274 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 295' ' ' ' C' . . . . . 0.564 ' C4 ' ' C6 ' ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.012 2 O4'-C4'-C3' 92.939 -8.972 . 0.381 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 C1'-O4'-C4' 117.026 8.251 . 0.688 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 297' ' ' ' A' . . . . . 0.781 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 93.217 -8.774 . 0.513 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . 0.429 ' N2 ' ' C2 ' ' B' ' 284' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.927 3 O4'-C4'-C3' 92.667 -9.166 . 0.307 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 299' ' ' ' C' . . . . . 0.605 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.953 3 O4'-C4'-C3' 92.067 -9.595 . 0.259 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 300' ' ' ' U' . . . . . 0.605 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.677 2 C1'-O4'-C4' 117.396 8.662 . 0.342 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 301' ' ' ' C' . . . . . 0.782 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.922 3 O4'-C4'-C3' 92.469 -9.308 . 0.212 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 302' ' ' ' U' . . . . . 0.782 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 O4'-C4'-C3' 93.856 -8.317 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 303' ' ' ' G' . . . . . 0.581 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 O4'-C4'-C3' 91.471 -10.021 . 0.371 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 304' ' ' ' U' . . . . . 0.432 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.962 3 O4'-C4'-C3' 91.076 -10.303 . 0.409 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 305' ' ' ' A' . . . . . 0.432 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 117.157 8.397 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 306' ' ' ' U' . . . . . 0.593 ' C2 ' ' O ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 91.9 -9.714 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 307' ' ' ' C' . . . . . 0.49 ' OP2' ' CE2' ' A' ' 28' ' ' TYR . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 116.865 8.072 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 308' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.369 -9.379 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 309' ' ' ' G' . . . . . 0.607 ' C6 ' ' HB1' ' A' ' 27' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -1.998 3 O4'-C4'-C3' 91.554 -9.962 . 0.01 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 310' ' ' ' G' . . . . . 0.501 " C5'" " H2'" ' B' ' 309' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 O4'-C4'-C3' 92.443 -9.326 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.63 -9.193 . 0.281 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 312' ' ' ' G' . . . . . 0.574 ' N1 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.268 7.409 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 313' ' ' ' G' . . . . . 0.574 ' C5 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 116.957 8.174 . 0.22 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 314' ' ' ' A' . . . . . 0.642 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.754 7.949 . 0.606 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 315' ' ' ' C' . . . . . 0.642 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.299 -12.826 2 C1'-O4'-C4' 119.552 11.058 . 0.023 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 316' ' ' ' C' . . . . . 0.535 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 C1'-O4'-C4' 116.035 7.15 . 0.104 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 317' ' ' ' C' . . . . . 0.643 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.057 2 C1'-O4'-C4' 117.157 8.397 . 0.416 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 318' ' ' ' G' . . . . . 0.797 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 117.325 8.583 . 0.415 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 319' ' ' ' U' . . . . . 0.404 H5'' ' OP1' ' B' ' 320' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.494 3.429 2 O4'-C4'-C3' 92.516 -9.274 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 320' ' ' ' G' . . . . . 0.797 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.999 3 C1'-O4'-C4' 115.025 6.028 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 321' ' ' ' G' . . . . . 0.596 ' C2 ' ' O2 ' ' B' ' 345' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.975 3 O4'-C4'-C3' 92.403 -9.355 . 0.069 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 322' ' ' ' U' . . . . . 0.586 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 92.239 -9.472 . 0.282 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 323' ' ' ' G' . . . . . 0.422 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.478 2.067 3 O4'-C4'-C3' 92.837 -9.045 . 0.089 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 324' ' ' ' G' . . . . . 0.725 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.78 1 C1'-O4'-C4' 114.94 5.934 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 325' ' ' ' A' . . . . . 0.725 ' C6 ' ' C6 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.61 2 C1'-O4'-C4' 116.993 8.214 . 0.391 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 326' ' ' ' A' . . . . . 0.659 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.995 2 C1'-O4'-C4' 116.604 7.782 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 116.845 8.05 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 328' ' ' ' U' . . . . . 0.528 ' N3 ' ' C5 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.433 2 C1'-O4'-C4' 117.518 8.798 . 0.772 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 329' ' ' ' G' . . . . . 0.538 ' N1 ' ' N6 ' ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 O4'-C4'-C3' 90.211 -10.921 . 0.537 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 2 C1'-O4'-C4' 117.501 8.779 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 331' ' ' ' G' . . . . . 0.664 ' N1 ' ' C6 ' ' B' ' 332' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.38 -6.06 2 C1'-O4'-C4' 118.178 9.532 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B ' 332' ' ' ' A' . . . . . 0.664 ' C6 ' ' N1 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C5'-C4'-O4' 101.732 -5.334 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' B' B ' 333' ' ' ' A' . . . . . 0.538 ' N6 ' ' N1 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 C1'-O4'-C4' 116.948 8.165 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 334' ' ' ' G' . . . . . 0.523 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 C1'-O4'-C4' 116.516 7.684 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 335' ' ' ' U' . . . . . 0.636 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 C1'-O4'-C4' 117.363 8.626 . 0.38 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 336' ' ' ' U' . . . . . 0.636 ' C4 ' ' N3 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 117.176 8.418 . 0.557 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 337' ' ' ' C' . . . . . 0.676 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 117.305 8.561 . 0.163 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 338' ' ' ' G' . . . . . 0.688 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 O4'-C4'-C3' 90.373 -10.805 . 0.232 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 339' ' ' ' G' . . . . . 0.688 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.859 2 C1'-O4'-C4' 100.574 -10.029 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' B' B ' 340' ' ' ' A' . . . . . 0.552 ' N7 ' ' N3 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.477 2.038 3 O4'-C4'-C3' 92.539 -9.258 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 341' ' ' ' A' . . . . . 0.534 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -2.034 2 C1'-O4'-C4' 117.367 8.63 . 0.157 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 116.81 8.012 . 0.221 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 343' ' ' ' A' . . . . . 0.548 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 117.184 8.427 . 0.649 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 344' ' ' ' C' . . . . . 0.548 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.011 3 O4'-C4'-C3' 93.135 -8.832 . 0.428 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 345' ' ' ' C' . . . . . 0.596 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 94.023 -8.198 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 346' ' ' ' C' . . . . . 0.739 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 O4'-C4'-C3' 92.334 -9.405 . 0.068 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 347' ' ' ' G' . . . . . 0.493 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 O4'-C4'-C3' 93.706 -8.424 . 0.508 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 348' ' ' ' G' . . . . . 0.643 ' N2 ' ' C2 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 O4'-C4'-C3' 91.945 -9.682 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 349' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 90.737 -10.545 . 0.056 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 350' ' ' ' C' . . . . . 0.418 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 91.682 -9.87 . 0.585 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.87 2 C1'-O4'-C4' 117.251 8.501 . 0.399 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.023 2 O4'-C4'-C3' 92.402 -9.356 . 0.613 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 353' ' ' ' A' . . . . . 0.466 " H2'" ' C8 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 O4'-C4'-C3' 94.009 -8.208 . 0.216 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 354' ' ' ' A' . . . . . 0.495 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.965 3 O4'-C4'-C3' 93.839 -8.329 . 0.646 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 355' ' ' ' C' . . . . . 0.495 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 O4'-C4'-C3' 92.589 -9.222 . 0.57 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 356' ' ' ' C' . . . . . 0.54 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 O4'-C4'-C3' 93.969 -8.237 . 0.317 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 357' ' ' ' C' . . . . . 0.54 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 116.2 7.333 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 358' ' ' ' U' . . . . . 0.441 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 O4'-C4'-C3' 93.138 -8.83 . 0.37 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 359' ' ' ' G' . . . . . 0.408 ' C8 ' " H2'" ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 117.3 8.556 . 0.283 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 360' ' ' ' G' . . . . . 0.557 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 116.89 8.1 . 0.531 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 361' ' ' ' G' . . . . . 0.559 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.898 8.109 . 0.269 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 362' ' ' ' A' . . . . . 0.559 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 117.242 8.492 . 0.478 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 363' ' ' ' G' . . . . . 0.403 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.865 2 C1'-O4'-C4' 117.191 8.435 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 1 C1'-O4'-C4' 104.72 -5.422 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 1 C1'-O4'-C4' 105.367 -4.703 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 1 C1'-O4'-C4' 105.1 -5.0 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.584 7.76 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 368' ' ' ' C' . . . . . 0.462 ' C4 ' ' N4 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 94.001 -8.214 . 0.503 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 369' ' ' ' C' . . . . . 0.462 ' N4 ' ' C4 ' ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 117.107 8.341 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 370' ' ' ' C' . . . . . 0.564 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 93.325 -8.696 . 0.029 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 371' ' ' ' A' . . . . . 0.564 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.787 7.986 . 0.25 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 117.162 8.402 . 0.777 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 373' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 117.149 8.388 . 0.24 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 374' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 3 O4'-C4'-C3' 93.855 -8.318 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 91.844 -9.754 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 O4'-C4'-C3' 92.839 -9.044 . 0.455 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.1 p -129.36 -162.63 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.5 m -120.83 -39.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 69.0 t 61.87 116.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -105.11 152.43 22.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.039 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.69 -178.21 48.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -129.37 163.48 25.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 110.285 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.87 -173.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -134.78 162.87 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.29 169.38 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -126.24 -60.04 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -179.09 166.46 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.331 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.62 -142.2 5.47 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.578 1.174 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 154.72 165.57 14.15 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -159.41 -57.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 0.776 . . . . 0.0 110.21 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -58.4 -170.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 19' ' ' SER . 1.0 OUTLIER -44.23 168.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 1.081 ' O ' ' N ' ' A' ' 20' ' ' GLN . 11.7 mtt85 -69.4 58.59 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.518 ' O ' ' CG ' ' A' ' 20' ' ' GLN . 30.3 t 36.45 -61.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 1.081 ' N ' ' O ' ' A' ' 18' ' ' ARG . 2.2 mt-30 -179.56 53.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.493 HD12 ' CB ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -53.24 94.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 6.1 t0 -77.62 157.4 30.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.436 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 2.5 mmm180 -65.62 -5.91 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -126.93 26.93 6.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -114.17 -175.94 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 36' ' ' ALA . 41.8 t -113.91 137.93 51.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 108.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.569 ' HB1' ' C6 ' ' B' ' 309' ' ' ' G' . . . -99.12 26.4 5.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.618 ' CE1' ' HG3' ' A' ' 41' ' ' LYS . 2.2 t80 -127.54 -57.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 25.8 p -102.07 -24.17 13.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 3.3 mmtt 88.63 20.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.495 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 30.6 mt-10 -79.81 167.33 20.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.38 128.21 53.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.32 -45.7 1.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.679 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 19.2 p-80 -111.85 156.39 22.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 0.75 . . . . 0.0 109.547 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -93.77 167.23 11.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 108.005 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.539 ' CB ' ' O6 ' ' B' ' 309' ' ' ' G' . . . -56.69 -45.43 81.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HA ' ' CD ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -69.56 -4.55 19.57 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.65 5.17 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.679 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 15.5 t -60.41 134.66 91.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.293 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.496 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.07 0.84 8.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.558 1.82 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.618 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -125.55 25.28 7.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.357 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.402 ' CD ' ' HA ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -85.94 115.57 62.3 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 167.78 26.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' NE ' " O2'" ' B' ' 356' ' ' ' C' . 0.0 OUTLIER -114.47 99.43 7.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.86 174.61 46.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -171.08 8.88 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.021 -0.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -118.27 61.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.25 134.02 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.127 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 165.83 30.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.6 147.62 33.96 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 164.07 33.99 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.575 1.829 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -137.48 169.36 17.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -147.44 147.29 30.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.29 170.4 21.38 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.418 1.074 . . . . 0.0 110.032 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.1 tp -148.24 163.49 36.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.854 2 O4'-C4'-C3' 93.305 -8.711 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 277' ' ' ' G' . . . . . 0.582 ' N1 ' ' C2 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 91.938 -9.687 . 0.665 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 278' ' ' ' C' . . . . . 0.418 " H2'" ' C8 ' ' B' ' 279' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 C1'-O4'-C4' 117.058 8.287 . 0.728 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . 0.418 ' C8 ' " H2'" ' B' ' 278' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.761 7.957 . 0.575 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 280' ' ' ' G' . . . . . 0.579 ' C2 ' ' O2 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.883 2 C1'-O4'-C4' 116.984 8.204 . 0.181 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 281' ' ' ' U' . . . . . 0.457 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 O4'--C4' 1.43 -1.928 2 O4'-C4'-C3' 92.778 -9.087 . 0.307 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 282' ' ' AP7 . . . . . 0.538 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . 0.538 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 C1'-O4'-C4' 117.245 8.495 . 0.174 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 117.255 8.506 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 285' ' ' ' A' . . . . . 0.803 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 117.247 8.497 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 O4'-C4'-C3' 92.887 -9.01 . 0.438 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 287' ' ' ' U' . . . . . 0.479 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.035 2 O4'-C4'-C3' 92.183 -9.512 . 0.707 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 288' ' ' ' U' . . . . . 0.59 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.351 -9.392 . 0.517 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 289' ' ' ' G' . . . . . 0.59 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 O4'-C4'-C3' 93.919 -8.272 . 0.423 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 290' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 115.824 6.915 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 291' ' ' ' G' . . . . . 0.796 ' C5 ' ' C6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.807 8.008 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 292' ' ' ' A' . . . . . 0.796 ' C6 ' ' C5 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 117.081 8.312 . 0.302 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 293' ' ' ' A' . . . . . 0.423 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 117.128 8.365 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 117.221 8.467 . 0.739 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 295' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 94.004 -8.212 . 0.28 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 296' ' ' ' U' . . . . . 0.457 " H2'" ' C8 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 91.708 -9.851 . 0.423 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 297' ' ' ' A' . . . . . 0.803 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 O4'-C4'-C3' 92.949 -8.965 . 0.648 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . 0.519 ' C6 ' ' N6 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.88 3 O4'-C4'-C3' 91.961 -9.671 . 0.38 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 299' ' ' ' C' . . . . . 0.578 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.966 3 O4'-C4'-C3' 92.188 -9.508 . 0.441 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 300' ' ' ' U' . . . . . 0.627 " H2'" ' C6 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.977 2 C1'-O4'-C4' 117.517 8.797 . 0.592 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 301' ' ' ' C' . . . . . 0.81 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.952 3 O4'-C4'-C3' 92.821 -9.056 . 0.104 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 302' ' ' ' U' . . . . . 0.81 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 117.338 8.597 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 303' ' ' ' G' . . . . . 0.432 ' C8 ' " H2'" ' B' ' 302' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.389 2 O4'-C4'-C3' 93.932 -8.263 . 0.398 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 304' ' ' ' U' . . . . . 0.549 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.999 1 C1'-O4'-C4' 115.491 6.545 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 305' ' ' ' A' . . . . . 0.582 ' C2 ' ' N1 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.949 3 C1'-O4'-C4' 116.846 8.052 . 0.203 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 306' ' ' ' U' . . . . . 0.496 " H2'" ' CD1' ' A' ' 28' ' ' TYR . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 92.024 -9.626 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 307' ' ' ' C' . . . . . 0.412 " H1'" ' HB3' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.744 7.937 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 308' ' ' ' U' . . . . . 0.445 ' C2 ' H5'' ' B' ' 308' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.931 0 C3'-C2'-O2' 102.768 -3.632 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 309' ' ' ' G' . . . . . 0.569 ' C6 ' ' HB1' ' A' ' 27' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.827 8.03 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 310' ' ' ' G' . . . . . 0.571 ' C8 ' " H2'" ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 91.634 -9.904 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 O4'-C4'-C3' 92.626 -9.196 . 0.311 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 312' ' ' ' G' . . . . . 0.596 ' N1 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 116.179 7.31 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 313' ' ' ' G' . . . . . 0.596 ' C5 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.937 8.152 . 0.191 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 314' ' ' ' A' . . . . . 0.648 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.888 2 C1'-O4'-C4' 116.641 7.823 . 0.554 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 315' ' ' ' C' . . . . . 0.648 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.296 -13.121 2 C1'-O4'-C4' 119.603 11.115 . 0.01 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 1 C1'-O4'-C4' 115.691 6.768 . 0.096 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 317' ' ' ' C' . . . . . 0.644 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.855 2 C1'-O4'-C4' 117.032 8.257 . 0.413 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 318' ' ' ' G' . . . . . 0.795 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 C1'-O4'-C4' 117.331 8.59 . 0.623 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.493 3.339 2 O4'-C4'-C3' 92.211 -9.492 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 320' ' ' ' G' . . . . . 0.795 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.992 3 C1'-O4'-C4' 114.955 5.95 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 321' ' ' ' G' . . . . . 0.672 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.992 3 O4'-C4'-C3' 92.344 -9.397 . 0.034 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 322' ' ' ' U' . . . . . 0.672 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.889 3 O4'-C4'-C3' 91.011 -10.35 . 0.287 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 323' ' ' ' G' . . . . . 0.412 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.012 2 O4'-C4'-C3' 93.543 -8.541 . 0.409 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 324' ' ' ' G' . . . . . 0.674 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.998 0 C3'-C2'-O2' 102.688 -3.659 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 325' ' ' ' A' . . . . . 0.674 ' C6 ' ' C6 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.59 2 C1'-O4'-C4' 116.974 8.193 . 0.134 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 326' ' ' ' A' . . . . . 0.589 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.852 2 C1'-O4'-C4' 116.712 7.902 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 327' ' ' ' C' . . . . . 0.41 ' C4 ' ' C6 ' ' B' ' 326' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.808 8.009 . 0.559 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 328' ' ' ' U' . . . . . 0.464 ' C4 ' ' N7 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 116.816 8.018 . 0.695 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 329' ' ' ' G' . . . . . 0.553 ' C6 ' ' N6 ' ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.036 2 O4'-C4'-C3' 91.814 -9.775 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 330' ' ' ' U' . . . . . 0.535 ' C5 ' ' C4 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.856 2 C1'-O4'-C4' 116.663 7.848 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 331' ' ' ' G' . . . . . 0.655 ' N2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.086 2 C1'-O4'-C4' 117.296 8.551 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 332' ' ' ' A' . . . . . 0.655 ' C2 ' ' N2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.066 2 C1'-O4'-C4' 116.809 8.01 . 0.176 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 333' ' ' ' A' . . . . . 0.553 ' N6 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 116.411 7.568 . 0.165 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 334' ' ' ' G' . . . . . 0.48 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 116.459 7.621 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 335' ' ' ' U' . . . . . 0.659 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.313 8.57 . 0.373 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 336' ' ' ' U' . . . . . 0.659 ' C4 ' ' N3 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.861 2 C1'-O4'-C4' 117.567 8.852 . 0.53 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 337' ' ' ' C' . . . . . 0.695 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 117.059 8.288 . 0.063 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 338' ' ' ' G' . . . . . 0.695 ' N7 ' ' C4 ' ' B' ' 337' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 90.579 -10.658 . 0.333 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 339' ' ' ' G' . . . . . 0.64 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.877 2 C1'-O4'-C4' 100.403 -10.219 OUTLIER-EPSILON 0.015 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 340' ' ' ' A' . . . . . 0.569 ' N7 ' ' N3 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.482 2.39 2 O4'-C4'-C3' 92.935 -8.975 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 341' ' ' ' A' . . . . . 0.552 ' C6 ' ' N6 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.457 2 C1'-O4'-C4' 117.533 8.815 . 0.12 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.5 7.666 . 0.158 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 343' ' ' ' A' . . . . . 0.646 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 117.113 8.348 . 0.723 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 344' ' ' ' C' . . . . . 0.646 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 O4'-C4'-C3' 94.095 -8.146 . 0.647 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 345' ' ' ' C' . . . . . 0.601 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 93.4 -8.643 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 346' ' ' ' C' . . . . . 0.663 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 91.269 -10.165 . 0.709 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 347' ' ' ' G' . . . . . 0.496 ' C8 ' " H2'" ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.854 3 O4'-C4'-C3' 93.623 -8.484 . 0.23 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 348' ' ' ' G' . . . . . 0.644 ' N2 ' ' C2 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 91.703 -9.855 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 349' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 3 O4'-C4'-C3' 91.102 -10.284 . 0.062 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 350' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 3 O4'-C4'-C3' 91.619 -9.915 . 0.416 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 117.09 8.322 . 0.361 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 352' ' ' ' C' . . . . . 0.451 ' N4 ' ' O4 ' ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.866 3 O4'-C4'-C3' 91.846 -9.753 . 0.528 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 117.027 8.252 . 0.213 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 354' ' ' ' A' . . . . . 0.503 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 C1'-O4'-C4' 117.177 8.418 . 0.636 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 355' ' ' ' C' . . . . . 0.503 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 92.418 -9.344 . 0.578 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 356' ' ' ' C' . . . . . 0.521 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.039 2 O4'-C4'-C3' 93.359 -8.672 . 0.268 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 357' ' ' ' C' . . . . . 0.521 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 C1'-O4'-C4' 116.112 7.236 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 358' ' ' ' U' . . . . . 0.449 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 93.286 -8.724 . 0.26 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 359' ' ' ' G' . . . . . 0.564 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 93.392 -8.648 . 0.466 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 360' ' ' ' G' . . . . . 0.568 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 93.378 -8.659 . 0.214 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 361' ' ' ' G' . . . . . 0.568 ' C8 ' " H2'" ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 116.881 8.09 . 0.253 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 362' ' ' ' A' . . . . . 0.564 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.814 2 C1'-O4'-C4' 116.971 8.19 . 0.059 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 363' ' ' ' G' . . . . . 0.494 " H1'" ' C2 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.331 2 C1'-O4'-C4' 117.096 8.329 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 115.975 7.084 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 1 C1'-O4'-C4' 105.119 -4.978 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 0 C3'-C2'-O2' 102.704 -3.654 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 116.921 8.134 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 368' ' ' ' C' . . . . . 0.44 " H2'" ' C6 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 93.481 -8.585 . 0.535 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 369' ' ' ' C' . . . . . 0.44 ' C6 ' " H2'" ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 117.07 8.3 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 92.747 -9.109 . 0.213 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.895 8.106 . 0.168 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.905 3 O4'-C4'-C3' 93.743 -8.398 . 0.61 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 373' ' ' ' G' . . . . . 0.4 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 117.276 8.528 . 0.588 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 374' ' ' ' G' . . . . . 0.471 ' C6 ' ' C4 ' ' B' ' 375' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.888 3 O4'-C4'-C3' 93.876 -8.303 . 0.626 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 375' ' ' ' U' . . . . . 0.471 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.881 3 O4'-C4'-C3' 92.038 -9.616 . 0.399 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 376' ' ' ' U' . . . . . 0.571 " H2'" ' C8 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.909 3 O4'-C4'-C3' 92.57 -9.236 . 0.68 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.4 129.07 56.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.49 149.59 34.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.74 95.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.33 171.52 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.51 89.65 1.05 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.07 65.14 0.51 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 110.276 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.492 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -3.9 9.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -134.38 29.18 3.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.492 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -120.6 168.27 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 53.7 t -103.72 132.59 49.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 108.329 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.77 31.7 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.452 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 15.9 t80 -132.59 -58.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 27.2 p -102.23 -11.39 18.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 73.62 23.55 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.563 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 51.7 mt-10 -89.02 141.0 28.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.19 127.01 40.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.89 -47.79 0.85 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.599 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 51.2 p-80 -115.58 176.56 5.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.787 . . . . 0.0 109.614 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -108.88 165.38 11.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 107.964 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.7 -39.68 81.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm -71.06 -2.72 16.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -130.2 20.07 5.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.599 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 21.7 t -67.7 132.61 92.58 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 108.285 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD3' ' NE2' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.0 1.01 8.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.506 1.792 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.37 147.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.418 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . -60.15 170.94 6.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.418 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -74.96 -174.36 13.95 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.013 0.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.94 162.94 27.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.3 -105.57 0.34 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 175.22 11.54 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.26 129.2 12.13 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.88 23.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -178.97 128.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.2 p -126.75 169.32 13.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.46 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -142.49 157.65 44.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.3 161.46 40.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.43 -52.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.354 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 62.66 164.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.41 -135.86 8.36 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.439 1.087 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.8 175.49 43.91 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 110.26 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -10.57 29.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -126.27 29.57 5.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.234 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 22.8 mt-30 -119.46 177.88 4.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 47.8 t -99.2 132.74 44.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 108.286 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.25 21.79 5.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 11.7 t80 -123.26 -60.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 26.5 p -100.81 -23.78 14.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.656 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER 100.78 -25.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.673 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -39.12 139.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 48.0 tttt -95.66 134.32 38.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.362 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.49 -50.54 0.89 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.433 1.083 . . . . 0.0 110.973 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.501 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 20.0 p-80 -112.43 155.89 23.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 109.629 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -95.17 167.15 11.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 108.021 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.403 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -59.29 -35.71 74.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -8.4 33.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.56 27.54 4.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.501 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 25.5 t -77.41 133.07 68.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.292 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.4 Cg_endo -75.08 1.17 8.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.435 1.755 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.362 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -148.56 129.38 14.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -121.0 177.99 16.38 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.9 -50.38 0.19 OUTLIER 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.042 -2.483 . . . . 0.0 111.055 -0.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 43.61 85.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.379 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.42 82.07 0.22 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 175.45 11.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.544 1.813 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.48 132.32 0.34 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 168.55 24.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.568 1.825 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -158.61 162.6 37.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.6 t -143.37 158.43 43.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 110.441 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.399 1.062 . . . . 0.0 110.029 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -109.93 155.85 21.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -60.46 131.52 51.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.95 171.71 13.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -134.2 80.7 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.259 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.86 147.56 16.28 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.44 1.087 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.89 -124.96 3.07 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -6.69 19.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.53 25.44 4.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 38.8 tt0 -116.86 133.8 55.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 49.3 t -60.31 131.09 49.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 108.288 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.19 25.43 6.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.591 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 9.8 t80 -122.82 -64.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 27.9 p -94.58 -9.89 33.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.295 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 74.82 23.03 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.606 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 50.7 mt-10 -90.23 115.45 27.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.77 127.85 33.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.269 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 138.82 -55.38 0.67 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.432 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 23.4 p-80 -108.9 160.4 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.67 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -92.11 158.76 16.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.009 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 39' ' ' CYS . . . -59.8 -33.59 71.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -66.78 -10.3 46.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -129.64 25.79 5.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.371 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.472 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 35.9 t -71.88 134.15 83.73 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 108.229 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.0 Cg_endo -75.07 2.27 6.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.591 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 1.4 ttmt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.14 89.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.504 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . -131.55 157.69 22.45 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.504 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.05 -33.66 3.91 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.953 -2.52 . . . . 0.0 111.04 0.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -171.67 122.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.579 1.174 . . . . 0.0 110.358 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -117.28 94.72 0.63 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 147.76 34.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.54 1.81 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.84 114.71 58.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -179.99 5.54 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.479 1.779 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -163.93 160.6 22.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 110.341 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 53' ' ' THR . 9.8 t -155.67 58.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.443 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 73.51 96.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 31.0 t70 -177.68 136.39 0.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.446 ' CG ' ' O ' ' A' ' 10' ' ' ASP . 18.3 mtt180 -164.77 159.46 18.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.185 . . . . 0.0 110.301 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -163.86 142.54 7.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.33 -160.76 21.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.85 112.27 3.48 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.29 -179.919 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -12.21 18.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.73 29.78 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -116.43 176.93 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 39.1 t -104.96 132.99 50.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 108.263 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.26 20.53 5.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.384 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.629 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 2.6 t80 -124.58 -62.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.064 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.619 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 30.7 p -100.17 -20.36 16.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.332 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.619 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 1.2 mmtt 97.4 -27.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 0.0 109.239 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.527 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 47.0 mt-10 -34.46 150.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.01 138.49 44.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.77 -45.58 1.17 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -114.02 161.47 17.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 0.744 . . . . 0.0 109.61 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -100.07 165.11 11.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.434 ' HA ' ' HB2' ' A' ' 39' ' ' CYS . . . -58.74 -37.48 76.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -65.25 -11.05 37.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -131.59 30.96 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 36' ' ' ALA . 49.8 t -80.8 131.67 59.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.282 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 3.01 5.97 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.818 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.629 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 2.9 ttmt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.933 0 N-CA-C 111.076 -0.394 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -104.21 145.43 30.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 110.303 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.79 175.93 14.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 133.19 30.28 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.985 -0.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -77.92 143.94 37.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.41 147.9 19.48 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 78.41 2.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -147.06 105.87 3.88 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.24 7.54 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.559 1.82 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -107.8 70.51 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.7 p -114.63 127.78 55.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.421 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -172.16 -44.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -178.0 -178.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.077 . . . . 0.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -125.2 -55.62 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -149.13 140.61 23.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.43 -139.55 7.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.53 120.28 0.97 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.43 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -65.31 -9.49 24.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.3 29.82 4.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.446 ' HG3' ' CB ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -114.13 179.15 4.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.9 t -104.55 135.35 46.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.307 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.15 22.71 9.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -123.96 -63.73 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 28.1 p -96.31 -10.23 28.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 108.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 83.47 -18.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.607 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 48.1 mt-10 -47.8 140.67 6.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.241 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.446 ' CB ' ' HG3' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -99.35 137.71 37.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.23 -45.41 1.14 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 39.3 p-80 -116.79 167.96 10.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.578 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -99.84 166.03 11.28 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.49 -45.97 80.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -9.21 25.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.415 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -119.1 16.37 13.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 18.0 t -69.92 131.54 89.14 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 108.353 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 0.79 8.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 1.6 mttt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.454 -0.849 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.59 161.49 23.88 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.467 1.104 . . . . 0.0 110.25 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.74 175.74 18.22 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.521 1.138 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -170.9 8.7 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.971 0.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.99 165.99 30.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.227 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.75 103.07 1.67 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.66 17.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.6 ptt-85 -111.62 142.19 26.1 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' THR . 18.2 Cg_endo -75.0 130.88 13.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.376 1.724 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -65.42 74.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' PRO . 5.1 m -58.91 106.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.932 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -74.31 106.69 6.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.05 104.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.24 117.46 4.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 73.62 10.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.4 177.98 35.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.24 84.31 0.33 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 110.344 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -4.94 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -132.99 24.11 4.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.52 1.137 . . . . 0.0 109.362 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.427 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 14.1 tt0 -117.83 138.63 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.47 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 44.9 t -62.19 132.87 54.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 108.308 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.26 28.29 3.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.609 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 33.3 t80 -128.66 -62.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 27.5 p -95.94 -14.01 23.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 108.265 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.1 23.37 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.563 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 47.3 mt-10 -87.1 117.05 25.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 0.6 OUTLIER -74.42 119.93 19.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.41 -59.29 0.5 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.072 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 31.0 p-80 -104.34 159.31 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.744 . . . . 0.0 109.599 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -93.11 163.19 13.73 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.62 -36.24 75.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -7.25 22.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.92 27.61 4.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 38.0 t -74.13 131.2 81.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 108.217 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 1.21 8.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.609 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.356 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.967 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 58.84 111.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.404 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . 173.28 170.43 36.86 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.404 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -75.04 161.18 95.34 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.015 0.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 136.03 29.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.98 173.84 50.06 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 59.05 5.09 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.443 1.759 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.6 85.24 0.19 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.233 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 79.48 2.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -160.88 64.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.235 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.6 p 43.03 77.24 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.396 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.9 t . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mttt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -178.89 153.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.76 154.16 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER 177.74 165.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.491 ' O ' ' CZ ' ' A' ' 11' ' ' ARG . 10.2 mt-30 -150.74 161.49 42.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.25 -176.04 46.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.75 -169.61 11.69 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.75 . . . . 0.0 110.337 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.498 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -70.15 0.44 6.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.581 1.176 . . . . 0.0 110.243 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -135.42 22.67 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.498 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -121.15 141.1 51.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 47.2 t -72.86 132.38 43.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 108.236 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.41 27.1 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.469 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 17.4 t80 -127.19 -54.91 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 111.048 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 27.4 p -104.24 -21.74 13.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 8.9 mmtt 84.71 24.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.479 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 41.9 mt-10 -88.79 120.84 30.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 118.14 20.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 146.76 -58.58 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.563 1.164 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.43 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 30.6 p-80 -103.35 167.02 10.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.787 . . . . 0.0 109.537 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -102.27 159.19 15.62 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.43 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -58.93 -33.02 70.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -9.27 24.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.89 31.16 3.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 37.2 t -72.67 134.02 82.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 108.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.463 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.05 2.98 6.05 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.442 1.759 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.42 86.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' PRO . . . 52.69 171.71 0.03 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.581 1.176 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.411 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -74.99 135.88 42.61 Favored 'Cis proline' 0 C--N 1.359 1.103 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.987 0.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -126.15 103.83 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.32 -178.86 30.02 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.143 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 129.9 12.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.34 94.99 0.52 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.2 36.22 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 176.75 76.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -169.88 116.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.376 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.007 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -142.97 151.37 40.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -123.9 124.33 42.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.251 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -115.35 150.59 36.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.14 83.39 1.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.83 152.5 20.75 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.6 141.13 12.3 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 110.279 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.409 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -64.28 -9.86 20.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.15 30.47 5.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.409 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -118.79 176.25 5.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 48.8 t -111.13 131.03 55.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 108.289 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.69 23.66 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 8.0 t80 -123.48 -64.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.808 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 26.3 p -97.01 -14.01 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 89.29 -21.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.808 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -47.19 154.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -110.94 142.68 42.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.64 -43.78 1.31 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.12 . . . . 0.0 110.978 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 29.0 p-80 -117.85 172.94 7.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.767 . . . . 0.0 109.594 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -106.03 162.82 13.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 108.012 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.24 -40.19 81.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -9.36 47.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.96 17.3 8.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.553 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 34.0 t -67.77 133.7 92.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.361 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.456 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.01 1.33 7.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.538 1.81 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.231 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.94 120.75 21.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.58 178.72 34.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.59 1.181 . . . . 0.0 111.031 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 158.14 99.19 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.972 -0.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -173.81 111.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.71 89.25 2.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 148.38 34.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.449 1.762 . . . . 0.0 110.951 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -93.45 120.32 66.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.255 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 170.15 21.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -75.61 162.42 28.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 53' ' ' THR . 9.2 t -150.58 69.06 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.394 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.7 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.002 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -176.43 151.85 1.02 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -65.2 161.66 18.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.03 154.19 35.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.5 pm0 -85.55 162.09 19.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.04 -123.98 2.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.24 61.45 0.85 Allowed Glycine 0 CA--C 1.531 1.069 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.803 . . . . 0.0 110.306 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.472 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -8.37 19.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -129.43 27.25 5.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.472 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 2.0 tt0 -119.67 130.82 55.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.215 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 41.8 t -63.24 138.22 58.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 108.314 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.9 25.34 6.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.594 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 1.9 t80 -125.6 -65.28 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.566 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 28.2 p -94.93 -15.28 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 108.261 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 78.69 22.98 0.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.566 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 47.7 mt-10 -89.01 122.78 32.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.333 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -78.61 127.35 32.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.77 -54.12 0.67 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.592 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 31.6 p-80 -108.41 162.05 14.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.644 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -94.8 163.71 13.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.25 78.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.247 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -68.58 -7.12 29.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -128.36 24.12 5.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.173 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.592 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 39.1 t -73.67 130.72 83.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 1.44 7.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.441 1.758 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.594 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 3.2 ttmt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.956 -0.44 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 173.4 53.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.16 176.6 0.85 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.524 1.14 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -58.27 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.99 -0.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.6 tpt85 64.05 120.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.2 152.53 0.39 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -178.55 4.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.47 151.13 95.66 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.324 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -172.4 1.25 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.535 1.808 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.01 158.73 16.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.7 p -61.41 171.81 1.33 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -169.87 86.03 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 175.72 157.43 0.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.392 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -135.78 129.84 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -124.34 136.8 54.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.5 -118.59 0.71 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.29 -109.31 0.91 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -7.29 22.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -126.55 21.54 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.479 ' CG ' ' HG3' ' A' ' 32' ' ' LYS . 8.9 mt-30 -110.61 172.72 6.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.361 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 41.7 t -104.17 129.58 51.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.346 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.51 32.79 1.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.469 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 7.6 t80 -131.11 -62.73 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.656 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 24.6 p -100.71 -10.09 21.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.347 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.15 21.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.656 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -72.91 -179.77 3.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HG3' ' CG ' ' A' ' 25' ' ' GLN . 1.9 mttt -132.71 119.17 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.07 -51.98 0.84 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 22.2 p-80 -104.93 158.79 16.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 0.732 . . . . 0.0 109.595 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -97.85 165.56 11.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.92 -35.52 73.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -7.29 38.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -128.25 17.03 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.369 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.574 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 19.1 t -66.86 133.41 93.97 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.422 1.076 . . . . 0.0 108.33 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.14 1.58 7.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' CE ' ' HB3' ' A' ' 29' ' ' CYS . 1.5 mtpt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' LYS . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 43.82 88.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -54.19 -176.73 0.11 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.582 1.176 . . . . 0.0 110.976 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 148.31 91.35 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.956 -2.518 . . . . 0.0 111.019 0.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.78 137.02 0.24 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 151.83 84.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.405 1.066 . . . . 0.0 111.07 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.84 4.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -126.09 96.95 35.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 172.66 15.93 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.43 75.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.8 p -73.31 84.2 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -111.53 82.3 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.244 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.88 130.77 44.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.9 139.62 25.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -166.66 161.84 16.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.326 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.65 -151.89 21.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.453 1.095 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.19 162.88 36.36 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.577 ' OE1' HG21 ' A' ' 53' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 110.351 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -68.17 -4.27 13.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.06 26.01 5.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -114.96 175.23 5.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.229 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.478 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 50.4 t -101.66 131.09 48.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 108.28 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.54 26.15 2.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.478 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 4.7 t80 -126.21 -61.03 1.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 23.7 p -97.93 -29.27 13.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 108.325 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 93.55 25.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.415 1.072 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.58 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -89.43 142.09 27.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -92.1 124.79 36.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.02 -50.91 0.81 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 31.1 p-80 -114.08 160.51 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.565 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -100.93 167.48 10.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -59.12 -35.56 73.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 109.373 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -66.57 -8.72 28.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.243 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.56 29.54 3.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.556 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 30.2 t -75.8 133.18 73.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.433 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.01 1.41 7.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.457 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' LYS . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.98 174.02 15.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -176.59 175.37 47.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.9 94.59 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.961 0.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.01 141.13 50.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.51 129.08 16.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 105.17 2.03 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 134.36 22.7 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.423 ' CB ' ' HG3' ' A' ' 15' ' ' GLU . 18.1 Cg_endo -75.07 162.61 36.68 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.439 1.757 . . . . 0.0 110.949 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -152.01 88.59 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.577 HG21 ' OE1' ' A' ' 15' ' ' GLU . 2.7 t -142.59 128.36 19.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.177 . . . . 0.0 109.965 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 tptp . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.436 ' OE1' ' NH1' ' A' ' 11' ' ' ARG . 37.7 mm-40 -140.26 170.33 16.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -165.9 124.19 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.436 ' NH1' ' OE1' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -176.73 139.41 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -123.68 -48.57 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 110.326 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.52 -164.02 29.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' GLU . . . 123.55 177.26 15.03 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.3 pm0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.481 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -70.38 1.35 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.96 21.51 3.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -117.03 141.17 48.59 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.485 1.115 . . . . 0.0 110.354 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 48.6 t -70.96 130.56 41.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.276 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.54 29.27 2.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.407 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 33.6 t80 -129.33 -60.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.525 ' SG ' ' CG ' ' A' ' 31' ' ' GLU . 28.1 p -96.82 -15.96 21.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.7 25.4 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.252 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.525 ' CG ' ' SG ' ' A' ' 29' ' ' CYS . 47.2 mt-10 -93.26 122.61 35.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.361 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -79.43 125.75 29.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 142.6 -48.11 0.79 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.157 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 47.0 p-80 -116.55 171.07 8.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.576 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -104.14 165.5 11.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 108.002 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.64 -38.55 78.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -6.83 30.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -128.11 22.98 6.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.575 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 22.7 t -70.93 132.45 86.71 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 108.245 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD3' ' NE2' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.07 0.72 8.59 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.524 1.802 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.435 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 1.3 mttt . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 110.964 -0.437 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 179.48 80.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 110.34 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.3 -176.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.88 0.51 Allowed 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.949 0.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 178.48 152.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.21 88.28 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 153.19 41.26 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.48 1.779 . . . . 0.0 111.064 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.419 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 1.7 ptt180 -177.51 63.85 0.19 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 50' ' ' ARG . 18.1 Cg_endo -75.0 156.99 43.04 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -174.68 109.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.6 t -162.88 137.86 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.347 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.08 98.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.262 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 t70 177.23 144.81 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 12' ' ' GLN . 1.8 tpm_? -176.87 -69.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.235 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' ARG . 6.5 mt-30 54.41 168.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.082 . . . . 0.0 110.321 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 14' ' ' GLY . . . 156.85 151.97 6.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 13' ' ' GLY . . . 55.87 162.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.594 0.82 . . . . 0.0 110.237 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.9 t0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -7.04 21.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 110.385 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.6 25.22 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.372 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 13.9 mt-30 -113.66 179.64 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 46.3 t -101.57 134.98 43.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 108.341 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.34 23.24 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.411 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 5.5 t80 -124.35 -63.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.718 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.1 p -96.29 -19.52 19.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 108.325 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.565 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER 93.64 -19.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.718 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.7 OUTLIER -46.7 142.2 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -97.61 135.86 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.26 -47.63 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.545 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 33.1 p-80 -116.52 164.44 14.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.556 0.798 . . . . 0.0 109.633 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -101.06 166.15 10.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.589 1.181 . . . . 0.0 107.98 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.47 -35.35 73.92 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -68.66 -7.52 34.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.29 23.85 4.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.427 1.079 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 23.1 t -72.67 133.22 82.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 108.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.03 1.05 8.19 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -139.56 145.05 38.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.52 -178.08 15.31 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.54 1.15 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.17 60.21 Favored 'Cis proline' 0 C--N 1.359 1.085 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.028 -0.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -152.06 105.03 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -149.68 122.71 1.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.19 33.78 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.562 1.822 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -149.11 117.18 3.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.402 1.064 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 179.92 5.63 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -110.18 -61.89 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.8 m 59.08 156.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.7 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.964 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? 177.25 155.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.237 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.47 128.4 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.17 125.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -176.2 153.03 1.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.0 122.47 1.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.38 134.15 2.51 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 110.272 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.491 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -7.9 10.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.96 18.48 10.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.491 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -113.8 174.2 6.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.517 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 49.2 t -101.02 129.14 46.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 108.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.16 30.87 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.624 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 14.3 t80 -129.76 -58.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.4 p -103.91 -12.73 16.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 52.3 mmtt 79.22 21.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.66 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -73.66 172.39 11.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.66 116.2 20.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.6 -54.02 0.77 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.463 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 17.4 p-80 -102.04 157.95 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.561 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 3.6 m0 -98.89 160.94 13.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 108.047 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.451 ' HA ' ' HB2' ' A' ' 39' ' ' CYS . . . -58.64 -32.89 69.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -64.91 -9.84 24.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.69 32.69 2.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.466 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 34.4 t -73.41 133.99 80.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 108.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.5 Cg_endo -74.89 2.21 6.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.624 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 179.56 60.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.424 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . 53.37 169.75 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.424 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -74.98 -169.34 7.26 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.995 0.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.05 116.91 26.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.79 106.7 0.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.87 15.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.5 99.89 1.71 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 173.56 14.31 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -139.27 164.93 28.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.0 m -100.25 149.54 23.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.927 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -155.93 159.36 39.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -123.85 -175.26 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.222 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.91 112.56 3.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.88 -160.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.64 138.09 6.34 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.13 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.15 -156.35 14.23 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.568 0.805 . . . . 0.0 110.316 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.434 ' CG ' ' NE2' ' A' ' 25' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -69.43 -3.93 16.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' OE1' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -127.66 23.37 6.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.434 ' NE2' ' CG ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -111.7 174.89 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 43.1 t -109.76 135.44 50.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 108.261 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.48 32.15 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -134.24 -58.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.994 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.0 p -101.58 -17.72 16.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 108.318 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.604 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 18.3 mmtt 79.16 25.98 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.669 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.5 mt-10 -84.55 177.56 8.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -127.91 128.48 45.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.09 -45.22 1.15 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.654 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 37.8 p-80 -114.21 164.78 13.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.598 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -101.16 169.05 9.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 108.023 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.35 -41.07 83.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -71.99 -1.93 16.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.24 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.19 16.15 7.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.654 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 22.1 t -68.11 132.51 91.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 108.233 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.0 0.46 8.88 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.536 1.808 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.462 ' CE ' ' HB3' ' A' ' 29' ' ' CYS . 1.4 mtpt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.033 -0.41 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 136.39 39.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.76 -174.1 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 124.66 10.35 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.011 -2.495 . . . . 0.0 110.942 0.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.49 154.67 51.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.229 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.56 105.91 0.23 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 65.44 6.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 118.31 43.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 110.24 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 143.33 28.99 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.565 1.824 . . . . 0.0 110.986 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -113.5 146.72 39.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 t -167.32 159.55 12.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.376 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.98 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -172.86 155.79 3.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.79 149.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.251 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.66 132.04 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.83 155.44 19.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.241 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.64 140.86 4.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.57 1.169 . . . . 0.0 111.054 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.54 53.84 0.62 Allowed Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 110.289 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 21.3 tpp180 -66.87 -5.7 13.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -127.45 27.03 5.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.444 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -120.76 171.81 8.33 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 42.3 t -100.8 132.43 46.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.09 26.82 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.431 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 32.8 t80 -129.87 -56.97 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 29.0 p -105.55 -16.23 14.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 108.347 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 4.3 mmtt 91.26 -23.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.544 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 45.0 mt-10 -40.58 143.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 136.67 39.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 128.84 -48.52 0.97 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 32.0 p-80 -113.09 169.84 8.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.645 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -106.82 165.36 11.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.135 . . . . 0.0 107.987 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.93 -36.88 75.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -69.77 -5.35 24.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.02 20.29 4.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.556 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 21.2 t -67.91 132.92 92.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.332 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.4 Cg_endo -75.07 0.97 8.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 1.1 mtpt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -173.26 59.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.52 -177.41 30.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.601 1.188 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -60.07 0.09 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.943 -2.524 . . . . 0.0 111.02 0.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 177.84 161.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.355 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.12 79.58 0.04 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 171.14 18.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -138.67 81.74 22.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 127.76 10.94 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.76 155.23 29.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.4 m -145.95 120.88 9.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 110.444 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.184 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.0 mttm . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -87.76 152.45 22.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -161.36 162.0 30.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.55 106.5 3.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.454 1.096 . . . . 0.0 110.34 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 177.99 128.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.58 171.4 31.91 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.68 154.98 26.18 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 110.255 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -65.84 -9.41 28.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -123.15 27.36 7.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.9 mt-30 -119.0 170.84 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 37.9 t -98.33 134.11 41.8 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.471 1.107 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.3 21.49 6.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.595 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 22.7 t80 -125.32 -63.85 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 111.037 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.749 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 28.4 p -96.49 -20.63 18.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 108.324 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.4 OUTLIER 95.73 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.749 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -41.35 143.18 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -101.16 142.36 32.71 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.202 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.39 -46.74 1.06 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 16.8 p-80 -113.96 155.85 25.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -90.49 165.96 13.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 108.05 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.56 -39.97 81.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -6.29 32.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.12 19.22 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.574 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 35.5 t -72.32 130.61 85.88 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 108.293 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 0.57 8.69 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.595 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 1.5 ttmt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -137.3 135.52 37.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.343 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.424 ' HA2' ' N ' ' A' ' 47' ' ' ARG . . . -70.61 -175.85 19.67 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 119.24 5.84 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.023 -0.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.424 ' N ' ' HA2' ' A' ' 45' ' ' GLY . 1.6 tpm_? -150.22 88.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.08 113.96 3.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.437 1.086 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.65 34.14 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.477 1.777 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.58 88.17 0.12 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -45.62 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.416 1.746 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 176.38 136.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.8 m -108.56 -72.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.374 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.8 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.168 . . . . 0.0 110.056 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.62 100.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -150.48 165.52 32.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.29 159.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -107.89 168.8 9.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.03 167.16 39.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.77 122.13 2.57 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.319 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.4 -5.37 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.213 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.81 29.06 4.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.416 1.072 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -119.2 -177.85 3.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 49.7 t -110.75 134.16 52.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 108.296 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.15 27.02 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.438 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 16.4 t80 -127.52 -63.54 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.697 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 24.3 p -93.18 -14.64 26.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.314 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 40.6 mmtt 75.43 26.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.697 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 2.4 mt-10 -83.57 -177.54 6.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.24 125.25 28.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.64 -45.71 1.1 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.557 1.161 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.611 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 42.8 p-80 -114.12 169.14 9.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.585 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -106.16 166.64 10.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 108.053 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.439 ' HB3' ' HE3' ' A' ' 37' ' ' LYS . . . -58.5 -38.82 78.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HE3' ' HB3' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -69.16 -4.95 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -131.62 24.18 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.611 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 29.4 t -71.1 132.9 86.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.02 1.08 8.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.768 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.473 ' CE ' ' HB3' ' A' ' 29' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' LYS . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.939 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -136.91 147.53 46.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.05 -179.1 19.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 165.42 85.95 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.904 0.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.43 51.97 0.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.33 93.28 0.1 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.41 1.068 . . . . 0.0 111.011 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 166.33 29.37 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.518 1.799 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.88 129.24 24.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 155.98 43.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -166.12 126.69 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.1 t -134.9 133.22 39.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.358 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.983 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 pttt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 10' ' ' ASP . 14.8 pt20 -155.27 131.34 10.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 9' ' ' GLN . 35.8 m-20 60.79 145.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 134.1 54.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -55.54 141.28 37.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.12 -107.4 1.19 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.08 160.65 21.64 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -10.12 21.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.9 31.24 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -121.2 132.32 54.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 41.7 t -64.34 131.98 48.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.44 1.087 . . . . 0.0 108.33 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.22 33.21 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.485 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 5.1 t80 -131.81 -53.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.601 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.5 p -109.13 -13.21 14.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.94 23.97 0.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.601 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 26.2 mt-10 -86.43 124.42 32.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -77.42 115.07 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.17 -61.26 0.42 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.59 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 45.3 p-80 -104.94 169.87 8.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 109.63 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -103.99 166.33 10.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.054 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.52 -36.76 76.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.26 -7.28 35.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.55 21.85 5.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.59 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 23.5 t -70.84 132.49 86.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.323 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.411 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.5 Cg_endo -74.99 0.93 8.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.401 1.737 . . . . 0.0 111.068 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.472 ' CD ' ' HB3' ' A' ' 29' ' ' CYS . 1.8 mtpp . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -178.18 100.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.75 -174.32 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.567 1.167 . . . . 0.0 110.974 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -64.48 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.992 -0.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.42 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER 71.56 157.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -153.3 104.96 0.27 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.442 1.089 . . . . 0.0 111.045 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 126.07 9.76 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -130.28 104.61 16.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 114.43 4.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.035 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -58.67 154.4 14.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.1 m -134.91 142.37 46.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.06 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -134.78 162.87 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.29 169.38 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -126.24 -60.04 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -179.09 166.46 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.331 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.62 -142.2 5.47 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.578 1.174 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 154.72 165.57 14.15 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.52 0.776 . . . . 0.0 110.21 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -65.62 -5.91 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.28 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -126.93 26.93 6.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -114.17 -175.94 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.8 t -113.91 137.93 51.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 108.316 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.12 26.4 5.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.619 ' CE1' ' HG3' ' A' ' 41' ' ' LYS . 2.2 t80 -127.54 -57.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 25.8 p -102.07 -24.17 13.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 3.3 mmtt 88.63 20.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.493 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 30.6 mt-10 -79.81 167.33 20.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.38 128.21 53.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.32 -45.7 1.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.522 ' CE1' ' HA ' ' A' ' 39' ' ' CYS . 24.5 p80 -111.85 156.39 22.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 0.75 . . . . 0.0 109.547 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -93.77 167.23 11.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 108.005 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.43 81.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -4.55 19.57 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.65 5.17 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.522 ' HA ' ' CE1' ' A' ' 34' ' ' HIS . 15.5 t -60.41 134.66 91.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.293 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.07 0.84 8.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.558 1.82 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.619 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.47 99.43 7.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.86 174.61 46.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -171.08 8.88 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.021 -0.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -118.27 61.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.25 134.02 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.127 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 165.83 30.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.6 147.62 33.96 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 164.07 33.99 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.575 1.829 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -137.48 169.36 17.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -147.44 147.29 30.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 O-C-N 124.418 1.074 . . . . 0.0 110.032 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.655 HG22 HG23 ' A' ' 3' ' ' VAL . 18.9 m 63.61 136.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.388 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.655 HG23 HG22 ' A' ' 2' ' ' THR . 85.1 t 64.29 93.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.4 p -139.34 -47.35 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 p -177.53 144.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.45 146.5 5.4 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -163.59 -59.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 57.84 77.98 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.4 129.07 56.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.49 149.59 34.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.74 95.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.33 171.52 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.51 89.65 1.05 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.07 65.14 0.51 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -106.5 107.93 19.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.1 145.74 27.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -125.78 165.43 18.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.341 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.545 ' HB3' ' C5 ' ' B' ' 308' ' ' ' U' . 10.9 mtt85 -114.78 68.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m 54.87 37.28 28.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.19 35.91 26.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.87 HD11 ' HB2' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -44.61 143.47 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.51 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.3 OUTLIER -118.55 154.49 32.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -3.9 9.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -134.38 29.18 3.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.492 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -120.6 168.27 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 53.7 t -103.72 132.59 49.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 108.329 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.87 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -94.77 31.7 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.452 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 15.9 t80 -132.59 -58.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 27.2 p -102.23 -11.39 18.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 73.62 23.55 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.563 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 51.7 mt-10 -89.02 141.0 28.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.19 127.01 40.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.89 -47.79 0.85 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.599 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 51.2 p-80 -115.58 176.56 5.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.787 . . . . 0.0 109.614 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -108.88 165.38 11.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 107.964 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.584 ' HB2' ' O6 ' ' B' ' 309' ' ' ' G' . . . -58.7 -39.68 81.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.514 ' NZ ' " H2'" ' B' ' 307' ' ' ' C' . 13.2 mmtm -71.06 -2.72 16.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -130.2 20.07 5.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.599 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 21.7 t -67.7 132.61 92.58 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 108.285 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD3' ' NE2' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.0 1.01 8.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.506 1.792 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.509 ' CE ' ' O4 ' ' B' ' 306' ' ' ' U' . 0.5 OUTLIER -92.13 -22.43 19.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.5 106.54 0.65 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 162.12 37.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.37 147.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.418 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . -60.15 170.94 6.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -74.96 -174.36 13.95 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.013 0.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.94 162.94 27.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.3 -105.57 0.34 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 175.22 11.54 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.26 129.2 12.13 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.88 23.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -178.97 128.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.2 p -126.75 169.32 13.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.46 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.2 p -158.13 109.1 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 tt 58.41 110.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.945 8.161 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 O4'-C4'-C3' 92.354 -9.39 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 117.06 8.289 . 0.61 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . 0.402 ' C6 ' ' N1 ' ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 O4'-C4'-C3' 92.809 -9.065 . 0.639 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 117.281 8.534 . 0.348 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 281' ' ' ' U' . . . . . 0.448 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 93.299 -8.715 . 0.27 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 282' ' ' AP7 . . . . . 0.448 ' N6 ' ' O4 ' ' B' ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . 0.402 " O4'" " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 117.124 8.36 . 0.455 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . 0.623 ' C2 ' ' N2 ' ' B' ' 298' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 117.257 8.508 . 0.212 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 285' ' ' ' A' . . . . . 0.774 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 117.215 8.461 . 0.151 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 286' ' ' ' G' . . . . . 0.469 ' C2 ' ' C2 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 93.283 -8.727 . 0.726 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 287' ' ' ' U' . . . . . 0.495 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 93.705 -8.425 . 0.831 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 288' ' ' ' U' . . . . . 0.557 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 O4'-C4'-C3' 92.912 -8.991 . 0.696 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 289' ' ' ' G' . . . . . 0.557 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 O4'-C4'-C3' 92.138 -9.544 . 0.498 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 290' ' ' ' A' . . . . . 0.651 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 115.998 7.109 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 291' ' ' ' G' . . . . . 0.651 ' C2 ' ' N6 ' ' B' ' 290' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 117.142 8.38 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 292' ' ' ' A' . . . . . 0.645 ' C4 ' " H2'" ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 92.663 -9.169 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 293' ' ' ' A' . . . . . 0.59 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 117.206 8.451 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . 0.448 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.933 8.148 . 0.076 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 295' ' ' ' C' . . . . . 0.448 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 O4'-C4'-C3' 93.14 -8.829 . 0.325 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 O4'-C4'-C3' 93.328 -8.694 . 0.641 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 297' ' ' ' A' . . . . . 0.774 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 93.045 -8.896 . 0.641 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . 0.623 ' N2 ' ' C2 ' ' B' ' 284' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 O4'-C4'-C3' 92.515 -9.275 . 0.313 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 299' ' ' ' C' . . . . . 0.629 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.897 3 O4'-C4'-C3' 91.988 -9.651 . 0.353 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 300' ' ' ' U' . . . . . 0.629 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.661 2 C1'-O4'-C4' 117.45 8.723 . 0.496 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 301' ' ' ' C' . . . . . 0.813 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.0 3 O4'-C4'-C3' 92.57 -9.236 . 0.241 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 302' ' ' ' U' . . . . . 0.813 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 O4'-C4'-C3' 93.849 -8.322 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 303' ' ' ' G' . . . . . 0.559 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.041 2 O4'-C4'-C3' 91.339 -10.115 . 0.345 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 304' ' ' ' U' . . . . . 0.431 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.873 2 O4'-C4'-C3' 92.362 -9.384 . 0.045 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 305' ' ' ' A' . . . . . 0.431 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 O4'-C4'-C3' 90.666 -10.596 . 0.01 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 306' ' ' ' U' . . . . . 0.509 ' O4 ' ' CE ' ' A' ' 41' ' ' LYS . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 O4'-C4'-C3' 92.403 -9.355 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 307' ' ' ' C' . . . . . 0.514 " H2'" ' NZ ' ' A' ' 37' ' ' LYS . . . . . . . . 0 C3'--C2' 1.503 -2.013 3 C1'-O4'-C4' 117.114 8.349 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 308' ' ' ' U' . . . . . 0.545 ' C5 ' ' HB3' ' A' ' 18' ' ' ARG . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 O4'-C4'-C3' 92.262 -9.456 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 309' ' ' ' G' . . . . . 0.584 ' O6 ' ' HB2' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 O4'-C4'-C3' 93.301 -8.714 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 310' ' ' ' G' . . . . . 0.4 " O5'" " O3'" ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 O4'-C4'-C3' 91.921 -9.699 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 93.253 -8.748 . 0.195 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 312' ' ' ' G' . . . . . 0.469 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.049 7.166 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 313' ' ' ' G' . . . . . 0.549 " H2'" ' C8 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.15 2 C1'-O4'-C4' 117.291 8.545 . 0.211 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 314' ' ' ' A' . . . . . 0.641 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 117.088 8.32 . 0.71 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 315' ' ' ' C' . . . . . 0.641 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.305 -12.319 2 C1'-O4'-C4' 119.466 10.962 . 0.01 1b . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 316' ' ' ' C' . . . . . 0.509 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 O4'-C4'-C3' 94.192 -8.077 . 0.421 4g . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 317' ' ' ' C' . . . . . 0.509 ' C6 ' " H2'" ' B' ' 316' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.883 2 C1'-O4'-C4' 116.909 8.121 . 0.539 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 318' ' ' ' G' . . . . . 0.81 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 C1'-O4'-C4' 117.104 8.337 . 0.5 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.496 3.555 3 O4'-C4'-C3' 91.766 -9.81 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 320' ' ' ' G' . . . . . 0.81 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 3 C1'-O4'-C4' 115.018 6.02 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 321' ' ' ' G' . . . . . 0.688 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 92.43 -9.335 . 0.063 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 322' ' ' ' U' . . . . . 0.688 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.961 3 O4'-C4'-C3' 91.208 -10.209 . 0.502 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 323' ' ' ' G' . . . . . 0.432 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.919 3 C1'-O4'-C4' 116.907 8.119 . 0.251 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 324' ' ' ' G' . . . . . 0.744 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.003 0 C3'-C2'-O2' 102.709 -3.652 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 325' ' ' ' A' . . . . . 0.744 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 117.318 8.576 . 0.105 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 326' ' ' ' A' . . . . . 0.617 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 116.629 7.81 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 327' ' ' ' C' . . . . . 0.449 ' C4 ' ' C6 ' ' B' ' 326' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.803 8.003 . 0.61 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 328' ' ' ' U' . . . . . 0.654 ' C4 ' ' N7 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 C1'-O4'-C4' 117.285 8.539 . 0.834 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 329' ' ' ' G' . . . . . 0.654 ' N7 ' ' C4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 91.452 -10.034 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 330' ' ' ' U' . . . . . 0.41 ' C5 ' ' C5 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.222 2 C1'-O4'-C4' 117.386 8.652 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 331' ' ' ' G' . . . . . 0.694 ' C2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.934 3 C1'-O4'-C4' 117.328 8.587 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 332' ' ' ' A' . . . . . 0.694 ' C2 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.018 3 C1'-O4'-C4' 116.977 8.197 . 0.331 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 333' ' ' ' A' . . . . . 0.578 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.399 7.554 . 0.233 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 334' ' ' ' G' . . . . . 0.578 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 116.606 7.785 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 335' ' ' ' U' . . . . . 0.678 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 117.316 8.573 . 0.763 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 336' ' ' ' U' . . . . . 0.678 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 116.997 8.219 . 0.63 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 337' ' ' ' C' . . . . . 0.615 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 91.262 -10.17 . 0.35 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 338' ' ' ' G' . . . . . 0.821 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.021 2 O4'-C4'-C3' 90.398 -10.787 . 0.366 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 339' ' ' ' G' . . . . . 0.821 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 99.357 -11.381 OUTLIER-EPSILON 0.01 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 340' ' ' ' A' . . . . . 0.812 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.917 3 O4'-C4'-C3' 92.274 -9.447 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 341' ' ' ' A' . . . . . 0.812 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 117.189 8.432 . 0.541 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 3 C1'-O4'-C4' 116.853 8.059 . 0.361 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 343' ' ' ' A' . . . . . 0.645 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 117.193 8.437 . 0.6 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 344' ' ' ' C' . . . . . 0.645 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 94.213 -8.062 . 0.613 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 345' ' ' ' C' . . . . . 0.597 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 93.365 -8.668 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 346' ' ' ' C' . . . . . 0.642 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 91.413 -10.062 . 0.434 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 347' ' ' ' G' . . . . . 0.663 ' C6 ' ' C6 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 O4'-C4'-C3' 93.615 -8.489 . 0.323 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 348' ' ' ' G' . . . . . 0.663 ' C6 ' ' C6 ' ' B' ' 347' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.899 2 O4'-C4'-C3' 91.992 -9.649 . 0.273 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 349' ' ' ' C' . . . . . 0.448 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 O4'-C4'-C3' 91.87 -9.736 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 350' ' ' ' C' . . . . . 0.412 ' N4 ' ' O6 ' ' B' ' 351' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.912 3 O4'-C4'-C3' 92.197 -9.502 . 0.449 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 351' ' ' ' G' . . . . . 0.412 ' O6 ' ' N4 ' ' B' ' 350' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 117.254 8.504 . 0.383 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 3 O4'-C4'-C3' 92.603 -9.212 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 117.268 8.52 . 0.293 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 354' ' ' ' A' . . . . . 0.503 ' C6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 117.19 8.433 . 0.559 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 355' ' ' ' C' . . . . . 0.503 ' N4 ' ' C6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.012 3 O4'-C4'-C3' 92.77 -9.093 . 0.581 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 356' ' ' ' C' . . . . . 0.401 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 93.854 -8.319 . 0.142 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 357' ' ' ' C' . . . . . 0.463 ' C4 ' ' C5 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.059 7.176 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 358' ' ' ' U' . . . . . 0.463 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 O4'-C4'-C3' 93.459 -8.601 . 0.171 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 359' ' ' ' G' . . . . . 0.485 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 O4'-C4'-C3' 93.346 -8.681 . 0.43 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 360' ' ' ' G' . . . . . 0.485 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 O4'-C4'-C3' 93.794 -8.361 . 0.275 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 361' ' ' ' G' . . . . . 0.481 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 93.269 -8.737 . 0.342 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 362' ' ' ' A' . . . . . 0.481 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 117.165 8.406 . 0.546 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 363' ' ' ' G' . . . . . 0.479 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 117.237 8.486 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 1 C1'-O4'-C4' 105.49 -4.567 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 0 C3'-C2'-O2' 102.684 -3.661 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 93.738 -8.401 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 117.255 8.506 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 368' ' ' ' C' . . . . . 0.426 " H2'" ' C6 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 O4'-C4'-C3' 91.898 -9.716 . 0.151 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 369' ' ' ' C' . . . . . 0.426 ' C6 ' " H2'" ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 O4'-C4'-C3' 93.374 -8.661 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 92.501 -9.285 . 0.296 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 C1'-O4'-C4' 116.956 8.173 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 117.059 8.288 . 0.722 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 373' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.839 8.044 . 0.573 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 374' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 3 O4'-C4'-C3' 93.987 -8.223 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 91.953 -9.676 . 0.585 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 376' ' ' ' U' . . . . . 0.406 " O3'" ' OP1' ' B' ' 309' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 O4'-C4'-C3' 92.826 -9.053 . 0.422 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.8 p -128.88 174.02 9.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.424 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -174.48 142.83 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.8 p -142.53 135.94 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.226 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.25 146.41 53.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -125.33 167.38 17.72 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.449 1.093 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -153.99 157.78 39.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 110.279 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 157.04 43.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -142.49 157.65 44.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.3 161.46 40.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.43 -52.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.354 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 62.66 164.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.41 -135.86 8.36 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.439 1.087 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.8 175.49 43.91 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' O ' ' O2 ' ' B' ' 308' ' ' ' U' . 0.3 OUTLIER -161.4 178.51 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 110.26 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HA ' " H1'" ' B' ' 308' ' ' ' U' . 12.8 ptt180 -141.79 126.94 18.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.13 98.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.508 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -86.67 41.92 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -37.59 -40.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.23 51.85 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.508 ' CD1' ' HG2' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -103.43 88.47 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.478 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.4 OUTLIER -76.2 156.46 33.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -10.57 29.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -126.27 29.57 5.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.234 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 22.8 mt-30 -119.46 177.88 4.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 47.8 t -99.2 132.74 44.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 108.286 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.562 ' HB2' ' C6 ' ' B' ' 309' ' ' ' G' . . . -93.25 21.79 5.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 11.7 t80 -123.26 -60.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 26.5 p -100.81 -23.78 14.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.656 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER 100.78 -25.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.673 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -39.12 139.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 48.0 tttt -95.66 134.32 38.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.362 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.49 -50.54 0.89 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.433 1.083 . . . . 0.0 110.973 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.501 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 20.0 p-80 -112.43 155.89 23.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 109.629 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -95.17 167.15 11.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 108.021 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.552 ' HB1' " H1'" ' B' ' 307' ' ' ' C' . . . -59.29 -35.71 74.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -8.4 33.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.56 27.54 4.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.501 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 25.5 t -77.41 133.07 68.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.292 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.4 Cg_endo -75.08 1.17 8.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.435 1.755 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -88.34 -23.34 23.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.362 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.7 108.57 1.19 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 176.8 9.44 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.51 1.795 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -148.56 129.38 14.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -121.0 177.99 16.38 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.9 -50.38 0.19 OUTLIER 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.042 -2.483 . . . . 0.0 111.055 -0.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 43.61 85.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.379 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.42 82.07 0.22 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 175.45 11.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.544 1.813 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.48 132.32 0.34 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 168.55 24.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.568 1.825 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -158.61 162.6 37.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.6 t -143.37 158.43 43.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 110.441 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m -112.68 167.49 10.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.399 1.062 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.72 173.95 10.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . 0.429 ' C6 ' ' N7 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 117.023 8.248 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 277' ' ' ' G' . . . . . 0.429 ' N7 ' ' C6 ' ' B' ' 276' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 O4'-C4'-C3' 92.841 -9.042 . 0.666 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 278' ' ' ' C' . . . . . 0.425 ' C6 ' " H2'" ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.919 8.132 . 0.623 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 O4'-C4'-C3' 92.813 -9.062 . 0.603 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.3 8.556 . 0.1 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 93.743 -8.398 . 0.576 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 282' ' ' AP7 . . . . . 0.448 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . 0.448 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 117.231 8.479 . 0.392 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 C1'-O4'-C4' 117.169 8.41 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 285' ' ' ' A' . . . . . 0.796 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 117.135 8.372 . 0.251 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 286' ' ' ' G' . . . . . 0.432 ' C5 ' ' C6 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 O4'-C4'-C3' 93.142 -8.827 . 0.401 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 287' ' ' ' U' . . . . . 0.603 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.861 2 O4'-C4'-C3' 91.988 -9.652 . 0.632 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 288' ' ' ' U' . . . . . 0.603 ' C4 ' ' C4 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 92.512 -9.277 . 0.557 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 289' ' ' ' G' . . . . . 0.594 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.036 2 O4'-C4'-C3' 92.627 -9.195 . 0.585 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 290' ' ' ' A' . . . . . 0.651 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.199 7.332 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 291' ' ' ' G' . . . . . 0.729 ' C5 ' ' C6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.825 8.028 . 0.075 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 292' ' ' ' A' . . . . . 0.729 ' C6 ' ' C5 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 117.118 8.353 . 0.213 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 293' ' ' ' A' . . . . . 0.589 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 117.197 8.442 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . 0.436 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 117.244 8.493 . 0.547 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 295' ' ' ' C' . . . . . 0.436 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 116.97 8.188 . 0.186 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 296' ' ' ' U' . . . . . 0.416 " H2'" " O4'" ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 117.068 8.297 . 0.693 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 297' ' ' ' A' . . . . . 0.796 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 93.327 -8.695 . 0.495 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 3 O4'-C4'-C3' 92.43 -9.336 . 0.115 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 299' ' ' ' C' . . . . . 0.6 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.014 3 O4'-C4'-C3' 91.504 -9.997 . 0.302 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 300' ' ' ' U' . . . . . 0.631 ' C4 ' ' N4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.299 2 C1'-O4'-C4' 117.387 8.652 . 0.624 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 301' ' ' ' C' . . . . . 0.805 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.003 3 O4'-C4'-C3' 92.474 -9.304 . 0.172 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 302' ' ' ' U' . . . . . 0.805 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.146 8.384 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 303' ' ' ' G' . . . . . 0.613 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 O4'-C4'-C3' 91.783 -9.798 . 0.144 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 304' ' ' ' U' . . . . . 0.428 " O4'" " H2'" ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 O4'-C4'-C3' 93.249 -8.75 . 0.185 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 305' ' ' ' A' . . . . . 0.417 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.946 3 O4'-C4'-C3' 91.158 -10.244 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 306' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 92.197 -9.502 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 307' ' ' ' C' . . . . . 0.552 " H1'" ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.061 8.29 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 308' ' ' ' U' . . . . . 0.429 " H1'" ' HA ' ' A' ' 16' ' ' ARG . . . . . . . . 0 C3'--C2' 1.502 -2.053 2 O4'-C4'-C3' 92.823 -9.055 . 0.0 OUTLIER '7D dist 3a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 309' ' ' ' G' . . . . . 0.562 ' C6 ' ' HB2' ' A' ' 27' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 90.121 -10.985 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 310' ' ' ' G' . . . . . 0.545 ' O6 ' ' C4 ' ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 O4'-C4'-C3' 91.473 -10.019 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 311' ' ' ' C' . . . . . 0.433 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 O4'-C4'-C3' 92.721 -9.128 . 0.36 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 312' ' ' ' G' . . . . . 0.525 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 C1'-O4'-C4' 116.282 7.425 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 313' ' ' ' G' . . . . . 0.525 ' C5 ' ' C6 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.023 2 C1'-O4'-C4' 117.193 8.437 . 0.124 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 314' ' ' ' A' . . . . . 0.659 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 116.737 7.93 . 0.687 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 315' ' ' ' C' . . . . . 0.659 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.299 -12.826 2 C1'-O4'-C4' 119.559 11.066 . 0.01 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 115.988 7.098 . 0.144 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 317' ' ' ' C' . . . . . 0.643 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 117.226 8.473 . 0.377 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 318' ' ' ' G' . . . . . 0.799 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 C1'-O4'-C4' 117.164 8.405 . 0.397 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.491 3.191 2 O4'-C4'-C3' 91.627 -9.909 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 320' ' ' ' G' . . . . . 0.799 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.904 3 C1'-O4'-C4' 115.006 6.007 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 321' ' ' ' G' . . . . . 0.57 ' C5 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.896 3 O4'-C4'-C3' 92.459 -9.315 . 0.106 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 322' ' ' ' U' . . . . . 0.457 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 O4'-C4'-C3' 93.119 -8.843 . 0.11 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 323' ' ' ' G' . . . . . 0.627 ' C6 ' ' C2 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.484 2.583 2 C1'-O4'-C4' 116.415 7.573 . 0.127 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 324' ' ' ' G' . . . . . 0.696 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.689 7.877 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 325' ' ' ' A' . . . . . 0.696 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 117.315 8.573 . 0.628 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 326' ' ' ' A' . . . . . 0.631 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 116.718 7.909 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.772 7.969 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 328' ' ' ' U' . . . . . 0.631 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 117.258 8.509 . 0.847 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 329' ' ' ' G' . . . . . 0.631 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 O4'-C4'-C3' 92.898 -9.001 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 330' ' ' ' U' . . . . . 0.448 ' OP1' ' N7 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 O4'-C4'-C3' 91.878 -9.73 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 331' ' ' ' G' . . . . . 0.623 ' OP2' ' C2 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 93.378 -8.658 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 332' ' ' ' A' . . . . . 0.444 ' OP2' ' N2 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 117.281 8.534 . 0.081 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 333' ' ' ' A' . . . . . 0.575 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.205 8.45 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 334' ' ' ' G' . . . . . 0.575 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 116.867 8.074 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 335' ' ' ' U' . . . . . 0.613 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 117.145 8.383 . 0.662 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 336' ' ' ' U' . . . . . 0.613 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 116.936 8.151 . 0.58 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 337' ' ' ' C' . . . . . 0.623 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 O4'-C4'-C3' 90.988 -10.366 . 0.353 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 338' ' ' ' G' . . . . . 0.825 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.023 2 O4'-C4'-C3' 90.235 -10.904 . 0.667 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 339' ' ' ' G' . . . . . 0.825 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 99.745 -10.951 OUTLIER-EPSILON 0.037 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 340' ' ' ' A' . . . . . 0.795 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.478 2.088 3 O4'-C4'-C3' 92.18 -9.514 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 341' ' ' ' A' . . . . . 0.795 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 117.318 8.576 . 0.584 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.877 3 C1'-O4'-C4' 116.798 7.998 . 0.22 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 343' ' ' ' A' . . . . . 0.627 ' C2 ' ' C6 ' ' B' ' 323' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 117.185 8.428 . 0.616 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 344' ' ' ' C' . . . . . 0.53 ' C4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 O4'-C4'-C3' 92.629 -9.194 . 0.442 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 345' ' ' ' C' . . . . . 0.787 ' C4 ' ' C5 ' ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 93.081 -8.871 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 346' ' ' ' C' . . . . . 0.787 ' C5 ' ' C4 ' ' B' ' 345' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.873 1 O4'-C4'-C3' 90.578 -10.659 . 0.613 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 347' ' ' ' G' . . . . . 0.709 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 O4'-C4'-C3' 94.235 -8.046 . 0.322 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 348' ' ' ' G' . . . . . 0.709 ' C5 ' ' C6 ' ' B' ' 347' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 O4'-C4'-C3' 92.199 -9.501 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 349' ' ' ' C' . . . . . 0.469 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.962 3 O4'-C4'-C3' 91.513 -9.991 . 0.048 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 350' ' ' ' C' . . . . . 0.431 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.896 3 O4'-C4'-C3' 91.899 -9.715 . 0.452 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 C1'-O4'-C4' 117.232 8.481 . 0.411 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 352' ' ' ' C' . . . . . 0.415 ' C4 ' ' N6 ' ' B' ' 353' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 O4'-C4'-C3' 93.304 -8.712 . 0.59 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 353' ' ' ' A' . . . . . 0.415 ' N6 ' ' C4 ' ' B' ' 352' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.173 8.414 . 0.46 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 354' ' ' ' A' . . . . . 0.501 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 O4'-C4'-C3' 93.901 -8.285 . 0.794 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 355' ' ' ' C' . . . . . 0.501 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 92.372 -9.377 . 0.768 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 356' ' ' ' C' . . . . . 0.436 ' C6 ' " H2'" ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 93.25 -8.75 . 0.107 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 357' ' ' ' C' . . . . . 0.462 ' C4 ' ' C5 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 116.095 7.216 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 358' ' ' ' U' . . . . . 0.462 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.05 2 O4'-C4'-C3' 92.824 -9.054 . 0.188 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 359' ' ' ' G' . . . . . 0.462 ' C8 ' " H2'" ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 116.905 8.116 . 0.034 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 360' ' ' ' G' . . . . . 0.407 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.865 2 O4'-C4'-C3' 94.173 -8.091 . 0.415 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 361' ' ' ' G' . . . . . 0.484 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.029 2 O4'-C4'-C3' 93.125 -8.839 . 0.323 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 362' ' ' ' A' . . . . . 0.484 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 117.224 8.471 . 0.519 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 363' ' ' ' G' . . . . . 0.47 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 117.23 8.478 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 1 C1'-O4'-C4' 105.762 -4.265 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 1 C1'-O4'-C4' 104.459 -5.712 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 91.889 -9.722 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 117.236 8.485 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 368' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.072 2 O4'-C4'-C3' 92.136 -9.546 . 0.164 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 369' ' ' ' C' . . . . . 0.428 " H2'" ' C6 ' ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 93.098 -8.858 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 370' ' ' ' C' . . . . . 0.428 ' C6 ' " H2'" ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 92.566 -9.239 . 0.251 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 116.893 8.103 . 0.361 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 O4'-C4'-C3' 94.084 -8.154 . 0.62 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 373' ' ' ' G' . . . . . 0.478 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 116.729 7.921 . 0.02 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 374' ' ' ' G' . . . . . 0.58 ' C6 ' ' C4 ' ' B' ' 375' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 116.925 8.138 . 0.024 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 375' ' ' ' U' . . . . . 0.58 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.888 3 O4'-C4'-C3' 92.062 -9.598 . 0.709 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 376' ' ' ' U' . . . . . 0.545 ' C4 ' ' O6 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.057 2 O4'-C4'-C3' 93.672 -8.448 . 0.503 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.7 p -56.66 112.34 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.4 t -141.92 147.07 22.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 6' ' ' GLY . 74.5 t -92.33 117.73 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.05 -84.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 4' ' ' VAL . . . 42.74 -118.09 1.69 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -163.92 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.21 98.76 7.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.391 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -109.93 155.85 21.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -60.46 131.52 51.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.95 171.71 13.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -134.2 80.7 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.259 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.86 147.56 16.28 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.44 1.087 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.89 -124.96 3.07 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 169.76 177.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mtm-85 -159.75 -81.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.263 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.62 145.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -79.13 52.79 1.34 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.6 m 51.13 36.31 15.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 22' ' ' ASP . 31.2 mt-30 59.44 40.97 20.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.304 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.525 HD12 ' C5 ' ' B' ' 308' ' ' ' U' . 0.5 OUTLIER -48.96 94.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.477 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.9 OUTLIER -69.35 154.0 42.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.068 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 0.0 OUTLIER -67.26 -6.69 19.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.53 25.44 4.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 38.8 tt0 -116.86 133.8 55.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 49.3 t -60.31 131.09 49.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 108.288 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.19 25.43 6.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.591 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 9.8 t80 -122.82 -64.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 27.9 p -94.58 -9.89 33.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.295 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 74.82 23.03 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.606 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 50.7 mt-10 -90.23 115.45 27.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.77 127.85 33.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.269 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 138.82 -55.38 0.67 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.432 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 23.4 p-80 -108.9 160.4 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.67 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -92.11 158.76 16.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.009 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.497 ' CB ' ' O6 ' ' B' ' 309' ' ' ' G' . . . -59.8 -33.59 71.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -66.78 -10.3 46.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -129.64 25.79 5.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.371 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.472 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 35.9 t -71.88 134.15 83.73 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 108.229 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.0 Cg_endo -75.07 2.27 6.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.591 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 1.4 ttmt -88.29 -25.91 22.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.41 ' NZ ' ' N3 ' ' B' ' 307' ' ' ' C' . 3.6 mttt -42.95 101.99 0.26 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -50.21 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.558 1.82 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.14 89.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.504 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . -131.55 157.69 22.45 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.504 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.05 -33.66 3.91 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.953 -2.52 . . . . 0.0 111.04 0.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -171.67 122.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.579 1.174 . . . . 0.0 110.358 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -117.28 94.72 0.63 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 147.76 34.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.54 1.81 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.84 114.71 58.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -179.99 5.54 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.479 1.779 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -163.93 160.6 22.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 110.341 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 53' ' ' THR . 9.8 t -155.67 58.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.443 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.87 162.55 13.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.687 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -106.99 -44.78 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 C1'-O4'-C4' 116.777 7.975 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 92.668 -9.166 . 0.694 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.021 2 O4'-C4'-C3' 93.61 -8.493 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 116.758 7.953 . 0.523 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 280' ' ' ' G' . . . . . 0.418 ' C2 ' ' O2 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 117.058 8.286 . 0.553 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.871 2 O4'-C4'-C3' 92.633 -9.191 . 0.762 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 282' ' ' AP7 . . . . . 0.466 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . 0.466 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 117.202 8.447 . 0.205 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 C1'-O4'-C4' 117.197 8.441 . 0.827 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 285' ' ' ' A' . . . . . 0.795 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.027 2 C1'-O4'-C4' 117.102 8.335 . 0.043 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 286' ' ' ' G' . . . . . 0.408 " H2'" " O4'" ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.995 2 O4'-C4'-C3' 92.66 -9.171 . 0.407 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 287' ' ' ' U' . . . . . 0.427 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 O4'-C4'-C3' 91.438 -10.045 . 0.763 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 288' ' ' ' U' . . . . . 0.482 ' C4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 91.57 -9.95 . 0.711 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 289' ' ' ' G' . . . . . 0.506 " O2'" ' C8 ' ' B' ' 290' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 O4'-C4'-C3' 90.818 -10.487 . 0.644 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 290' ' ' ' A' . . . . . 0.506 ' C8 ' " O2'" ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 115.93 7.034 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 291' ' ' ' G' . . . . . 0.659 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 117.208 8.453 . 0.016 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 292' ' ' ' A' . . . . . 0.659 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 91.83 -9.764 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 293' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.391 7.546 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . 0.469 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 C1'-O4'-C4' 116.904 8.116 . 0.21 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 295' ' ' ' C' . . . . . 0.469 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.873 2 O4'-C4'-C3' 93.061 -8.885 . 0.204 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.996 -8.931 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 297' ' ' ' A' . . . . . 0.795 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 O4'-C4'-C3' 93.228 -8.765 . 0.646 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.855 3 O4'-C4'-C3' 92.249 -9.465 . 0.176 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 299' ' ' ' C' . . . . . 0.602 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.026 3 O4'-C4'-C3' 91.734 -9.833 . 0.363 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 300' ' ' ' U' . . . . . 0.631 ' C4 ' ' N4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.761 2 C1'-O4'-C4' 117.413 8.681 . 0.772 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 301' ' ' ' C' . . . . . 0.817 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.923 3 O4'-C4'-C3' 92.726 -9.124 . 0.139 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 302' ' ' ' U' . . . . . 0.817 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 C1'-O4'-C4' 117.249 8.498 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 303' ' ' ' G' . . . . . 0.465 ' C5 ' ' C5 ' ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.87 2 O4'-C4'-C3' 92.937 -8.973 . 0.534 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 304' ' ' ' U' . . . . . 0.465 ' C5 ' ' C5 ' ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 C1'-O4'-C4' 116.189 7.321 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 305' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 3 O4'-C4'-C3' 91.496 -10.003 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 306' ' ' ' U' . . . . . 0.498 ' C2 ' ' HA ' ' A' ' 29' ' ' CYS . . . . . . . . 0 C3'--C2' 1.504 -1.895 1 O4'-C4'-C3' 91.572 -9.948 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 307' ' ' ' C' . . . . . 0.41 ' N3 ' ' NZ ' ' A' ' 42' ' ' LYS . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 117.259 8.51 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 308' ' ' ' U' . . . . . 0.525 ' C5 ' HD12 ' A' ' 21' ' ' LEU . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 O4'-C4'-C3' 91.227 -10.195 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 309' ' ' ' G' . . . . . 0.497 ' O6 ' ' CB ' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -1.999 1 O4'-C4'-C3' 91.035 -10.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 310' ' ' ' G' . . . . . 0.418 " H2'" ' C6 ' ' B' ' 311' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 92.293 -9.434 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 311' ' ' ' C' . . . . . 0.418 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 93.165 -8.811 . 0.387 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 312' ' ' ' G' . . . . . 0.448 " O2'" " H5'" ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 115.913 7.015 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 313' ' ' ' G' . . . . . 0.448 " H5'" " O2'" ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.083 2 C1'-O4'-C4' 116.964 8.183 . 0.181 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 314' ' ' ' A' . . . . . 0.645 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.022 2 C1'-O4'-C4' 116.762 7.958 . 0.639 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 315' ' ' ' C' . . . . . 0.645 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.3 -12.751 2 C1'-O4'-C4' 119.578 11.087 . 0.01 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 C1'-O4'-C4' 116.87 8.077 . 0.065 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 317' ' ' ' C' . . . . . 0.638 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 116.923 8.137 . 0.437 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 318' ' ' ' G' . . . . . 0.809 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 C1'-O4'-C4' 117.217 8.464 . 0.414 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.495 3.473 2 O4'-C4'-C3' 92.479 -9.301 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 320' ' ' ' G' . . . . . 0.809 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.96 3 C1'-O4'-C4' 114.966 5.963 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 321' ' ' ' G' . . . . . 0.638 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.893 3 O4'-C4'-C3' 92.296 -9.431 . 0.091 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 322' ' ' ' U' . . . . . 0.638 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.921 3 O4'-C4'-C3' 91.199 -10.215 . 0.212 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 323' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 C1'-O4'-C4' 116.675 7.861 . 0.428 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 324' ' ' ' G' . . . . . 0.674 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.882 0 C3'-C2'-O2' 102.668 -3.666 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 325' ' ' ' A' . . . . . 0.694 ' C6 ' ' C6 ' ' B' ' 326' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.725 2 C1'-O4'-C4' 117.352 8.613 . 0.124 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 326' ' ' ' A' . . . . . 0.694 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.899 2 C1'-O4'-C4' 116.586 7.762 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 C1'-O4'-C4' 116.816 8.018 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 328' ' ' ' U' . . . . . 0.605 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 117.274 8.527 . 0.841 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 329' ' ' ' G' . . . . . 0.605 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 90.43 -10.764 . 0.564 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 330' ' ' ' U' . . . . . 0.495 ' C5 ' ' C5 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.498 2 C1'-O4'-C4' 117.065 8.294 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 331' ' ' ' G' . . . . . 0.701 ' C2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.039 2 C1'-O4'-C4' 117.462 8.735 . 0.107 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 332' ' ' ' A' . . . . . 0.701 ' C2 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 93.545 -8.539 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 333' ' ' ' A' . . . . . 0.611 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.13 2 C1'-O4'-C4' 117.265 8.517 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 334' ' ' ' G' . . . . . 0.611 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 116.544 7.716 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 335' ' ' ' U' . . . . . 0.654 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.865 2 C1'-O4'-C4' 117.179 8.421 . 0.509 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 336' ' ' ' U' . . . . . 0.654 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.242 2 C1'-O4'-C4' 117.55 8.833 . 0.36 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 337' ' ' ' C' . . . . . 0.68 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.031 2 C1'-O4'-C4' 116.616 7.796 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 338' ' ' ' G' . . . . . 0.699 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.031 2 O4'-C4'-C3' 90.195 -10.932 . 0.076 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 339' ' ' ' G' . . . . . 0.699 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 100.52 -10.089 OUTLIER-EPSILON 0.095 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 340' ' ' ' A' . . . . . 0.592 ' N1 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.482 2.421 2 O4'-C4'-C3' 93.145 -8.825 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 341' ' ' ' A' . . . . . 0.592 ' C4 ' ' N1 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.254 2 C1'-O4'-C4' 117.478 8.753 . 0.725 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.021 2 C1'-O4'-C4' 116.695 7.883 . 0.255 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 343' ' ' ' A' . . . . . 0.661 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 117.2 8.444 . 0.799 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 344' ' ' ' C' . . . . . 0.661 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 C1'-O4'-C4' 116.701 7.89 . 0.627 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 345' ' ' ' C' . . . . . 0.789 ' C4 ' ' C5 ' ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 117.087 8.319 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 346' ' ' ' C' . . . . . 0.789 ' C5 ' ' C4 ' ' B' ' 345' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 90.704 -10.569 . 0.46 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 347' ' ' ' G' . . . . . 0.453 ' C8 ' " H2'" ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.795 7.995 . 0.182 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 348' ' ' ' G' . . . . . 0.653 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 O4'-C4'-C3' 91.931 -9.692 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 349' ' ' ' C' . . . . . 0.653 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 O4'-C4'-C3' 91.019 -10.344 . 0.034 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 350' ' ' ' C' . . . . . 0.443 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.965 3 O4'-C4'-C3' 91.551 -9.964 . 0.478 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 117.113 8.348 . 0.425 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 O4'-C4'-C3' 92.546 -9.253 . 0.468 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 353' ' ' ' A' . . . . . 0.464 " H2'" " O4'" ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.827 3 C1'-O4'-C4' 117.268 8.519 . 0.277 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 354' ' ' ' A' . . . . . 0.464 " O4'" " H2'" ' B' ' 353' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 93.279 -8.729 . 0.549 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 355' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 O4'-C4'-C3' 92.88 -9.014 . 0.571 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 356' ' ' ' C' . . . . . 0.465 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 O4'-C4'-C3' 92.58 -9.228 . 0.589 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 357' ' ' ' C' . . . . . 0.465 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 116.712 7.902 . 0.35 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 358' ' ' ' U' . . . . . 0.444 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 O4'-C4'-C3' 93.568 -8.523 . 0.429 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 359' ' ' ' G' . . . . . 0.484 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.863 2 O4'-C4'-C3' 93.527 -8.552 . 0.03 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 360' ' ' ' G' . . . . . 0.484 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 117.029 8.254 . 0.445 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 361' ' ' ' G' . . . . . 0.477 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.02 2 C1'-O4'-C4' 117.0 8.223 . 0.347 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 362' ' ' ' A' . . . . . 0.481 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 117.181 8.423 . 0.463 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 363' ' ' ' G' . . . . . 0.481 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 117.234 8.482 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 1 C1'-O4'-C4' 104.857 -5.271 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 1 C1'-O4'-C4' 104.642 -5.509 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 1 C1'-O4'-C4' 114.834 5.816 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.022 2 C1'-O4'-C4' 117.125 8.361 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 368' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 92.632 -9.191 . 0.281 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 369' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 93.856 -8.317 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 92.905 -8.997 . 0.267 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 116.857 8.063 . 0.077 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.959 8.177 . 0.682 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 373' ' ' ' G' . . . . . 0.444 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 116.878 8.087 . 0.228 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 374' ' ' ' G' . . . . . 0.444 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 117.145 8.383 . 0.021 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 375' ' ' ' U' . . . . . 0.406 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.851 3 O4'-C4'-C3' 94.092 -8.148 . 0.54 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 92.516 -9.274 . 0.608 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.1 m -76.2 110.75 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.418 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.634 HG12 HG12 ' A' ' 4' ' ' VAL . 78.5 t -90.92 -54.06 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.634 HG12 HG12 ' A' ' 3' ' ' VAL . 2.4 p -166.25 -42.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -121.26 158.21 28.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.21 139.87 14.64 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -161.52 154.7 21.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 0.721 . . . . 0.0 110.245 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -160.39 124.03 3.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 73.51 96.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 31.0 t70 -177.68 136.39 0.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.446 ' CG ' ' O ' ' A' ' 10' ' ' ASP . 18.3 mtt180 -164.77 159.46 18.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.185 . . . . 0.0 110.301 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -163.86 142.54 7.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.33 -160.76 21.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.85 112.27 3.48 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -169.81 138.37 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.29 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER 52.93 177.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.508 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.0 OUTLIER 68.35 -55.43 0.52 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.227 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.689 ' HG2' HD12 ' A' ' 21' ' ' LEU . 28.5 mtt85 -73.17 38.42 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.539 ' C ' ' O ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -26.85 -41.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.939 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.591 ' N ' ' O ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -167.36 46.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.225 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.689 HD12 ' HG2' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -47.77 95.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.497 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 3.5 t0 -82.55 151.25 26.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.474 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 0.0 OUTLIER -62.1 -12.21 18.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.73 29.78 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -116.43 176.93 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 39.1 t -104.96 132.99 50.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 108.263 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.477 ' O ' " H4'" ' B' ' 307' ' ' ' C' . . . -92.26 20.53 5.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.384 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.629 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 2.6 t80 -124.58 -62.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.064 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.619 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 30.7 p -100.17 -20.36 16.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.332 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.619 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 1.2 mmtt 97.4 -27.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 0.0 109.239 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.527 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 47.0 mt-10 -34.46 150.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.01 138.49 44.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.77 -45.58 1.17 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.412 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 13.5 p-80 -114.02 161.47 17.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 0.744 . . . . 0.0 109.61 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -100.07 165.11 11.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.64 ' HB1' " H1'" ' B' ' 307' ' ' ' C' . . . -58.74 -37.48 76.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -65.25 -11.05 37.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -131.59 30.96 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 42' ' ' LYS . 49.8 t -80.8 131.67 59.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.282 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 3.01 5.97 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.818 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.629 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 2.9 ttmt -94.27 -26.41 16.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -79.09 114.25 42.92 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.63 4.65 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -104.21 145.43 30.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 110.303 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.79 175.93 14.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 133.19 30.28 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.985 -0.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -77.92 143.94 37.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.41 147.9 19.48 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 78.41 2.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -147.06 105.87 3.88 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.24 7.54 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.559 1.82 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -107.8 70.51 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.7 p -114.63 127.78 55.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.421 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.4 p -178.57 150.21 0.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.72 166.3 12.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 56' ' ' LEU . 6.9 tt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 117.251 8.501 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 O4'-C4'-C3' 92.562 -9.241 . 0.715 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 C1'-O4'-C4' 117.079 8.31 . 0.438 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.048 2 O4'-C4'-C3' 92.95 -8.964 . 0.69 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 117.216 8.463 . 0.026 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 93.639 -8.472 . 0.495 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 282' ' ' AP7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 93.696 -8.431 . 0.014 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 117.205 8.45 . 0.191 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 285' ' ' ' A' . . . . . 0.639 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.976 8.195 . 0.755 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 286' ' ' ' G' . . . . . 0.419 ' C5 ' ' C6 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 O4'-C4'-C3' 92.542 -9.256 . 0.521 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 287' ' ' ' U' . . . . . 0.518 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 92.729 -9.122 . 0.536 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 288' ' ' ' U' . . . . . 0.518 ' C4 ' ' C4 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 92.395 -9.361 . 0.68 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 289' ' ' ' G' . . . . . 0.6 ' C2 ' ' C6 ' ' B' ' 293' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 O4'-C4'-C3' 91.934 -9.69 . 0.012 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 290' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 O4'-C4'-C3' 92.701 -9.142 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 291' ' ' ' G' . . . . . 0.653 ' C2 ' ' C2 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 C1'-O4'-C4' 116.807 8.008 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 292' ' ' ' A' . . . . . 0.653 ' C2 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.851 2 C1'-O4'-C4' 116.937 8.152 . 0.086 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 293' ' ' ' A' . . . . . 0.6 ' C6 ' ' C2 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.205 8.45 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . 0.522 ' C6 ' ' C4 ' ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 117.173 8.415 . 0.797 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 295' ' ' ' C' . . . . . 0.522 ' C4 ' ' C6 ' ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.79 2 O4'-C4'-C3' 94.236 -8.046 . 0.29 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 296' ' ' ' U' . . . . . 0.444 " H2'" " O4'" ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 117.28 8.534 . 0.499 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 297' ' ' ' A' . . . . . 0.639 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 O4'-C4'-C3' 93.461 -8.599 . 0.519 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 93.416 -8.632 . 0.67 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 299' ' ' ' C' . . . . . 0.582 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.012 3 O4'-C4'-C3' 91.36 -10.1 . 0.311 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 300' ' ' ' U' . . . . . 0.582 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.653 2 C1'-O4'-C4' 117.393 8.659 . 0.598 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 301' ' ' ' C' . . . . . 0.797 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.906 3 O4'-C4'-C3' 92.382 -9.37 . 0.229 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 302' ' ' ' U' . . . . . 0.797 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 116.823 8.025 . 0.02 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 303' ' ' ' G' . . . . . 0.559 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 91.624 -9.911 . 0.347 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 304' ' ' ' U' . . . . . 0.418 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 C1'-O4'-C4' 116.812 8.013 . 0.06 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 305' ' ' ' A' . . . . . 0.418 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.021 2 O4'-C4'-C3' 94.013 -8.205 . 0.01 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 306' ' ' ' U' . . . . . 0.431 ' C5 ' ' HD2' ' A' ' 41' ' ' LYS . . . . . . . . 0 C3'--C2' 1.504 -1.949 1 O4'-C4'-C3' 90.853 -10.462 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 307' ' ' ' C' . . . . . 0.64 " H1'" ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 O4'--C4' 1.429 -2.021 2 C1'-O4'-C4' 117.191 8.435 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 308' ' ' ' U' . . . . . 0.509 ' OP2' " C2'" ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 91.458 -10.03 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 309' ' ' ' G' . . . . . 0.497 ' N2 ' ' O ' ' A' ' 22' ' ' ASP . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 O4'-C4'-C3' 91.294 -10.147 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 310' ' ' ' G' . . . . . 0.594 ' O6 ' ' C4 ' ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.963 1 O4'-C4'-C3' 90.067 -11.023 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 311' ' ' ' C' . . . . . 0.57 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.835 2 O4'-C4'-C3' 92.329 -9.408 . 0.197 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 312' ' ' ' G' . . . . . 0.549 ' N1 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 C1'-O4'-C4' 116.3 7.445 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 313' ' ' ' G' . . . . . 0.549 ' C5 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 116.955 8.172 . 0.21 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 314' ' ' ' A' . . . . . 0.642 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 C1'-O4'-C4' 116.716 7.906 . 0.618 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 315' ' ' ' C' . . . . . 0.642 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.296 -13.059 2 C1'-O4'-C4' 119.584 11.093 . 0.014 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 1 C1'-O4'-C4' 115.595 6.661 . 0.092 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 317' ' ' ' C' . . . . . 0.64 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 117.086 8.318 . 0.316 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 318' ' ' ' G' . . . . . 0.793 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 117.142 8.38 . 0.414 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.493 3.365 2 O4'-C4'-C3' 93.062 -8.884 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 320' ' ' ' G' . . . . . 0.793 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.013 1 C1'-O4'-C4' 114.367 5.297 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 321' ' ' ' G' . . . . . 0.655 ' C6 ' ' N3 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.966 3 O4'-C4'-C3' 92.8 -9.071 . 0.119 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 322' ' ' ' U' . . . . . 0.655 ' N3 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.04 2 O4'-C4'-C3' 91.285 -10.154 . 0.742 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 323' ' ' ' G' . . . . . 0.404 " C2'" " O5'" ' B' ' 324' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 O4'-C4'-C3' 92.145 -9.539 . 0.403 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 324' ' ' ' G' . . . . . 0.655 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.91 0 C3'-C2'-O2' 102.694 -3.657 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 325' ' ' ' A' . . . . . 0.655 ' C6 ' ' C6 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.218 2 C1'-O4'-C4' 116.997 8.219 . 0.11 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 326' ' ' ' A' . . . . . 0.54 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.644 7.827 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 116.86 8.067 . 0.424 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 328' ' ' ' U' . . . . . 0.611 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.034 2 C1'-O4'-C4' 117.24 8.488 . 0.738 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 329' ' ' ' G' . . . . . 0.611 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 O4'-C4'-C3' 92.066 -9.596 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.051 2 O4'-C4'-C3' 91.373 -10.091 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 331' ' ' ' G' . . . . . 0.607 ' C2 ' ' N1 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 O4'-C4'-C3' 93.52 -8.557 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 332' ' ' ' A' . . . . . 0.607 ' N1 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 116.822 8.025 . 0.221 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 333' ' ' ' A' . . . . . 0.58 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 117.266 8.517 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 334' ' ' ' G' . . . . . 0.58 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 116.913 8.126 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 335' ' ' ' U' . . . . . 0.637 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.853 2 C1'-O4'-C4' 117.092 8.324 . 0.277 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 336' ' ' ' U' . . . . . 0.637 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 C1'-O4'-C4' 117.132 8.369 . 0.378 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 337' ' ' ' C' . . . . . 0.689 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 117.331 8.59 . 0.46 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 338' ' ' ' G' . . . . . 0.689 ' N7 ' ' C4 ' ' B' ' 337' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 90.189 -10.936 . 0.255 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 339' ' ' ' G' . . . . . 0.671 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 100.557 -10.047 OUTLIER-EPSILON 0.113 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 340' ' ' ' A' . . . . . 0.597 ' N1 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.484 2.619 2 O4'-C4'-C3' 92.932 -8.977 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 341' ' ' ' A' . . . . . 0.597 ' C4 ' ' N1 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.282 2 C1'-O4'-C4' 117.441 8.712 . 0.63 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.858 8.064 . 0.248 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 343' ' ' ' A' . . . . . 0.64 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 117.209 8.454 . 0.706 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 344' ' ' ' C' . . . . . 0.64 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 O4'-C4'-C3' 93.68 -8.443 . 0.473 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 345' ' ' ' C' . . . . . 0.601 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 C1'-O4'-C4' 116.803 8.003 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 346' ' ' ' C' . . . . . 0.606 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 O4'-C4'-C3' 92.983 -8.941 . 0.083 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 347' ' ' ' G' . . . . . 0.479 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 O4'-C4'-C3' 92.948 -8.965 . 0.638 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 348' ' ' ' G' . . . . . 0.64 ' N2 ' ' C2 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 O4'-C4'-C3' 91.632 -9.905 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 349' ' ' ' C' . . . . . 0.478 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.97 3 O4'-C4'-C3' 91.365 -10.096 . 0.029 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 350' ' ' ' C' . . . . . 0.434 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 O4'-C4'-C3' 91.225 -10.196 . 0.5 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 C1'-O4'-C4' 117.272 8.525 . 0.551 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 352' ' ' ' C' . . . . . 0.473 ' N4 ' ' N6 ' ' B' ' 353' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.979 3 O4'-C4'-C3' 92.731 -9.121 . 0.412 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 353' ' ' ' A' . . . . . 0.473 ' N6 ' ' N4 ' ' B' ' 352' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 92.558 -9.245 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 354' ' ' ' A' . . . . . 0.486 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.989 3 O4'-C4'-C3' 91.803 -9.783 . 0.716 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 355' ' ' ' C' . . . . . 0.49 " H2'" ' C6 ' ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 93.15 -8.822 . 0.807 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 356' ' ' ' C' . . . . . 0.49 ' C6 ' " H2'" ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 117.18 8.422 . 0.121 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 357' ' ' ' C' . . . . . 0.455 ' C4 ' ' C5 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.09 7.211 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 358' ' ' ' U' . . . . . 0.455 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 O4'-C4'-C3' 93.261 -8.742 . 0.278 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 359' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 C1'-O4'-C4' 117.2 8.445 . 0.395 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 360' ' ' ' G' . . . . . 0.401 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.187 8.43 . 0.217 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 361' ' ' ' G' . . . . . 0.488 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 C1'-O4'-C4' 116.948 8.165 . 0.321 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 362' ' ' ' A' . . . . . 0.488 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.218 8.465 . 0.106 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 363' ' ' ' G' . . . . . 0.473 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.053 2 C1'-O4'-C4' 117.286 8.541 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 O4'-C4'-C3' 93.599 -8.501 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 0 C3'-C2'-O2' 102.674 -3.664 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.021 0 C3'-C2'-O2' 102.702 -3.655 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 117.24 8.489 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 368' ' ' ' C' . . . . . 0.441 " H2'" ' C6 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 O4'-C4'-C3' 91.814 -9.776 . 0.216 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 369' ' ' ' C' . . . . . 0.441 ' C6 ' " H2'" ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 93.317 -8.702 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 370' ' ' ' C' . . . . . 0.498 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 92.397 -9.359 . 0.14 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 371' ' ' ' A' . . . . . 0.498 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 C1'-O4'-C4' 116.857 8.064 . 0.226 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.934 8.148 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 373' ' ' ' G' . . . . . 0.436 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 117.176 8.418 . 0.658 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 374' ' ' ' G' . . . . . 0.436 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 117.295 8.55 . 0.319 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 375' ' ' ' U' . . . . . 0.438 " H2'" " O4'" ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 93.669 -8.45 . 0.919 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 376' ' ' ' U' . . . . . 0.594 ' C4 ' ' O6 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 93.477 -8.588 . 0.487 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.409 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 1' ' ' ALA . 6.3 t -175.91 146.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 67.2 t -125.75 136.87 59.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 66.3 t -124.39 -78.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 p 169.11 176.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.537 1.148 . . . . 0.0 110.035 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.8 133.58 3.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.6 -63.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.585 0.814 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -154.79 170.77 20.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -172.16 -44.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -178.0 -178.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.077 . . . . 0.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -125.2 -55.62 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -149.13 140.61 23.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.43 -139.55 7.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.53 120.28 0.97 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' C ' ' O2 ' ' B' ' 308' ' ' ' U' . 0.6 OUTLIER 179.11 144.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.413 ' N ' ' O2 ' ' B' ' 308' ' ' ' U' . 8.1 mtm180 -161.04 100.94 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -174.6 97.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -88.15 42.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.301 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.78 -38.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.975 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -147.25 50.59 1.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.367 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.482 ' CD1' ' HG2' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -101.4 89.05 3.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.503 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.3 OUTLIER -76.08 157.32 33.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -65.31 -9.49 24.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.3 29.82 4.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.446 ' HG3' ' CB ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -114.13 179.15 4.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.9 t -104.55 135.35 46.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.307 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.49 ' HB2' ' C6 ' ' B' ' 309' ' ' ' G' . . . -98.15 22.71 9.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.609 ' O ' ' C2 ' ' B' ' 306' ' ' ' U' . 11.4 t80 -123.96 -63.73 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 28.1 p -96.31 -10.23 28.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 108.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 83.47 -18.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.607 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 48.1 mt-10 -47.8 140.67 6.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.241 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.446 ' CB ' ' HG3' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -99.35 137.71 37.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.23 -45.41 1.14 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 39.3 p-80 -116.79 167.96 10.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.578 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -99.84 166.03 11.28 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.558 ' HB2' ' O6 ' ' B' ' 309' ' ' ' G' . . . -56.49 -45.97 80.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -9.21 25.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.415 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -119.1 16.37 13.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 18.0 t -69.92 131.54 89.14 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 108.353 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 0.79 8.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.503 ' HE2' ' C4 ' ' B' ' 306' ' ' ' U' . 1.6 mttt -93.84 -23.02 18.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.78 110.15 2.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 55.24 3.93 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.59 161.49 23.88 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.467 1.104 . . . . 0.0 110.25 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.74 175.74 18.22 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.521 1.138 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -170.9 8.7 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.971 0.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.99 165.99 30.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.227 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.75 103.07 1.67 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.66 17.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.6 ptt-85 -111.62 142.19 26.1 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' THR . 18.2 Cg_endo -75.0 130.88 13.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.376 1.724 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -65.42 74.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' PRO . 5.1 m -58.91 106.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.9 m -93.19 116.96 29.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.932 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -61.17 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.345 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 116.543 7.715 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 92.995 -8.932 . 0.517 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 117.101 8.334 . 0.637 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 O4'-C4'-C3' 93.0 -8.929 . 0.463 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 117.275 8.527 . 0.072 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 281' ' ' ' U' . . . . . 0.444 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 93.33 -8.693 . 0.229 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 282' ' ' AP7 . . . . . 0.457 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . 0.457 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.875 2 C1'-O4'-C4' 116.986 8.206 . 0.438 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.849 2 C1'-O4'-C4' 116.854 8.06 . 0.546 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 285' ' ' ' A' . . . . . 0.787 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 117.262 8.514 . 0.049 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 O4'-C4'-C3' 93.791 -8.363 . 0.562 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 287' ' ' ' U' . . . . . 0.462 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 O4'-C4'-C3' 92.718 -9.13 . 0.532 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 288' ' ' ' U' . . . . . 0.527 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 O4'-C4'-C3' 91.851 -9.749 . 0.546 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 289' ' ' ' G' . . . . . 0.527 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 92.307 -9.423 . 0.327 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 290' ' ' ' A' . . . . . 0.419 " H2'" " C5'" ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 91.713 -9.848 . 0.141 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 291' ' ' ' G' . . . . . 0.722 ' C2 ' ' C2 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 116.849 8.054 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 292' ' ' ' A' . . . . . 0.722 ' C2 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 O4'-C4'-C3' 92.711 -9.135 . 0.034 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 293' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 116.741 7.935 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . 0.434 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 117.319 8.577 . 0.756 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 295' ' ' ' C' . . . . . 0.434 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 93.948 -8.251 . 0.335 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 296' ' ' ' U' . . . . . 0.406 " H2'" " O4'" ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 C1'-O4'-C4' 117.012 8.236 . 0.51 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 297' ' ' ' A' . . . . . 0.787 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 O4'-C4'-C3' 94.029 -8.194 . 0.522 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 3 O4'-C4'-C3' 93.446 -8.61 . 0.328 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 299' ' ' ' C' . . . . . 0.594 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.976 3 O4'-C4'-C3' 92.089 -9.579 . 0.448 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 300' ' ' ' U' . . . . . 0.594 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.633 2 C1'-O4'-C4' 117.488 8.765 . 0.613 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 301' ' ' ' C' . . . . . 0.807 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.98 3 O4'-C4'-C3' 91.481 -10.013 . 0.151 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 302' ' ' ' U' . . . . . 0.807 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 117.163 8.404 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 303' ' ' ' G' . . . . . 0.638 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 91.637 -9.902 . 0.368 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 304' ' ' ' U' . . . . . 0.453 " O2'" ' OP1' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 93.532 -8.549 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 305' ' ' ' A' . . . . . 0.453 ' OP1' " O2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.907 1 O4'-C4'-C3' 91.139 -10.258 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 306' ' ' ' U' . . . . . 0.609 ' C2 ' ' O ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C3'--C2' 1.504 -1.938 1 O4'-C4'-C3' 91.615 -9.918 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 307' ' ' ' C' . . . . . 0.511 " C2'" ' OP2' ' B' ' 308' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.907 3 C1'-O4'-C4' 117.247 8.496 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 308' ' ' ' U' . . . . . 0.511 ' OP2' " C2'" ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 O4'-C4'-C3' 92.27 -9.45 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 309' ' ' ' G' . . . . . 0.558 ' O6 ' ' HB2' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -2.0 3 O4'-C4'-C3' 91.367 -10.095 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 310' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.258 -8.744 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 93.453 -8.605 . 0.277 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 312' ' ' ' G' . . . . . 0.533 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 116.389 7.544 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 313' ' ' ' G' . . . . . 0.568 " H2'" ' C8 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 117.273 8.525 . 0.085 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 314' ' ' ' A' . . . . . 0.653 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 C1'-O4'-C4' 116.754 7.948 . 0.564 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 315' ' ' ' C' . . . . . 0.653 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.302 -12.591 2 C1'-O4'-C4' 119.542 11.046 . 0.01 1b . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 316' ' ' ' C' . . . . . 0.491 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.978 3 C1'-O4'-C4' 116.532 7.702 . 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 317' ' ' ' C' . . . . . 0.491 ' C6 ' " H2'" ' B' ' 316' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 117.295 8.55 . 0.469 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 318' ' ' ' G' . . . . . 0.799 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 117.091 8.324 . 0.329 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.488 2.929 2 O4'-C4'-C3' 92.034 -9.619 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 320' ' ' ' G' . . . . . 0.799 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 115.12 6.133 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 321' ' ' ' G' . . . . . 0.667 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.983 3 O4'-C4'-C3' 92.052 -9.606 . 0.113 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 322' ' ' ' U' . . . . . 0.667 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.906 3 O4'-C4'-C3' 91.025 -10.34 . 0.421 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 323' ' ' ' G' . . . . . 0.502 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 C1'-O4'-C4' 116.561 7.735 . 0.373 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 324' ' ' ' G' . . . . . 0.738 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.956 0 C3'-C2'-O2' 102.729 -3.645 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 325' ' ' ' A' . . . . . 0.738 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.982 2 C1'-O4'-C4' 117.432 8.702 . 0.054 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 326' ' ' ' A' . . . . . 0.608 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 C1'-O4'-C4' 116.684 7.871 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.856 8.062 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 328' ' ' ' U' . . . . . 0.478 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.712 7.903 . 0.7 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 329' ' ' ' G' . . . . . 0.589 ' C6 ' ' OP2' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 O4'-C4'-C3' 92.711 -9.135 . 0.058 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 330' ' ' ' U' . . . . . 0.47 " O5'" ' C6 ' ' B' ' 330' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.302 -12.567 3 C1'-O4'-C4' 119.008 10.454 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear build full ' B' B ' 331' ' ' ' G' . . . . . 0.589 ' OP2' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 93.572 -8.52 . 0.13 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 332' ' ' ' A' . . . . . 0.44 ' N9 ' " H2'" ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 116.824 8.027 . 0.234 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 333' ' ' ' A' . . . . . 0.585 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.347 7.497 . 0.036 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 334' ' ' ' G' . . . . . 0.585 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 116.702 7.892 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 335' ' ' ' U' . . . . . 0.622 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.255 8.505 . 0.517 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 336' ' ' ' U' . . . . . 0.622 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 C1'-O4'-C4' 117.05 8.278 . 0.542 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 337' ' ' ' C' . . . . . 0.618 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.832 1 O4'-C4'-C3' 91.055 -10.318 . 0.503 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 338' ' ' ' G' . . . . . 0.823 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 90.385 -10.796 . 0.401 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 339' ' ' ' G' . . . . . 0.823 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 99.304 -11.44 OUTLIER-EPSILON 0.022 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 340' ' ' ' A' . . . . . 0.794 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.478 2.06 2 O4'-C4'-C3' 92.443 -9.327 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 341' ' ' ' A' . . . . . 0.794 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.865 2 C1'-O4'-C4' 117.264 8.515 . 0.649 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.631 7.813 . 0.724 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 343' ' ' ' A' . . . . . 0.62 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 C1'-O4'-C4' 117.185 8.428 . 0.744 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 344' ' ' ' C' . . . . . 0.62 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 O4'-C4'-C3' 93.788 -8.366 . 0.584 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 345' ' ' ' C' . . . . . 0.601 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 93.708 -8.423 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 346' ' ' ' C' . . . . . 0.662 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 90.799 -10.501 . 0.535 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 347' ' ' ' G' . . . . . 0.756 ' C6 ' ' C6 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 93.484 -8.583 . 0.33 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 348' ' ' ' G' . . . . . 0.756 ' C6 ' ' C6 ' ' B' ' 347' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.039 2 O4'-C4'-C3' 93.142 -8.827 . 0.405 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 349' ' ' ' C' . . . . . 0.642 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.996 3 O4'-C4'-C3' 91.456 -10.031 . 0.019 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 350' ' ' ' C' . . . . . 0.44 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.029 3 O4'-C4'-C3' 91.986 -9.653 . 0.194 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 C1'-O4'-C4' 117.203 8.448 . 0.445 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.816 3 O4'-C4'-C3' 92.052 -9.606 . 0.502 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.032 3 C1'-O4'-C4' 117.116 8.351 . 0.184 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 354' ' ' ' A' . . . . . 0.534 ' C6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.976 3 C1'-O4'-C4' 116.976 8.195 . 0.499 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 355' ' ' ' C' . . . . . 0.534 ' N4 ' ' C6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 O4'-C4'-C3' 93.149 -8.822 . 0.521 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 356' ' ' ' C' . . . . . 0.468 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 O4'-C4'-C3' 93.489 -8.58 . 0.252 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 357' ' ' ' C' . . . . . 0.468 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 116.121 7.245 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 358' ' ' ' U' . . . . . 0.45 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.998 3 O4'-C4'-C3' 91.55 -9.964 . 0.105 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 359' ' ' ' G' . . . . . 0.477 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 O4'-C4'-C3' 93.181 -8.799 . 0.239 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 360' ' ' ' G' . . . . . 0.477 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 93.971 -8.235 . 0.272 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 361' ' ' ' G' . . . . . 0.471 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 93.409 -8.636 . 0.261 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 362' ' ' ' A' . . . . . 0.471 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 117.236 8.484 . 0.527 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 363' ' ' ' G' . . . . . 0.468 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 117.224 8.471 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 1 C1'-O4'-C4' 104.849 -5.279 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 0 C3'-C2'-O2' 102.715 -3.65 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 O4'-C4'-C3' 94.206 -8.067 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 117.07 8.3 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 368' ' ' ' C' . . . . . 0.428 ' C4 ' ' N4 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 C1'-O4'-C4' 116.984 8.204 . 0.521 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 369' ' ' ' C' . . . . . 0.428 ' N4 ' ' C4 ' ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 117.006 8.228 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 O4'-C4'-C3' 92.496 -9.288 . 0.282 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 116.811 8.013 . 0.149 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 116.838 8.042 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 373' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 117.191 8.435 . 0.347 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 374' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 3 O4'-C4'-C3' 93.376 -8.66 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.057 3 O4'-C4'-C3' 91.387 -10.081 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 376' ' ' ' U' . . . . . 0.403 " O3'" ' OP1' ' B' ' 309' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 O4'-C4'-C3' 92.093 -9.576 . 0.335 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.0 t -151.95 130.6 12.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.111 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -131.56 132.7 62.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.425 1.078 . . . . 0.0 109.241 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.4 m -73.96 125.68 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.76 111.85 6.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.5 -128.77 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.557 1.161 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -143.36 149.51 37.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.774 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.72 137.46 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -74.31 106.69 6.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.05 104.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.24 117.46 4.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 73.62 10.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.4 177.98 35.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.24 84.31 0.33 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -165.87 142.64 5.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 110.344 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -113.95 -58.63 2.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.439 ' NE ' ' O2 ' ' B' ' 308' ' ' ' U' . 1.3 tpt180 -146.13 -66.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.598 ' O ' ' C ' ' A' ' 19' ' ' SER . 2.9 mtt85 -108.06 50.8 0.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.598 ' C ' ' O ' ' A' ' 18' ' ' ARG . 29.2 t -21.5 -50.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.558 ' N ' ' O ' ' A' ' 18' ' ' ARG . 1.4 tt0 -160.89 52.28 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.681 HD21 ' C2 ' ' B' ' 309' ' ' ' G' . 0.0 OUTLIER -67.0 97.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 9.9 t0 -73.65 155.36 39.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -4.94 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -132.99 24.11 4.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.52 1.137 . . . . 0.0 109.362 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.427 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 14.1 tt0 -117.83 138.63 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.47 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 44.9 t -62.19 132.87 54.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 108.308 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.444 ' CB ' ' C6 ' ' B' ' 309' ' ' ' G' . . . -96.26 28.29 3.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.609 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 33.3 t80 -128.66 -62.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 27.5 p -95.94 -14.01 23.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 108.265 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.1 23.37 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.563 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 47.3 mt-10 -87.1 117.05 25.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 0.6 OUTLIER -74.42 119.93 19.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.41 -59.29 0.5 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.072 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 31.0 p-80 -104.34 159.31 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.744 . . . . 0.0 109.599 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -93.11 163.19 13.73 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.529 ' CB ' ' O6 ' ' B' ' 309' ' ' ' G' . . . -59.62 -36.24 75.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -7.25 22.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.92 27.61 4.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 38.0 t -74.13 131.2 81.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 108.217 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 1.21 8.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.609 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -84.0 -25.54 29.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.356 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -40.95 100.49 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 107.45 2.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.531 1.806 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 58.84 111.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.404 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . 173.28 170.43 36.86 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.404 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -75.04 161.18 95.34 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.015 0.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 136.03 29.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.98 173.84 50.06 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 59.05 5.09 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.443 1.759 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.6 85.24 0.19 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.233 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 79.48 2.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -160.88 64.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.235 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.6 p 43.03 77.24 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.396 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.9 t -177.21 88.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.1 137.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.265 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 117.047 8.275 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 277' ' ' ' G' . . . . . 0.466 " H2'" " O4'" ' B' ' 278' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.812 2 O4'-C4'-C3' 93.17 -8.807 . 0.653 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 278' ' ' ' C' . . . . . 0.466 " O4'" " H2'" ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 117.153 8.392 . 0.307 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 93.332 -8.691 . 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 117.14 8.378 . 0.226 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 281' ' ' ' U' . . . . . 0.405 " H2'" " O4'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.505 -1.86 2 O4'-C4'-C3' 93.085 -8.868 . 0.848 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 282' ' ' AP7 . . . . . 0.419 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . 0.419 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 O4'-C4'-C3' 93.795 -8.361 . 0.344 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . 0.507 ' C2 ' ' N2 ' ' B' ' 298' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 C1'-O4'-C4' 117.254 8.505 . 0.112 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 285' ' ' ' A' . . . . . 0.787 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 117.268 8.52 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 286' ' ' ' G' . . . . . 0.447 " H2'" " O4'" ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.072 2 O4'-C4'-C3' 92.535 -9.261 . 0.803 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 287' ' ' ' U' . . . . . 0.447 " O4'" " H2'" ' B' ' 286' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 O4'-C4'-C3' 93.256 -8.745 . 0.538 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 288' ' ' ' U' . . . . . 0.739 ' C4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 O4'-C4'-C3' 91.596 -9.931 . 0.621 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 289' ' ' ' G' . . . . . 0.739 ' C6 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 C1'-O4'-C4' 117.169 8.41 . 0.453 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 290' ' ' ' A' . . . . . 0.423 " H2'" " C5'" ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 117.009 8.232 . 0.053 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 291' ' ' ' G' . . . . . 0.624 ' C5 ' ' C6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 117.092 8.324 . 0.029 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 292' ' ' ' A' . . . . . 0.624 ' C6 ' ' C5 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 O4'-C4'-C3' 93.629 -8.479 . 0.283 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 293' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 1 C1'-O4'-C4' 115.809 6.899 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . 0.426 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 117.173 8.414 . 0.584 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 295' ' ' ' C' . . . . . 0.426 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 O4'-C4'-C3' 93.979 -8.23 . 0.269 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 92.268 -9.452 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 297' ' ' ' A' . . . . . 0.787 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 O4'-C4'-C3' 93.42 -8.628 . 0.69 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . 0.507 ' N2 ' ' C2 ' ' B' ' 284' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 92.77 -9.093 . 0.38 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 299' ' ' ' C' . . . . . 0.422 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.893 3 O4'-C4'-C3' 92.177 -9.517 . 0.51 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 300' ' ' ' U' . . . . . 0.533 ' C4 ' ' N4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.785 2 C1'-O4'-C4' 117.481 8.757 . 0.689 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 301' ' ' ' C' . . . . . 0.797 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.985 3 O4'-C4'-C3' 92.733 -9.119 . 0.18 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 302' ' ' ' U' . . . . . 0.797 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 C1'-O4'-C4' 117.293 8.548 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 303' ' ' ' G' . . . . . 0.455 " O4'" " H2'" ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 O4'-C4'-C3' 92.187 -9.509 . 0.472 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 304' ' ' ' U' . . . . . 0.452 ' C6 ' " H2'" ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 94.045 -8.182 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 305' ' ' ' A' . . . . . 0.438 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.047 3 O4'-C4'-C3' 91.904 -9.711 . 0.107 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 306' ' ' ' U' . . . . . 0.535 " O2'" ' OP1' ' B' ' 307' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.007 2 O4'-C4'-C3' 92.62 -9.2 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 307' ' ' ' C' . . . . . 0.535 ' OP1' " O2'" ' B' ' 306' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 92.564 -9.24 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 308' ' ' ' U' . . . . . 0.439 ' O2 ' ' NE ' ' A' ' 17' ' ' ARG . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 O4'-C4'-C3' 93.256 -8.746 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 309' ' ' ' G' . . . . . 0.681 ' C2 ' HD21 ' A' ' 21' ' ' LEU . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 O4'-C4'-C3' 90.106 -10.996 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 310' ' ' ' G' . . . . . 0.495 ' C8 ' " C3'" ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 O4'-C4'-C3' 91.308 -10.137 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 O4'-C4'-C3' 92.453 -9.319 . 0.276 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 312' ' ' ' G' . . . . . 0.53 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.797 2 C1'-O4'-C4' 116.339 7.488 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 313' ' ' ' G' . . . . . 0.53 ' C5 ' ' C6 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.865 2 C1'-O4'-C4' 116.914 8.127 . 0.217 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 314' ' ' ' A' . . . . . 0.657 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.761 7.956 . 0.577 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 315' ' ' ' C' . . . . . 0.657 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.299 -12.803 2 C1'-O4'-C4' 119.578 11.087 . 0.014 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 1 C1'-O4'-C4' 115.646 6.718 . 0.169 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 317' ' ' ' C' . . . . . 0.646 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 117.179 8.421 . 0.298 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 318' ' ' ' G' . . . . . 0.806 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 117.299 8.554 . 0.379 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.497 3.665 2 O4'-C4'-C3' 92.686 -9.153 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 320' ' ' ' G' . . . . . 0.806 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.982 3 C1'-O4'-C4' 114.964 5.96 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 321' ' ' ' G' . . . . . 0.616 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.921 3 O4'-C4'-C3' 92.444 -9.326 . 0.105 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 322' ' ' ' U' . . . . . 0.616 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 92.609 -9.208 . 0.285 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 323' ' ' ' G' . . . . . 0.467 " H3'" H5'' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.48 2.232 2 O4'-C4'-C3' 93.832 -8.334 . 0.054 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 324' ' ' ' G' . . . . . 0.711 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.407 2 C1'-O4'-C4' 116.915 8.127 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 325' ' ' ' A' . . . . . 0.711 ' C6 ' ' C6 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.369 2 C1'-O4'-C4' 117.393 8.659 . 0.564 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 326' ' ' ' A' . . . . . 0.618 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 116.638 7.82 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 327' ' ' ' C' . . . . . 0.415 ' C4 ' ' C6 ' ' B' ' 326' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.808 2 C1'-O4'-C4' 117.15 8.388 . 0.526 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 328' ' ' ' U' . . . . . 0.506 ' N3 ' ' C5 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 116.724 7.915 . 0.777 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 329' ' ' ' G' . . . . . 0.512 ' N1 ' ' N6 ' ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 O4'-C4'-C3' 91.564 -9.955 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 330' ' ' ' U' . . . . . 0.479 ' C5 ' ' C4 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.018 2 C1'-O4'-C4' 116.736 7.929 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 331' ' ' ' G' . . . . . 0.652 ' N2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 C1'-O4'-C4' 117.264 8.516 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 332' ' ' ' A' . . . . . 0.652 ' C2 ' ' N2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 C1'-O4'-C4' 116.818 8.02 . 0.03 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 333' ' ' ' A' . . . . . 0.6 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 116.928 8.142 . 0.2 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 334' ' ' ' G' . . . . . 0.6 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 116.5 7.667 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 335' ' ' ' U' . . . . . 0.653 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 C1'-O4'-C4' 117.266 8.518 . 0.433 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 336' ' ' ' U' . . . . . 0.653 ' C4 ' ' N3 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.177 2 C1'-O4'-C4' 117.148 8.387 . 0.45 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 337' ' ' ' C' . . . . . 0.671 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.062 2 C1'-O4'-C4' 117.172 8.413 . 0.334 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 338' ' ' ' G' . . . . . 0.703 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.043 2 O4'-C4'-C3' 90.271 -10.878 . 0.307 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 339' ' ' ' G' . . . . . 0.703 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 100.483 -10.13 OUTLIER-EPSILON 0.01 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 340' ' ' ' A' . . . . . 0.56 ' N7 ' ' N3 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.481 2.354 3 O4'-C4'-C3' 93.322 -8.698 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 341' ' ' ' A' . . . . . 0.503 ' C5 ' ' C6 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.223 2 C1'-O4'-C4' 117.386 8.651 . 0.248 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 116.702 7.891 . 0.098 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 343' ' ' ' A' . . . . . 0.634 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 C1'-O4'-C4' 117.244 8.493 . 0.657 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 344' ' ' ' C' . . . . . 0.634 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 O4'-C4'-C3' 93.897 -8.288 . 0.548 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 345' ' ' ' C' . . . . . 0.774 ' C4 ' ' C5 ' ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.796 7.996 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 346' ' ' ' C' . . . . . 0.784 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.879 1 O4'-C4'-C3' 90.605 -10.639 . 0.742 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 347' ' ' ' G' . . . . . 0.659 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 94.153 -8.105 . 0.299 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 348' ' ' ' G' . . . . . 0.659 ' C5 ' ' C6 ' ' B' ' 347' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 91.699 -9.858 . 0.07 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 349' ' ' ' C' . . . . . 0.628 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 91.197 -10.217 . 0.042 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 350' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 3 O4'-C4'-C3' 91.258 -10.173 . 0.541 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 117.183 8.425 . 0.356 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 352' ' ' ' C' . . . . . 0.451 ' N4 ' ' O4 ' ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.888 3 O4'-C4'-C3' 92.81 -9.064 . 0.571 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 117.285 8.539 . 0.337 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 354' ' ' ' A' . . . . . 0.492 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 117.16 8.4 . 0.406 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 355' ' ' ' C' . . . . . 0.492 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.014 2 O4'-C4'-C3' 93.719 -8.415 . 0.581 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 356' ' ' ' C' . . . . . 0.437 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 93.788 -8.366 . 0.174 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 357' ' ' ' C' . . . . . 0.467 ' C4 ' ' C5 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.154 7.282 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 358' ' ' ' U' . . . . . 0.467 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.886 3 O4'-C4'-C3' 91.677 -9.874 . 0.099 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 359' ' ' ' G' . . . . . 0.506 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.07 2 O4'-C4'-C3' 92.268 -9.452 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 360' ' ' ' G' . . . . . 0.506 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 O4'-C4'-C3' 94.055 -8.175 . 0.021 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 361' ' ' ' G' . . . . . 0.466 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 O4'-C4'-C3' 93.85 -8.321 . 0.467 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 362' ' ' ' A' . . . . . 0.473 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 C1'-O4'-C4' 117.181 8.423 . 0.489 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 363' ' ' ' G' . . . . . 0.473 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.883 2 C1'-O4'-C4' 117.164 8.405 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 1 C1'-O4'-C4' 103.021 -7.31 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 365' ' ' ' G' . . . . . 0.451 ' N3 ' " H2'" ' B' ' 365' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.008 1 C1'-O4'-C4' 102.538 -7.847 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 1 C1'-O4'-C4' 104.076 -6.138 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 116.868 8.076 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 368' ' ' ' C' . . . . . 0.43 ' C4 ' ' N4 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 93.815 -8.346 . 0.506 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 369' ' ' ' C' . . . . . 0.43 ' N4 ' ' C4 ' ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.939 8.154 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 92.659 -9.172 . 0.43 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 116.869 8.077 . 0.107 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 117.09 8.322 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 373' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.043 8.269 . 0.131 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 374' ' ' ' G' . . . . . 0.474 ' C6 ' ' C4 ' ' B' ' 375' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 94.226 -8.053 . 0.319 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 375' ' ' ' U' . . . . . 0.474 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.919 3 O4'-C4'-C3' 93.08 -8.871 . 0.547 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 376' ' ' ' U' . . . . . 0.495 " C3'" ' C8 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 117.192 8.436 . 0.604 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m -154.89 159.72 40.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.522 1.139 . . . . 0.0 110.39 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -156.54 146.62 11.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.44 -33.21 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.23 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -168.24 -59.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.34 -151.2 22.45 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -175.31 167.92 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 0.733 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -132.29 172.02 12.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -178.89 153.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.76 154.16 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER 177.74 165.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.491 ' O ' ' CZ ' ' A' ' 11' ' ' ARG . 10.2 mt-30 -150.74 161.49 42.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.25 -176.04 46.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.75 -169.61 11.69 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 170.65 166.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.75 . . . . 0.0 110.337 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.99 -177.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.44 -63.01 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -100.26 39.76 1.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.85 35.13 14.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 22' ' ' ASP . 0.5 OUTLIER 60.67 40.16 16.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -39.37 97.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.498 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.5 OUTLIER -73.49 151.38 41.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -70.15 0.44 6.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.581 1.176 . . . . 0.0 110.243 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -135.42 22.67 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.498 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -121.15 141.1 51.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 47.2 t -72.86 132.38 43.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 108.236 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.745 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -95.41 27.1 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.469 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 17.4 t80 -127.19 -54.91 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 111.048 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 27.4 p -104.24 -21.74 13.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 8.9 mmtt 84.71 24.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.479 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 41.9 mt-10 -88.79 120.84 30.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 118.14 20.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 146.76 -58.58 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.563 1.164 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.43 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 30.6 p-80 -103.35 167.02 10.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.787 . . . . 0.0 109.537 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -102.27 159.19 15.62 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.511 ' CB ' ' O6 ' ' B' ' 309' ' ' ' G' . . . -58.93 -33.02 70.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -9.27 24.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.89 31.16 3.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 37.2 t -72.67 134.02 82.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 108.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.463 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.05 2.98 6.05 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.442 1.759 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -106.0 -20.13 13.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -81.8 126.63 74.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.373 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -74.99 72.86 4.5 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.802 . . . . 0.0 111.02 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.42 86.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' PRO . . . 52.69 171.71 0.03 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.581 1.176 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.411 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -74.99 135.88 42.61 Favored 'Cis proline' 0 C--N 1.359 1.103 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.987 0.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -126.15 103.83 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.32 -178.86 30.02 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.143 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 129.9 12.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.34 94.99 0.52 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.44 ' HA ' ' OP1' ' B' ' 357' ' ' ' C' . 18.2 Cg_endo -75.03 149.2 36.22 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 176.75 76.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.418 ' CG2' H5'' ' B' ' 357' ' ' ' C' . 1.8 t -169.88 116.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.376 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.19 77.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.671 HD22 " O4'" ' B' ' 276' ' ' ' G' . 0.4 OUTLIER -174.86 68.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.636 1.21 . . . . 0.0 109.242 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . 0.671 " O4'" HD22 ' A' ' 55' ' ' LEU . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.723 7.915 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 O4'-C4'-C3' 92.292 -9.434 . 0.711 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.58 -8.514 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 O4'-C4'-C3' 93.567 -8.524 . 0.493 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.034 2 C1'-O4'-C4' 117.169 8.41 . 0.183 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 281' ' ' ' U' . . . . . 0.446 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -2.037 2 O4'-C4'-C3' 93.46 -8.6 . 0.208 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 282' ' ' AP7 . . . . . 0.446 ' N6 ' ' O4 ' ' B' ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . 0.42 " O4'" " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 117.281 8.534 . 0.334 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 117.29 8.545 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 285' ' ' ' A' . . . . . 0.746 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 116.979 8.199 . 0.279 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 286' ' ' ' G' . . . . . 0.407 " H2'" " O4'" ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.877 2 O4'-C4'-C3' 92.639 -9.186 . 0.882 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 287' ' ' ' U' . . . . . 0.529 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 O4'-C4'-C3' 92.57 -9.236 . 0.831 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 288' ' ' ' U' . . . . . 0.529 ' C4 ' ' C4 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 92.832 -9.048 . 0.801 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 289' ' ' ' G' . . . . . 0.485 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 92.423 -9.341 . 0.456 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 290' ' ' ' A' . . . . . 0.638 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 115.814 6.904 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 291' ' ' ' G' . . . . . 0.657 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 117.278 8.531 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 292' ' ' ' A' . . . . . 0.657 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 O4'-C4'-C3' 92.108 -9.566 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 293' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 117.208 8.454 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.819 2 C1'-O4'-C4' 117.09 8.323 . 0.328 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 295' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.858 2 O4'-C4'-C3' 93.807 -8.352 . 0.372 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 92.489 -9.294 . 0.65 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 297' ' ' ' A' . . . . . 0.746 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 92.837 -9.045 . 0.689 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . 0.404 " H2'" " O4'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.916 3 O4'-C4'-C3' 92.185 -9.511 . 0.292 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 299' ' ' ' C' . . . . . 0.621 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.911 3 O4'-C4'-C3' 92.155 -9.532 . 0.432 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 300' ' ' ' U' . . . . . 0.621 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.821 2 C1'-O4'-C4' 117.461 8.734 . 0.66 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 301' ' ' ' C' . . . . . 0.815 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.824 3 O4'-C4'-C3' 92.122 -9.555 . 0.168 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 302' ' ' ' U' . . . . . 0.815 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 117.143 8.381 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 303' ' ' ' G' . . . . . 0.503 ' C5 ' ' C5 ' ' B' ' 304' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.148 2 O4'-C4'-C3' 92.201 -9.499 . 0.305 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 304' ' ' ' U' . . . . . 0.503 ' C5 ' ' C5 ' ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.924 1 C1'-O4'-C4' 115.72 6.8 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 305' ' ' ' A' . . . . . 0.401 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 92.826 -9.053 . 0.01 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 306' ' ' ' U' . . . . . 0.482 " O2'" ' OP1' ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 92.486 -9.296 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 307' ' ' ' C' . . . . . 0.482 ' OP1' " O2'" ' B' ' 306' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 93.361 -8.671 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 308' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 O4'-C4'-C3' 92.194 -9.504 . 0.071 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 309' ' ' ' G' . . . . . 0.511 ' O6 ' ' CB ' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 90.495 -10.718 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 310' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 91.356 -10.103 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 93.111 -8.849 . 0.349 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 312' ' ' ' G' . . . . . 0.502 ' C2 ' ' C4 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 C1'-O4'-C4' 116.348 7.498 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 313' ' ' ' G' . . . . . 0.52 ' N1 ' ' C6 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.06 2 C1'-O4'-C4' 117.126 8.363 . 0.184 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 314' ' ' ' A' . . . . . 0.627 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 C1'-O4'-C4' 116.863 8.07 . 0.397 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 315' ' ' ' C' . . . . . 0.627 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.296 -13.044 2 C1'-O4'-C4' 119.646 11.162 . 0.021 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 115.991 7.101 . 0.225 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 317' ' ' ' C' . . . . . 0.649 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 116.881 8.09 . 0.442 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 318' ' ' ' G' . . . . . 0.816 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 C1'-O4'-C4' 117.28 8.533 . 0.553 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.491 3.178 2 O4'-C4'-C3' 92.155 -9.532 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 320' ' ' ' G' . . . . . 0.816 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 C1'-O4'-C4' 115.194 6.216 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 321' ' ' ' G' . . . . . 0.698 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.052 3 O4'-C4'-C3' 91.939 -9.687 . 0.124 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 322' ' ' ' U' . . . . . 0.698 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 O4'-C4'-C3' 90.765 -10.525 . 0.479 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 323' ' ' ' G' . . . . . 0.485 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 116.634 7.816 . 0.342 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 324' ' ' ' G' . . . . . 0.722 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.94 0 C1'-O4'-C4' 112.926 3.696 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 325' ' ' ' A' . . . . . 0.722 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.219 2 C1'-O4'-C4' 117.442 8.713 . 0.038 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 326' ' ' ' A' . . . . . 0.653 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 C1'-O4'-C4' 116.556 7.729 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.92 8.134 . 0.529 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 328' ' ' ' U' . . . . . 0.62 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 93.525 -8.553 . 0.874 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 329' ' ' ' G' . . . . . 0.62 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 O4'-C4'-C3' 92.753 -9.105 . 0.203 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 330' ' ' ' U' . . . . . 0.438 H5'' " H3'" ' B' ' 329' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.303 -12.504 3 C1'-O4'-C4' 119.183 10.648 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B ' 331' ' ' ' G' . . . . . 0.607 ' OP2' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.883 2 O4'-C4'-C3' 93.991 -8.221 . 0.299 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 332' ' ' ' A' . . . . . 0.465 ' C8 ' " H2'" ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 94.089 -8.151 . 0.221 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 333' ' ' ' A' . . . . . 0.503 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.741 7.935 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 334' ' ' ' G' . . . . . 0.503 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 C1'-O4'-C4' 116.386 7.54 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 335' ' ' ' U' . . . . . 0.607 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 C1'-O4'-C4' 117.21 8.455 . 0.628 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 336' ' ' ' U' . . . . . 0.607 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.934 3 C1'-O4'-C4' 117.051 8.278 . 0.328 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 337' ' ' ' C' . . . . . 0.614 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 O4'-C4'-C3' 91.188 -10.223 . 0.54 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 338' ' ' ' G' . . . . . 0.825 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.095 2 O4'-C4'-C3' 90.296 -10.86 . 0.335 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 339' ' ' ' G' . . . . . 0.825 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 99.267 -11.481 OUTLIER-EPSILON 0.067 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 340' ' ' ' A' . . . . . 0.808 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.48 2.216 2 O4'-C4'-C3' 92.238 -9.473 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 341' ' ' ' A' . . . . . 0.808 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.033 2 C1'-O4'-C4' 117.308 8.565 . 0.568 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.033 2 C1'-O4'-C4' 116.759 7.955 . 0.169 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 343' ' ' ' A' . . . . . 0.586 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.835 2 C1'-O4'-C4' 116.848 8.053 . 0.683 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 344' ' ' ' C' . . . . . 0.586 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 93.431 -8.621 . 0.55 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 345' ' ' ' C' . . . . . 0.71 ' C4 ' ' C5 ' ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 O4'-C4'-C3' 92.962 -8.956 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 346' ' ' ' C' . . . . . 0.77 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.996 1 O4'-C4'-C3' 91.098 -10.287 . 0.69 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 347' ' ' ' G' . . . . . 0.647 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 O4'-C4'-C3' 93.562 -8.527 . 0.253 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 348' ' ' ' G' . . . . . 0.649 ' N2 ' ' C2 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 O4'-C4'-C3' 92.768 -9.094 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 349' ' ' ' C' . . . . . 0.621 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.073 2 O4'-C4'-C3' 91.032 -10.335 . 0.057 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 350' ' ' ' C' . . . . . 0.419 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.946 3 O4'-C4'-C3' 91.699 -9.858 . 0.451 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 C1'-O4'-C4' 117.183 8.426 . 0.379 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 O4'-C4'-C3' 93.502 -8.57 . 0.539 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 353' ' ' ' A' . . . . . 0.462 " H2'" " O4'" ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 117.316 8.573 . 0.34 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 354' ' ' ' A' . . . . . 0.496 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.926 8.14 . 0.639 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 355' ' ' ' C' . . . . . 0.496 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 93.321 -8.699 . 0.592 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 356' ' ' ' C' . . . . . 0.469 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 92.11 -9.565 . 0.08 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 357' ' ' ' C' . . . . . 0.469 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 116.121 7.246 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 358' ' ' ' U' . . . . . 0.465 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 O4'-C4'-C3' 93.658 -8.459 . 0.219 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 359' ' ' ' G' . . . . . 0.498 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 O4'-C4'-C3' 93.11 -8.85 . 0.409 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 360' ' ' ' G' . . . . . 0.498 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 93.544 -8.54 . 0.297 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 361' ' ' ' G' . . . . . 0.479 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 93.821 -8.342 . 0.355 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 362' ' ' ' A' . . . . . 0.507 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 117.042 8.269 . 0.538 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 363' ' ' ' G' . . . . . 0.507 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.365 2 C1'-O4'-C4' 117.088 8.32 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.023 1 C1'-O4'-C4' 104.686 -5.459 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 365' ' ' ' G' . . . . . 0.455 ' N3 ' " C2'" ' B' ' 365' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.087 2 C1'-O4'-C4' 116.188 7.32 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 0 C3'-C2'-O2' 102.723 -3.647 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 C1'-O4'-C4' 117.034 8.26 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 368' ' ' ' C' . . . . . 0.41 ' C4 ' ' N4 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 117.127 8.363 . 0.55 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 369' ' ' ' C' . . . . . 0.41 ' N4 ' ' C4 ' ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.858 2 C1'-O4'-C4' 116.927 8.142 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.018 2 O4'-C4'-C3' 92.68 -9.157 . 0.445 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 116.905 8.117 . 0.281 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.04 2 C1'-O4'-C4' 117.033 8.259 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 373' ' ' ' G' . . . . . 0.479 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 117.165 8.406 . 0.031 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 374' ' ' ' G' . . . . . 0.631 ' C6 ' ' C4 ' ' B' ' 375' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 C1'-O4'-C4' 116.988 8.209 . 0.181 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 375' ' ' ' U' . . . . . 0.631 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 O4'-C4'-C3' 92.247 -9.466 . 0.746 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.691 -9.149 . 0.403 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.3 m -148.99 160.13 43.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 3' ' ' VAL . 22.3 m -42.94 112.31 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 77.1 t -88.72 150.75 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m -102.18 -174.85 2.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.573 1.171 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.61 106.04 1.86 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.7 98.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.42 177.4 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -142.97 151.37 40.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -123.9 124.33 42.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.251 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -115.35 150.59 36.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.14 83.39 1.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.83 152.5 20.75 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.6 141.13 12.3 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -142.81 153.86 43.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 110.279 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 63.82 170.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -67.45 89.21 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.258 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.54 ' C ' ' H ' ' A' ' 20' ' ' GLN . 8.3 mtt85 40.3 43.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 20' ' ' GLN . 0.6 OUTLIER 67.62 -45.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.038 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.54 ' H ' ' C ' ' A' ' 18' ' ' ARG . 3.2 mm-40 160.22 34.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.358 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.785 HD11 ' HB2' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -43.45 103.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.497 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.2 OUTLIER -77.08 149.2 35.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -64.28 -9.86 20.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.15 30.47 5.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.409 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -118.79 176.25 5.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 48.8 t -111.13 131.03 55.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 108.289 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.785 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -93.69 23.66 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 8.0 t80 -123.48 -64.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.808 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 26.3 p -97.01 -14.01 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 89.29 -21.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.808 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -47.19 154.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -110.94 142.68 42.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.64 -43.78 1.31 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.12 . . . . 0.0 110.978 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 29.0 p-80 -117.85 172.94 7.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.767 . . . . 0.0 109.594 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -106.03 162.82 13.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 108.012 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.489 ' HB1' " H1'" ' B' ' 307' ' ' ' C' . . . -58.24 -40.19 81.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -9.36 47.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.96 17.3 8.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.553 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 34.0 t -67.77 133.7 92.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.361 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.456 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.01 1.33 7.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.538 1.81 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -85.72 -23.7 27.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.231 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.454 ' NZ ' ' C2 ' ' B' ' 307' ' ' ' C' . 1.2 mmtt -47.43 104.87 0.43 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -178.04 3.87 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.94 120.75 21.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.58 178.72 34.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.59 1.181 . . . . 0.0 111.031 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 158.14 99.19 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.972 -0.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -173.81 111.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.71 89.25 2.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 148.38 34.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.449 1.762 . . . . 0.0 110.951 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -93.45 120.32 66.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.255 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 170.15 21.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -75.61 162.42 28.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 53' ' ' THR . 9.2 t -150.58 69.06 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.394 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.7 p -159.51 140.09 12.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.42 96.57 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 tp . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.994 8.216 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.847 2 O4'-C4'-C3' 93.077 -8.874 . 0.871 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 O4'-C4'-C3' 93.452 -8.605 . 0.44 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . 0.407 ' C6 ' ' C6 ' ' B' ' 280' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.853 2 O4'-C4'-C3' 92.175 -9.518 . 0.629 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 280' ' ' ' G' . . . . . 0.407 ' C6 ' ' C6 ' ' B' ' 279' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 117.262 8.513 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 281' ' ' ' U' . . . . . 0.452 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 O4'-C4'-C3' 93.154 -8.818 . 0.248 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 282' ' ' AP7 . . . . . 0.48 ' C2 ' ' O2 ' ' B' ' 300' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . 0.447 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.976 8.196 . 0.384 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . 0.4 ' C2 ' ' N2 ' ' B' ' 298' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 117.257 8.507 . 0.604 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 285' ' ' ' A' . . . . . 0.797 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 C1'-O4'-C4' 117.231 8.479 . 0.073 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 286' ' ' ' G' . . . . . 0.467 " H2'" " O4'" ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 O4'-C4'-C3' 92.979 -8.944 . 0.787 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 287' ' ' ' U' . . . . . 0.558 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 O4'-C4'-C3' 93.802 -8.356 . 0.512 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 288' ' ' ' U' . . . . . 0.597 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.037 2 O4'-C4'-C3' 93.15 -8.822 . 0.706 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 289' ' ' ' G' . . . . . 0.597 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.056 2 O4'-C4'-C3' 93.677 -8.445 . 0.335 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 290' ' ' ' A' . . . . . 0.649 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 116.041 7.157 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 291' ' ' ' G' . . . . . 0.726 ' C5 ' ' C6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 C1'-O4'-C4' 116.885 8.095 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 292' ' ' ' A' . . . . . 0.726 ' C6 ' ' C5 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 C1'-O4'-C4' 117.1 8.333 . 0.295 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 293' ' ' ' A' . . . . . 0.498 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 117.149 8.387 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . 0.456 ' C4 ' ' C2 ' ' B' ' 293' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 117.023 8.248 . 0.555 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 295' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 94.04 -8.185 . 0.323 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 O4'-C4'-C3' 92.39 -9.365 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 297' ' ' ' A' . . . . . 0.797 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.067 2 O4'-C4'-C3' 92.888 -9.008 . 0.695 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . 0.4 ' N2 ' ' C2 ' ' B' ' 284' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.887 3 O4'-C4'-C3' 92.501 -9.285 . 0.263 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 299' ' ' ' C' . . . . . 0.66 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.001 3 O4'-C4'-C3' 91.786 -9.796 . 0.243 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 300' ' ' ' U' . . . . . 0.66 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.694 2 C1'-O4'-C4' 117.466 8.74 . 0.703 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 301' ' ' ' C' . . . . . 0.808 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.955 3 O4'-C4'-C3' 91.525 -9.982 . 0.214 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 302' ' ' ' U' . . . . . 0.808 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 O4'-C4'-C3' 93.618 -8.487 . 0.447 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 303' ' ' ' G' . . . . . 0.583 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 O4'-C4'-C3' 91.861 -9.742 . 0.348 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 304' ' ' ' U' . . . . . 0.526 " O2'" ' OP1' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 92.863 -9.027 OUTLIER-EPSILON 0.081 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 305' ' ' ' A' . . . . . 0.526 ' OP1' " O2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.027 1 O4'-C4'-C3' 91.036 -10.331 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 306' ' ' ' U' . . . . . 0.505 ' C2 ' ' HA ' ' A' ' 29' ' ' CYS . . . . . . . . 0 C3'--C2' 1.504 -1.953 1 O4'-C4'-C3' 91.338 -10.116 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 307' ' ' ' C' . . . . . 0.489 " H1'" ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 117.254 8.504 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 308' ' ' ' U' . . . . . 0.522 " H2'" ' HG2' ' A' ' 18' ' ' ARG . . . . . . . . 0 C3'--C2' 1.503 -1.975 1 O4'-C4'-C3' 91.244 -10.183 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 309' ' ' ' G' . . . . . 0.497 ' N2 ' ' O ' ' A' ' 22' ' ' ASP . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 91.58 -9.943 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 310' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 91.909 -9.708 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 92.932 -8.977 . 0.264 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 312' ' ' ' G' . . . . . 0.514 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.803 2 C1'-O4'-C4' 116.317 7.463 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 313' ' ' ' G' . . . . . 0.514 ' C5 ' ' C6 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 117.125 8.361 . 0.241 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 314' ' ' ' A' . . . . . 0.519 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.08 8.311 . 0.733 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 315' ' ' ' C' . . . . . 0.519 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.305 -12.326 2 C1'-O4'-C4' 119.463 10.959 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear build full ' B' B ' 316' ' ' ' C' . . . . . 0.497 ' N4 ' ' N4 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.863 3 C1'-O4'-C4' 116.481 7.646 . 0.018 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 317' ' ' ' C' . . . . . 0.497 ' N4 ' ' N4 ' ' B' ' 316' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 117.192 8.436 . 0.367 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 318' ' ' ' G' . . . . . 0.806 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 117.256 8.507 . 0.55 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.493 3.318 2 O4'-C4'-C3' 91.805 -9.782 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 320' ' ' ' G' . . . . . 0.806 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.015 3 C1'-O4'-C4' 115.083 6.092 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 321' ' ' ' G' . . . . . 0.65 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.907 3 O4'-C4'-C3' 92.309 -9.422 . 0.024 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 322' ' ' ' U' . . . . . 0.65 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.007 3 O4'-C4'-C3' 91.513 -9.99 . 0.476 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 323' ' ' ' G' . . . . . 0.532 ' C6 ' ' C2 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.055 2 C1'-O4'-C4' 116.624 7.805 . 0.28 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 324' ' ' ' G' . . . . . 0.659 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.952 0 C1'-O4'-C4' 113.148 3.943 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 325' ' ' ' A' . . . . . 0.659 ' C6 ' ' C6 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.554 2 C1'-O4'-C4' 117.038 8.264 . 0.037 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 326' ' ' ' A' . . . . . 0.603 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.556 7.729 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 116.687 7.874 . 0.656 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 328' ' ' ' U' . . . . . 0.636 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 117.438 8.709 . 0.865 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 329' ' ' ' G' . . . . . 0.636 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.027 3 O4'-C4'-C3' 91.577 -9.945 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 1 O4'-C4'-C3' 90.425 -10.768 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 331' ' ' ' G' . . . . . 0.611 ' C2 ' ' N1 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 O4'-C4'-C3' 93.313 -8.705 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 332' ' ' ' A' . . . . . 0.611 ' N1 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.873 2 C1'-O4'-C4' 116.97 8.188 . 0.178 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 333' ' ' ' A' . . . . . 0.557 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 117.084 8.315 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 334' ' ' ' G' . . . . . 0.557 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 116.767 7.964 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 335' ' ' ' U' . . . . . 0.649 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.871 2 C1'-O4'-C4' 117.182 8.424 . 0.416 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 336' ' ' ' U' . . . . . 0.649 ' C4 ' ' N3 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.128 2 C1'-O4'-C4' 117.433 8.703 . 0.43 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 337' ' ' ' C' . . . . . 0.678 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.768 7.965 . 0.023 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 338' ' ' ' G' . . . . . 0.678 ' N7 ' ' C4 ' ' B' ' 337' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 O4'-C4'-C3' 90.321 -10.842 . 0.353 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 339' ' ' ' G' . . . . . 0.632 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 C1'-O4'-C4' 99.964 -10.706 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 340' ' ' ' A' . . . . . 0.527 ' N7 ' ' N3 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.032 3 O4'-C4'-C3' 92.244 -9.468 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 341' ' ' ' A' . . . . . 0.483 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.919 2 C1'-O4'-C4' 117.466 8.74 . 0.662 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 116.484 7.649 . 0.657 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 343' ' ' ' A' . . . . . 0.533 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 117.158 8.398 . 0.765 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 344' ' ' ' C' . . . . . 0.533 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 93.368 -8.666 . 0.535 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 345' ' ' ' C' . . . . . 0.55 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 92.991 -8.935 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 346' ' ' ' C' . . . . . 0.595 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 O4'-C4'-C3' 91.271 -10.163 . 0.905 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 347' ' ' ' G' . . . . . 0.614 ' C6 ' ' C6 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 O4'-C4'-C3' 93.865 -8.311 . 0.288 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 348' ' ' ' G' . . . . . 0.654 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 O4'-C4'-C3' 92.734 -9.118 . 0.366 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 349' ' ' ' C' . . . . . 0.654 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.965 3 O4'-C4'-C3' 91.404 -10.069 . 0.019 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 350' ' ' ' C' . . . . . 0.455 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.833 3 O4'-C4'-C3' 91.608 -9.923 . 0.173 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.051 2 C1'-O4'-C4' 117.03 8.255 . 0.445 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 93.003 -8.927 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 353' ' ' ' A' . . . . . 0.452 " H2'" " O4'" ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 O4'-C4'-C3' 93.873 -8.305 . 0.48 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 354' ' ' ' A' . . . . . 0.494 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 O4'-C4'-C3' 94.023 -8.198 . 0.44 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 355' ' ' ' C' . . . . . 0.494 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 93.2 -8.786 . 0.563 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 356' ' ' ' C' . . . . . 0.45 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 93.371 -8.663 . 0.134 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 357' ' ' ' C' . . . . . 0.483 ' C4 ' ' C5 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 116.164 7.294 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 358' ' ' ' U' . . . . . 0.483 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 O4'-C4'-C3' 92.705 -9.139 . 0.223 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 359' ' ' ' G' . . . . . 0.496 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 92.914 -8.99 . 0.086 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 360' ' ' ' G' . . . . . 0.496 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 C1'-O4'-C4' 116.774 7.971 . 0.322 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 361' ' ' ' G' . . . . . 0.464 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 117.125 8.361 . 0.483 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 362' ' ' ' A' . . . . . 0.477 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 117.226 8.473 . 0.474 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 363' ' ' ' G' . . . . . 0.477 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 117.215 8.461 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 364' ' ' ' A' . . . . . 0.465 " H4'" ' OP1' ' B' ' 364' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 116.733 7.925 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 0 C3'-C2'-O2' 102.677 -3.663 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 91.48 -10.015 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 117.25 8.5 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 368' ' ' ' C' . . . . . 0.419 ' C4 ' ' N4 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.021 2 O4'-C4'-C3' 93.803 -8.355 . 0.474 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 369' ' ' ' C' . . . . . 0.419 ' N4 ' ' C4 ' ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.905 8.116 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 92.479 -9.301 . 0.208 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.822 8.025 . 0.041 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.041 2 C1'-O4'-C4' 116.909 8.121 . 0.675 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 373' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 116.943 8.159 . 0.09 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 374' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 3 O4'-C4'-C3' 93.88 -8.3 . 0.555 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 O4'-C4'-C3' 93.254 -8.747 . 0.445 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 376' ' ' ' U' . . . . . 0.468 " H5'" " C5'" ' B' ' 308' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 116.875 8.083 . 0.441 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.0 p -63.25 126.83 28.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.351 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -136.8 142.2 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 70.0 t -111.01 108.28 25.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.366 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t -72.06 162.87 28.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.71 -117.26 6.46 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.67 161.94 28.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.66 -47.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -176.43 151.85 1.02 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -65.2 161.66 18.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.03 154.19 35.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.5 pm0 -85.55 162.09 19.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.04 -123.98 2.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.24 61.45 0.85 Allowed Glycine 0 CA--C 1.531 1.069 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.26 168.45 23.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.803 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -53.95 167.23 0.29 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 110.248 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 57.53 174.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.587 ' O ' ' C ' ' A' ' 19' ' ' SER . 1.6 ptp85 -71.76 55.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.407 1.067 . . . . 0.0 110.363 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.587 ' C ' ' O ' ' A' ' 18' ' ' ARG . 32.4 t -22.0 -77.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 22' ' ' ASP . 2.0 tt0 -127.98 30.56 5.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.653 HD21 ' C2 ' ' B' ' 309' ' ' ' G' . 0.0 OUTLIER -40.57 95.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.353 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 20' ' ' GLN . 0.4 OUTLIER -68.92 156.59 38.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -8.37 19.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -129.43 27.25 5.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.472 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 2.0 tt0 -119.67 130.82 55.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.215 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 41.8 t -63.24 138.22 58.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 108.314 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.48 ' O ' " H4'" ' B' ' 307' ' ' ' C' . . . -98.9 25.34 6.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.594 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 1.9 t80 -125.6 -65.28 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.566 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 28.2 p -94.93 -15.28 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 108.261 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 78.69 22.98 0.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.566 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 47.7 mt-10 -89.01 122.78 32.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.333 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -78.61 127.35 32.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.77 -54.12 0.67 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.592 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 31.6 p-80 -108.41 162.05 14.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.644 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -94.8 163.71 13.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.626 ' HB2' ' O6 ' ' B' ' 309' ' ' ' G' . . . -58.85 -38.25 78.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -68.58 -7.12 29.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -128.36 24.12 5.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.173 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.592 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 39.1 t -73.67 130.72 83.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 1.44 7.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.441 1.758 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.594 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 3.2 ttmt -90.67 -23.89 20.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.571 ' HD2' ' C2 ' ' B' ' 307' ' ' ' C' . 13.6 mtpp -61.98 111.2 4.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -62.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 173.4 53.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.16 176.6 0.85 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.524 1.14 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -58.27 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.99 -0.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.6 tpt85 64.05 120.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.2 152.53 0.39 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -178.55 4.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.47 151.13 95.66 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.324 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -172.4 1.25 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.535 1.808 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.01 158.73 16.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.7 p -61.41 171.81 1.33 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.4 t -152.12 127.46 9.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -81.83 148.73 28.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.396 1.06 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . 0.499 ' C6 ' ' N7 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 116.798 7.997 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 277' ' ' ' G' . . . . . 0.499 ' N7 ' ' C6 ' ' B' ' 276' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 O4'-C4'-C3' 92.3 -9.428 . 0.66 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 117.139 8.376 . 0.22 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . 0.504 ' C6 ' ' N1 ' ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 92.151 -9.535 . 0.61 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 117.281 8.534 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 281' ' ' ' U' . . . . . 0.446 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 O4'-C4'-C3' 92.978 -8.944 . 0.198 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 282' ' ' AP7 . . . . . 0.446 ' N6 ' ' O4 ' ' B' ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . 0.41 " O4'" " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 117.055 8.284 . 0.369 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . 0.473 ' C2 ' ' N2 ' ' B' ' 298' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 117.223 8.47 . 0.277 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 285' ' ' ' A' . . . . . 0.764 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 117.151 8.39 . 0.121 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 93.453 -8.605 . 0.718 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 287' ' ' ' U' . . . . . 0.528 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.033 2 O4'-C4'-C3' 92.211 -9.492 . 0.632 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 288' ' ' ' U' . . . . . 0.528 ' C4 ' ' C4 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 O4'-C4'-C3' 91.964 -9.669 . 0.844 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 289' ' ' ' G' . . . . . 0.508 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 91.819 -9.772 . 0.434 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 290' ' ' ' A' . . . . . 0.627 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 115.968 7.076 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 291' ' ' ' G' . . . . . 0.648 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.074 2 C1'-O4'-C4' 117.214 8.46 . 0.018 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 292' ' ' ' A' . . . . . 0.648 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 92.344 -9.397 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 293' ' ' ' A' . . . . . 0.457 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 C1'-O4'-C4' 117.191 8.435 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . 0.43 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.877 2 C1'-O4'-C4' 117.089 8.321 . 0.284 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 295' ' ' ' C' . . . . . 0.43 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 93.394 -8.647 . 0.399 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 116.875 8.084 . 0.722 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 297' ' ' ' A' . . . . . 0.764 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.869 2 O4'-C4'-C3' 93.068 -8.88 . 0.616 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . 0.473 ' N2 ' ' C2 ' ' B' ' 284' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 92.937 -8.973 . 0.673 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 299' ' ' ' C' . . . . . 0.646 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.973 3 O4'-C4'-C3' 92.027 -9.624 . 0.465 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 300' ' ' ' U' . . . . . 0.646 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.776 2 C1'-O4'-C4' 117.451 8.724 . 0.469 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 301' ' ' ' C' . . . . . 0.807 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.949 3 O4'-C4'-C3' 91.25 -10.179 . 0.246 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 302' ' ' ' U' . . . . . 0.807 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.86 2 O4'-C4'-C3' 93.305 -8.71 . 0.448 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 303' ' ' ' G' . . . . . 0.647 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.894 1 O4'-C4'-C3' 90.657 -10.602 . 0.294 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 304' ' ' ' U' . . . . . 0.458 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 92.107 -9.566 . 0.267 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 305' ' ' ' A' . . . . . 0.458 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.932 1 O4'-C4'-C3' 90.955 -10.389 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 306' ' ' ' U' . . . . . 0.571 ' C2 ' ' O ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C3'--C2' 1.503 -1.957 1 O4'-C4'-C3' 90.947 -10.395 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 307' ' ' ' C' . . . . . 0.571 ' C2 ' ' HD2' ' A' ' 42' ' ' LYS . . . . . . . . 0 C3'--C2' 1.503 -2.016 3 C1'-O4'-C4' 116.87 8.078 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 308' ' ' ' U' . . . . . 0.438 ' C4 ' ' HA ' ' A' ' 18' ' ' ARG . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 91.749 -9.822 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 309' ' ' ' G' . . . . . 0.653 ' C2 ' HD21 ' A' ' 21' ' ' LEU . . . . . . . . 0 C3'--C2' 1.503 -2.029 3 O4'-C4'-C3' 93.452 -8.605 . 0.01 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 310' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 O4'-C4'-C3' 92.123 -9.555 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 O4'-C4'-C3' 92.768 -9.095 . 0.307 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 312' ' ' ' G' . . . . . 0.473 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.152 7.28 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 313' ' ' ' G' . . . . . 0.608 ' C2 ' ' N3 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.12 2 C1'-O4'-C4' 117.344 8.604 . 0.233 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 314' ' ' ' A' . . . . . 0.651 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 117.009 8.232 . 0.651 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 315' ' ' ' C' . . . . . 0.651 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.307 -12.183 2 C1'-O4'-C4' 119.481 10.979 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear build full ' B' B ' 316' ' ' ' C' . . . . . 0.494 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 O4'-C4'-C3' 93.153 -8.82 . 0.221 4g . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 317' ' ' ' C' . . . . . 0.494 ' C6 ' " H2'" ' B' ' 316' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 O4'-C4'-C3' 94.091 -8.15 . 0.405 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 318' ' ' ' G' . . . . . 0.786 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 117.206 8.451 . 0.36 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.494 3.418 2 O4'-C4'-C3' 92.476 -9.303 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 320' ' ' ' G' . . . . . 0.786 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.011 1 C1'-O4'-C4' 114.754 5.726 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 321' ' ' ' G' . . . . . 0.662 ' C4 ' ' N2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.0 3 O4'-C4'-C3' 92.128 -9.551 . 0.053 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 322' ' ' ' U' . . . . . 0.491 ' C4 ' ' C5 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.946 3 O4'-C4'-C3' 91.887 -9.724 . 0.64 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 323' ' ' ' G' . . . . . 0.428 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 116.656 7.839 . 0.348 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 324' ' ' ' G' . . . . . 0.705 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.939 0 C3'-C2'-O2' 102.709 -3.652 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 325' ' ' ' A' . . . . . 0.705 ' C6 ' ' C6 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.901 2 C1'-O4'-C4' 116.723 7.914 . 0.085 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 326' ' ' ' A' . . . . . 0.65 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.849 2 C1'-O4'-C4' 116.569 7.744 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 116.77 7.966 . 0.573 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 328' ' ' ' U' . . . . . 0.655 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.035 2 C1'-O4'-C4' 117.363 8.625 . 0.859 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 329' ' ' ' G' . . . . . 0.655 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 O4'-C4'-C3' 91.387 -10.081 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.382 2 C1'-O4'-C4' 117.492 8.769 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 331' ' ' ' G' . . . . . 0.677 ' C2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.141 2 C1'-O4'-C4' 117.382 8.646 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 332' ' ' ' A' . . . . . 0.677 ' C2 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 117.213 8.459 . 0.191 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 333' ' ' ' A' . . . . . 0.576 ' C8 ' ' C8 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.452 7.613 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 334' ' ' ' G' . . . . . 0.506 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.831 2 C1'-O4'-C4' 116.358 7.509 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 335' ' ' ' U' . . . . . 0.662 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 117.356 8.618 . 0.569 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 336' ' ' ' U' . . . . . 0.662 ' C4 ' ' N3 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.868 2 C1'-O4'-C4' 117.063 8.292 . 0.426 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 337' ' ' ' C' . . . . . 0.697 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 117.314 8.571 . 0.253 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 338' ' ' ' G' . . . . . 0.697 ' N7 ' ' C4 ' ' B' ' 337' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 90.373 -10.805 . 0.343 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 339' ' ' ' G' . . . . . 0.644 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 100.422 -10.198 OUTLIER-EPSILON 0.023 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 340' ' ' ' A' . . . . . 0.572 ' N6 ' ' C6 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.482 2.377 2 O4'-C4'-C3' 93.013 -8.92 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 341' ' ' ' A' . . . . . 0.572 ' C6 ' ' N6 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.152 2 C1'-O4'-C4' 117.463 8.737 . 0.589 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 116.875 8.084 . 0.364 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 343' ' ' ' A' . . . . . 0.542 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 C1'-O4'-C4' 117.201 8.445 . 0.63 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 344' ' ' ' C' . . . . . 0.542 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 116.803 8.003 . 0.638 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 345' ' ' ' C' . . . . . 0.569 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.131 8.368 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 346' ' ' ' C' . . . . . 0.571 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 90.561 -10.671 . 0.607 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 347' ' ' ' G' . . . . . 0.577 ' C6 ' ' C6 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 92.862 -9.027 . 0.435 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 348' ' ' ' G' . . . . . 0.659 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.84 2 O4'-C4'-C3' 92.015 -9.632 . 0.01 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 349' ' ' ' C' . . . . . 0.659 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 O4'-C4'-C3' 91.092 -10.291 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 350' ' ' ' C' . . . . . 0.446 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 91.482 -10.013 . 0.092 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.858 2 C1'-O4'-C4' 117.223 8.47 . 0.375 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 3 O4'-C4'-C3' 92.082 -9.585 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 353' ' ' ' A' . . . . . 0.504 " H2'" " O4'" ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 O4'-C4'-C3' 94.13 -8.121 . 0.569 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 354' ' ' ' A' . . . . . 0.504 " O4'" " H2'" ' B' ' 353' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 O4'-C4'-C3' 93.491 -8.578 . 0.797 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 355' ' ' ' C' . . . . . 0.472 " H2'" ' C6 ' ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 O4'-C4'-C3' 93.59 -8.507 . 0.496 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 356' ' ' ' C' . . . . . 0.472 ' C6 ' " H2'" ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 93.66 -8.457 . 0.638 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 357' ' ' ' C' . . . . . 0.46 ' C4 ' ' C5 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 115.993 7.103 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 358' ' ' ' U' . . . . . 0.46 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.051 3 O4'-C4'-C3' 91.728 -9.837 . 0.096 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 359' ' ' ' G' . . . . . 0.518 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 92.024 -9.625 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 360' ' ' ' G' . . . . . 0.518 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 116.913 8.126 . 0.056 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 361' ' ' ' G' . . . . . 0.508 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.038 2 O4'-C4'-C3' 93.283 -8.726 . 0.304 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 362' ' ' ' A' . . . . . 0.508 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.859 2 C1'-O4'-C4' 117.106 8.34 . 0.14 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 363' ' ' ' G' . . . . . 0.472 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 117.183 8.425 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 1 C1'-O4'-C4' 104.366 -5.816 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 O4'-C4'-C3' 91.42 -10.057 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 115.808 6.897 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 117.291 8.546 . 0.31 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 368' ' ' ' C' . . . . . 0.419 " H2'" ' C6 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 O4'-C4'-C3' 92.02 -9.629 . 0.169 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 369' ' ' ' C' . . . . . 0.419 ' C6 ' " H2'" ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 O4'-C4'-C3' 93.467 -8.595 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 92.384 -9.369 . 0.253 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.933 8.147 . 0.101 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 O4'-C4'-C3' 93.838 -8.33 . 0.69 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 373' ' ' ' G' . . . . . 0.451 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.046 2 C1'-O4'-C4' 117.109 8.344 . 0.359 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 374' ' ' ' G' . . . . . 0.451 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.968 8.187 . 0.228 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 375' ' ' ' U' . . . . . 0.432 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 93.428 -8.623 . 0.526 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 92.623 -9.198 . 0.448 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.7 p -144.89 137.91 26.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.362 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 67.1 t -148.83 105.97 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.241 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.8 p -142.22 146.97 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.378 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.3 145.18 33.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.73 163.52 33.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -137.2 129.64 29.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.756 . . . . 0.0 110.324 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.86 103.69 10.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -169.87 86.03 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 175.72 157.43 0.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.392 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -135.78 129.84 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -124.34 136.8 54.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.5 -118.59 0.71 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.29 -109.31 0.91 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 60.88 126.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -143.71 101.02 3.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.34 150.88 1.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.704 ' O ' ' N ' ' A' ' 20' ' ' GLN . 5.6 mtt85 -45.3 -53.82 7.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.3 t 60.23 -56.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.944 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.704 ' N ' ' O ' ' A' ' 18' ' ' ARG . 1.1 tt0 -159.31 32.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.614 1.196 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -37.55 106.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.346 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.525 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.4 OUTLIER -87.21 151.19 23.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.505 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 0.0 OUTLIER -67.15 -7.29 22.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -126.55 21.54 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.479 ' CG ' ' HG3' ' A' ' 32' ' ' LYS . 8.9 mt-30 -110.61 172.72 6.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.361 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 41.7 t -104.17 129.58 51.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.346 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.553 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -92.51 32.79 1.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.469 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 7.6 t80 -131.11 -62.73 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.656 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 24.6 p -100.71 -10.09 21.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.347 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.15 21.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.656 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -72.91 -179.77 3.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HG3' ' CG ' ' A' ' 25' ' ' GLN . 1.9 mttt -132.71 119.17 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.07 -51.98 0.84 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 22.2 p-80 -104.93 158.79 16.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 0.732 . . . . 0.0 109.595 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.697 ' CZ3' ' C4 ' ' B' ' 309' ' ' ' G' . 4.2 m95 -97.85 165.56 11.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.652 ' HB1' " H1'" ' B' ' 307' ' ' ' C' . . . -58.92 -35.52 73.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -7.29 38.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -128.25 17.03 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.369 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.574 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 19.1 t -66.86 133.41 93.97 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.422 1.076 . . . . 0.0 108.33 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.14 1.58 7.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.571 ' HE2' ' C4 ' ' B' ' 306' ' ' ' U' . 1.5 mtpt -94.7 -23.98 17.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.42 ' NZ ' ' N3 ' ' B' ' 307' ' ' ' C' . 0.0 OUTLIER -40.05 99.82 0.2 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' LYS . 18.2 Cg_endo -75.02 55.29 3.91 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.453 1.765 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 43.82 88.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -54.19 -176.73 0.11 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.582 1.176 . . . . 0.0 110.976 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.476 ' HD3' " C4'" ' B' ' 356' ' ' ' C' . 18.2 Cg_endo -75.05 148.31 91.35 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.956 -2.518 . . . . 0.0 111.019 0.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.78 137.02 0.24 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 151.83 84.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.405 1.066 . . . . 0.0 111.07 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.84 4.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -126.09 96.95 35.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.521 ' HA ' " C5'" ' B' ' 304' ' ' ' U' . 18.3 Cg_endo -75.06 172.66 15.93 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.43 75.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.8 p -73.31 84.2 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.24 126.03 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 pp -89.92 147.2 23.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.937 8.152 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 92.092 -9.577 . 0.738 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 C1'-O4'-C4' 117.158 8.397 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.855 2 O4'-C4'-C3' 93.259 -8.744 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 117.275 8.528 . 0.08 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 281' ' ' ' U' . . . . . 0.447 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -2.039 2 O4'-C4'-C3' 93.412 -8.634 . 0.187 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 282' ' ' AP7 . . . . . 0.447 ' N6 ' ' O4 ' ' B' ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 O4'-C4'-C3' 93.419 -8.629 . 0.215 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 117.258 8.509 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 285' ' ' ' A' . . . . . 0.594 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 117.183 8.425 . 0.02 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 O4'-C4'-C3' 93.122 -8.842 . 0.929 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 287' ' ' ' U' . . . . . 0.475 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.042 2 O4'-C4'-C3' 93.037 -8.902 . 0.564 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 288' ' ' ' U' . . . . . 0.591 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.035 2 O4'-C4'-C3' 93.21 -8.778 . 0.442 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 289' ' ' ' G' . . . . . 0.591 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 91.945 -9.682 . 0.252 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 290' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 O4'-C4'-C3' 92.232 -9.477 . 0.015 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 291' ' ' ' G' . . . . . 0.599 ' C2 ' ' C2 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 116.835 8.038 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 292' ' ' ' A' . . . . . 0.599 ' C2 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 117.082 8.313 . 0.106 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 293' ' ' ' A' . . . . . 0.582 ' C6 ' ' C2 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 117.213 8.459 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . 0.449 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 117.274 8.527 . 0.377 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 295' ' ' ' C' . . . . . 0.449 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 O4'-C4'-C3' 94.053 -8.176 . 0.316 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 O4'-C4'-C3' 93.369 -8.665 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 297' ' ' ' A' . . . . . 0.594 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 93.184 -8.797 . 0.725 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 92.555 -9.247 . 0.163 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 299' ' ' ' C' . . . . . 0.636 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.902 3 O4'-C4'-C3' 91.772 -9.806 . 0.471 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 300' ' ' ' U' . . . . . 0.636 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.755 2 C1'-O4'-C4' 117.475 8.75 . 0.754 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 301' ' ' ' C' . . . . . 0.812 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.906 3 O4'-C4'-C3' 92.429 -9.336 . 0.294 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 302' ' ' ' U' . . . . . 0.812 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 O4'-C4'-C3' 94.001 -8.214 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 303' ' ' ' G' . . . . . 0.582 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.822 2 O4'-C4'-C3' 91.726 -9.839 . 0.503 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 304' ' ' ' U' . . . . . 0.521 " C5'" ' HA ' ' A' ' 51' ' ' PRO . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 93.702 -8.427 . 0.507 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 305' ' ' ' A' . . . . . 0.454 ' OP1' ' CG ' ' A' ' 51' ' ' PRO . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 92.051 -9.606 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 306' ' ' ' U' . . . . . 0.571 ' C4 ' ' HE2' ' A' ' 41' ' ' LYS . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 O4'-C4'-C3' 92.412 -9.349 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 307' ' ' ' C' . . . . . 0.652 " H1'" ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 C1'-O4'-C4' 117.231 8.478 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 308' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 1 O4'-C4'-C3' 91.587 -9.938 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 309' ' ' ' G' . . . . . 0.697 ' C4 ' ' CZ3' ' A' ' 35' ' ' TRP . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 91.854 -9.747 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 310' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 92.237 -9.474 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 O4'-C4'-C3' 92.872 -9.02 . 0.319 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 312' ' ' ' G' . . . . . 0.728 ' C2 ' ' C4 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 C1'-O4'-C4' 116.541 7.712 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 313' ' ' ' G' . . . . . 0.734 ' C2 ' ' C2 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.103 2 C1'-O4'-C4' 117.288 8.542 . 0.199 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 314' ' ' ' A' . . . . . 0.734 ' C2 ' ' C2 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 117.121 8.357 . 0.431 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 315' ' ' ' C' . . . . . 0.649 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.306 -12.25 2 C1'-O4'-C4' 119.422 10.914 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear build full ' B' B ' 316' ' ' ' C' . . . . . 0.521 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 O4'-C4'-C3' 93.303 -8.712 . 0.338 0a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 317' ' ' ' C' . . . . . 0.521 ' C6 ' " H2'" ' B' ' 316' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 O4'-C4'-C3' 94.129 -8.122 . 0.485 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 318' ' ' ' G' . . . . . 0.807 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 117.251 8.502 . 0.538 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.491 3.176 2 O4'-C4'-C3' 92.136 -9.546 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 320' ' ' ' G' . . . . . 0.807 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.904 3 C1'-O4'-C4' 115.049 6.054 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 321' ' ' ' G' . . . . . 0.66 ' C4 ' ' N2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.033 3 O4'-C4'-C3' 92.16 -9.529 . 0.113 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 322' ' ' ' U' . . . . . 0.654 ' N3 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 90.631 -10.621 . 0.471 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 323' ' ' ' G' . . . . . 0.504 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.506 7.673 . 0.352 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 324' ' ' ' G' . . . . . 0.732 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 113.375 4.194 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 325' ' ' ' A' . . . . . 0.732 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.042 2 C1'-O4'-C4' 117.352 8.614 . 0.019 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 326' ' ' ' A' . . . . . 0.619 ' C6 ' ' C4 ' ' B' ' 327' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 116.7 7.889 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 327' ' ' ' C' . . . . . 0.619 ' C4 ' ' C6 ' ' B' ' 326' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.824 8.026 . 0.507 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 328' ' ' ' U' . . . . . 0.473 ' N3 ' ' C5 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 116.713 7.903 . 0.763 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 329' ' ' ' G' . . . . . 0.522 ' N1 ' ' N6 ' ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 91.815 -9.775 . 0.219 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 330' ' ' ' U' . . . . . 0.486 ' C5 ' ' C4 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.874 8.083 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 331' ' ' ' G' . . . . . 0.66 ' N2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 117.346 8.606 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 332' ' ' ' A' . . . . . 0.66 ' C2 ' ' N2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 116.817 8.019 . 0.034 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 333' ' ' ' A' . . . . . 0.607 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 C1'-O4'-C4' 117.061 8.29 . 0.169 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 334' ' ' ' G' . . . . . 0.607 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 C1'-O4'-C4' 116.711 7.901 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 335' ' ' ' U' . . . . . 0.635 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 117.321 8.578 . 0.728 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 336' ' ' ' U' . . . . . 0.635 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.984 8.204 . 0.611 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 337' ' ' ' C' . . . . . 0.619 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.955 1 O4'-C4'-C3' 91.016 -10.346 . 0.357 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 338' ' ' ' G' . . . . . 0.817 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 O4'-C4'-C3' 90.347 -10.824 . 0.638 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 339' ' ' ' G' . . . . . 0.817 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 99.424 -11.307 OUTLIER-EPSILON 0.01 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 340' ' ' ' A' . . . . . 0.794 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 92.296 -9.431 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 341' ' ' ' A' . . . . . 0.794 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 117.24 8.489 . 0.482 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.084 2 C1'-O4'-C4' 116.617 7.797 . 0.684 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 343' ' ' ' A' . . . . . 0.509 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 117.026 8.251 . 0.775 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 344' ' ' ' C' . . . . . 0.509 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.089 2 O4'-C4'-C3' 93.503 -8.569 . 0.424 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 345' ' ' ' C' . . . . . 0.607 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 93.771 -8.378 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 346' ' ' ' C' . . . . . 0.622 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 1 O4'-C4'-C3' 90.526 -10.696 . 0.851 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 347' ' ' ' G' . . . . . 0.652 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.204 -8.783 . 0.377 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 348' ' ' ' G' . . . . . 0.652 ' C5 ' ' C6 ' ' B' ' 347' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 91.865 -9.739 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 349' ' ' ' C' . . . . . 0.64 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 O4'-C4'-C3' 90.139 -10.972 . 0.019 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 350' ' ' ' C' . . . . . 0.453 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.899 3 O4'-C4'-C3' 91.106 -10.281 . 0.473 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 351' ' ' ' G' . . . . . 0.436 ' O6 ' ' N4 ' ' B' ' 350' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 117.156 8.395 . 0.356 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 352' ' ' ' C' . . . . . 0.4 " O4'" " H2'" ' B' ' 351' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 92.327 -9.409 . 0.557 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 353' ' ' ' A' . . . . . 0.49 ' N6 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.835 2 O4'-C4'-C3' 93.289 -8.722 . 0.354 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 354' ' ' ' A' . . . . . 0.493 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 C1'-O4'-C4' 116.881 8.09 . 0.808 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 355' ' ' ' C' . . . . . 0.493 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 O4'-C4'-C3' 92.168 -9.523 . 0.777 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 356' ' ' ' C' . . . . . 0.505 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 92.143 -9.541 . 0.062 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 357' ' ' ' C' . . . . . 0.505 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.875 2 C1'-O4'-C4' 116.391 7.545 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 358' ' ' ' U' . . . . . 0.414 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 93.877 -8.302 . 0.404 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 359' ' ' ' G' . . . . . 0.464 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.944 3 O4'-C4'-C3' 93.173 -8.805 . 0.206 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 360' ' ' ' G' . . . . . 0.464 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 94.211 -8.064 . 0.131 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 361' ' ' ' G' . . . . . 0.468 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 116.987 8.208 . 0.234 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 362' ' ' ' A' . . . . . 0.476 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 117.2 8.444 . 0.492 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 363' ' ' ' G' . . . . . 0.476 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 117.2 8.444 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 O4'-C4'-C3' 90.851 -10.463 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.86 1 C1'-O4'-C4' 104.664 -5.484 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 1 C1'-O4'-C4' 104.476 -5.693 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 117.157 8.397 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 368' ' ' ' C' . . . . . 0.429 ' C4 ' ' N4 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 92.712 -9.134 . 0.312 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 369' ' ' ' C' . . . . . 0.429 ' N4 ' ' C4 ' ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 93.854 -8.319 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 370' ' ' ' C' . . . . . 0.465 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 92.41 -9.35 . 0.321 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 371' ' ' ' A' . . . . . 0.465 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.852 8.058 . 0.382 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 117.177 8.419 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 373' ' ' ' G' . . . . . 0.495 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 117.262 8.513 . 0.036 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 374' ' ' ' G' . . . . . 0.495 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.961 3 C1'-O4'-C4' 117.042 8.269 . 0.545 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 O4'-C4'-C3' 93.179 -8.801 . 0.513 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.046 2 O4'-C4'-C3' 93.769 -8.38 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.6 p -132.18 152.94 51.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.416 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -53.47 138.38 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.25 120.21 63.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.06 145.31 48.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.966 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -123.08 60.98 0.57 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -157.52 52.21 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -165.63 125.45 1.76 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -111.53 82.3 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.244 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.88 130.77 44.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.9 139.62 25.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -166.66 161.84 16.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.326 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.65 -151.89 21.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.453 1.095 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.19 162.88 36.36 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.577 ' OE1' HG21 ' A' ' 53' ' ' THR . 0.2 OUTLIER 62.75 73.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 110.351 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 44.65 90.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.38 86.1 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.633 ' O ' ' C ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -127.6 68.3 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.633 ' C ' ' O ' ' A' ' 18' ' ' ARG . 34.0 t -16.82 -75.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.998 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.599 ' O ' ' C ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -137.61 47.59 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.599 ' C ' ' O ' ' A' ' 20' ' ' GLN . 0.6 OUTLIER -24.37 101.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.519 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.6 OUTLIER -78.44 147.41 34.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.475 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 3.2 mmm180 -68.17 -4.27 13.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.06 26.01 5.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -114.96 175.23 5.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.229 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.478 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 50.4 t -101.66 131.09 48.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 108.28 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.48 ' O ' " H4'" ' B' ' 307' ' ' ' C' . . . -90.54 26.15 2.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.527 ' CE2' ' OP2' ' B' ' 307' ' ' ' C' . 4.7 t80 -126.21 -61.03 1.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 23.7 p -97.93 -29.27 13.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 108.325 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 93.55 25.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.415 1.072 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.58 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -89.43 142.09 27.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -92.1 124.79 36.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.02 -50.91 0.81 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 31.1 p-80 -114.08 160.51 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.565 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.492 ' CZ3' ' C4 ' ' B' ' 309' ' ' ' G' . 4.6 m95 -100.93 167.48 10.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.626 ' HB1' " H1'" ' B' ' 307' ' ' ' C' . . . -59.12 -35.56 73.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 109.373 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -66.57 -8.72 28.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.243 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.56 29.54 3.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.556 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 30.2 t -75.8 133.18 73.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.433 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.01 1.41 7.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.566 ' HE2' ' C4 ' ' B' ' 306' ' ' ' U' . 0.3 OUTLIER -94.52 -23.4 17.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.262 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -40.0 100.08 0.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' LYS . 18.4 Cg_endo -75.0 -66.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.98 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.98 174.02 15.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -176.59 175.37 47.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.9 94.59 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.961 0.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.01 141.13 50.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.51 129.08 16.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 105.17 2.03 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 134.36 22.7 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.423 ' CB ' ' HG3' ' A' ' 15' ' ' GLU . 18.1 Cg_endo -75.07 162.61 36.68 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.439 1.757 . . . . 0.0 110.949 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.483 ' HG3' ' C8 ' ' B' ' 305' ' ' ' A' . 2.1 mm-40 -152.01 88.59 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.577 HG21 ' OE1' ' A' ' 15' ' ' GLU . 2.7 t -142.59 128.36 19.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.57 91.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.177 . . . . 0.0 109.965 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 pp -172.42 162.45 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.5 tp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.873 2 C1'-O4'-C4' 117.099 8.333 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.034 2 O4'-C4'-C3' 92.532 -9.263 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 117.186 8.429 . 0.542 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . 0.448 ' C6 ' ' C6 ' ' B' ' 280' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 O4'-C4'-C3' 93.054 -8.89 . 0.653 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 280' ' ' ' G' . . . . . 0.448 ' C6 ' ' C6 ' ' B' ' 279' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 117.193 8.437 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 281' ' ' ' U' . . . . . 0.448 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 O4'-C4'-C3' 93.014 -8.919 . 0.298 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 282' ' ' AP7 . . . . . 0.448 ' N6 ' ' O4 ' ' B' ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . 0.419 " O4'" " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.02 8.244 . 0.416 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 117.232 8.48 . 0.705 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 285' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.869 2 C1'-O4'-C4' 117.314 8.572 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.058 2 O4'-C4'-C3' 92.408 -9.351 . 0.678 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 287' ' ' ' U' . . . . . 0.484 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.04 2 O4'-C4'-C3' 92.83 -9.05 . 0.783 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 288' ' ' ' U' . . . . . 0.509 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 92.183 -9.512 . 0.579 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 289' ' ' ' G' . . . . . 0.509 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 O4'-C4'-C3' 92.018 -9.63 . 0.492 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 290' ' ' ' A' . . . . . 0.638 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 116.057 7.175 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 291' ' ' ' G' . . . . . 0.646 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.21 8.456 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 292' ' ' ' A' . . . . . 0.646 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 O4'-C4'-C3' 92.029 -9.622 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 293' ' ' ' A' . . . . . 0.411 ' N6 ' ' N1 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 117.153 8.392 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . 0.456 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 116.981 8.201 . 0.269 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 295' ' ' ' C' . . . . . 0.456 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 92.956 -8.96 . 0.323 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 92.258 -9.459 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 297' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.899 2 O4'-C4'-C3' 93.631 -8.478 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 3 O4'-C4'-C3' 92.575 -9.232 . 0.715 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 299' ' ' ' C' . . . . . 0.639 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.963 3 O4'-C4'-C3' 91.854 -9.747 . 0.185 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 300' ' ' ' U' . . . . . 0.639 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.523 2 C1'-O4'-C4' 117.423 8.692 . 0.692 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 301' ' ' ' C' . . . . . 0.783 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.003 3 O4'-C4'-C3' 91.935 -9.689 . 0.198 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 302' ' ' ' U' . . . . . 0.783 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 117.081 8.312 . 0.513 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 303' ' ' ' G' . . . . . 0.582 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 O4'-C4'-C3' 91.949 -9.68 . 0.337 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 304' ' ' ' U' . . . . . 0.444 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 92.315 -9.418 . 0.256 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 305' ' ' ' A' . . . . . 0.483 ' C8 ' ' HG3' ' A' ' 52' ' ' GLN . . . . . . . . 0 C3'--C2' 1.502 -2.073 2 O4'-C4'-C3' 93.0 -8.929 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 306' ' ' ' U' . . . . . 0.566 ' C4 ' ' HE2' ' A' ' 41' ' ' LYS . . . . . . . . 0 C3'--C2' 1.504 -1.905 1 O4'-C4'-C3' 91.312 -10.134 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 307' ' ' ' C' . . . . . 0.626 " H1'" ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 117.077 8.308 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 308' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 O4'-C4'-C3' 91.653 -9.891 . 0.012 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 309' ' ' ' G' . . . . . 0.519 ' N2 ' ' O ' ' A' ' 22' ' ' ASP . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 O4'-C4'-C3' 90.327 -10.838 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 310' ' ' ' G' . . . . . 0.416 " H5'" " O2'" ' B' ' 309' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 91.603 -9.926 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 311' ' ' ' C' . . . . . 0.402 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 92.797 -9.074 . 0.278 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 312' ' ' ' G' . . . . . 0.488 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 115.973 7.081 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 313' ' ' ' G' . . . . . 0.638 ' C2 ' ' N3 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.596 2 C1'-O4'-C4' 117.302 8.558 . 0.197 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 314' ' ' ' A' . . . . . 0.645 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 117.034 8.26 . 0.638 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 315' ' ' ' C' . . . . . 0.645 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.306 -12.246 2 C1'-O4'-C4' 119.504 11.005 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear build full ' B' B ' 316' ' ' ' C' . . . . . 0.512 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 O4'-C4'-C3' 93.172 -8.806 . 0.096 4g . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 317' ' ' ' C' . . . . . 0.512 ' C6 ' " H2'" ' B' ' 316' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 117.179 8.421 . 0.437 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 318' ' ' ' G' . . . . . 0.805 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 117.327 8.585 . 0.489 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.49 3.05 2 O4'-C4'-C3' 92.171 -9.52 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 320' ' ' ' G' . . . . . 0.805 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.986 3 C1'-O4'-C4' 115.108 6.12 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 321' ' ' ' G' . . . . . 0.684 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.016 3 O4'-C4'-C3' 92.466 -9.31 . 0.111 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 322' ' ' ' U' . . . . . 0.684 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.919 3 O4'-C4'-C3' 90.851 -10.464 . 0.534 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 323' ' ' ' G' . . . . . 0.505 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.888 2 C1'-O4'-C4' 116.479 7.643 . 0.352 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 324' ' ' ' G' . . . . . 0.672 ' N1 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.045 0 C3'-C2'-O2' 102.735 -3.643 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 325' ' ' ' A' . . . . . 0.672 ' C6 ' ' N1 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.504 2 C1'-O4'-C4' 117.476 8.751 . 0.082 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 326' ' ' ' A' . . . . . 0.579 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.526 7.696 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 116.801 8.001 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 328' ' ' ' U' . . . . . 0.42 ' O4 ' ' O6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.843 2 C1'-O4'-C4' 117.267 8.519 . 0.551 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 329' ' ' ' G' . . . . . 0.599 ' C5 ' ' OP2' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.004 3 O4'-C4'-C3' 91.238 -10.187 . 0.094 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 1 O4'-C4'-C3' 90.943 -10.398 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 331' ' ' ' G' . . . . . 0.65 ' C2 ' ' N1 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.012 3 C1'-O4'-C4' 117.208 8.453 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 332' ' ' ' A' . . . . . 0.65 ' N1 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 O4'-C4'-C3' 93.952 -8.249 . 0.295 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 333' ' ' ' A' . . . . . 0.53 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.19 7.322 . 0.128 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 334' ' ' ' G' . . . . . 0.53 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 116.502 7.669 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 335' ' ' ' U' . . . . . 0.631 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 117.133 8.37 . 0.73 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 336' ' ' ' U' . . . . . 0.631 ' C4 ' ' N3 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.867 2 C1'-O4'-C4' 117.002 8.225 . 0.544 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 337' ' ' ' C' . . . . . 0.604 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 91.366 -10.096 . 0.366 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 338' ' ' ' G' . . . . . 0.797 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.932 3 O4'-C4'-C3' 90.473 -10.733 . 0.26 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 339' ' ' ' G' . . . . . 0.797 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.975 1 C1'-O4'-C4' 100.45 -10.167 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear build full ' B' B ' 340' ' ' ' A' . . . . . 0.772 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.022 3 O4'-C4'-C3' 91.832 -9.763 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 341' ' ' ' A' . . . . . 0.772 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.955 2 C1'-O4'-C4' 117.328 8.587 . 0.391 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 116.802 8.002 . 0.109 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 343' ' ' ' A' . . . . . 0.634 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 C1'-O4'-C4' 117.11 8.344 . 0.631 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 344' ' ' ' C' . . . . . 0.634 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 93.251 -8.75 . 0.502 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 345' ' ' ' C' . . . . . 0.598 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.041 2 O4'-C4'-C3' 94.024 -8.197 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 346' ' ' ' C' . . . . . 0.668 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 92.336 -9.403 . 0.042 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 347' ' ' ' G' . . . . . 0.496 ' C6 ' ' C6 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.371 -8.664 . 0.517 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 348' ' ' ' G' . . . . . 0.666 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.037 2 O4'-C4'-C3' 92.041 -9.613 . 0.11 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 349' ' ' ' C' . . . . . 0.666 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.841 2 O4'-C4'-C3' 90.805 -10.496 . 0.014 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 350' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 3 O4'-C4'-C3' 91.206 -10.21 . 0.229 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 117.202 8.446 . 0.455 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 3 O4'-C4'-C3' 91.925 -9.696 . 0.578 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 117.145 8.383 . 0.342 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 354' ' ' ' A' . . . . . 0.493 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 117.185 8.427 . 0.58 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 355' ' ' ' C' . . . . . 0.493 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 92.969 -8.951 . 0.588 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 356' ' ' ' C' . . . . . 0.456 ' C6 ' " H2'" ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 93.437 -8.617 . 0.06 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 357' ' ' ' C' . . . . . 0.448 ' N4 ' ' O4 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.214 7.349 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 358' ' ' ' U' . . . . . 0.448 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 O4'-C4'-C3' 93.374 -8.661 . 0.285 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 359' ' ' ' G' . . . . . 0.515 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 O4'-C4'-C3' 93.411 -8.635 . 0.21 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 360' ' ' ' G' . . . . . 0.515 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.068 2 C1'-O4'-C4' 116.964 8.182 . 0.047 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 361' ' ' ' G' . . . . . 0.473 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 O4'-C4'-C3' 93.953 -8.248 . 0.342 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 362' ' ' ' A' . . . . . 0.477 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 117.207 8.452 . 0.464 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 363' ' ' ' G' . . . . . 0.477 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 117.239 8.488 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 1 C1'-O4'-C4' 103.726 -6.527 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.869 1 O4'-C4'-C3' 91.168 -10.237 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 0 C3'-C2'-O2' 102.736 -3.643 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 117.297 8.552 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 368' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 O4'-C4'-C3' 92.114 -9.562 . 0.231 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 369' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 O4'-C4'-C3' 93.428 -8.623 . 0.01 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 O4'-C4'-C3' 92.467 -9.309 . 0.021 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.034 2 C1'-O4'-C4' 116.921 8.135 . 0.261 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.91 3 O4'-C4'-C3' 93.574 -8.518 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 373' ' ' ' G' . . . . . 0.481 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 117.208 8.453 . 0.316 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 374' ' ' ' G' . . . . . 0.481 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.958 8.176 . 0.295 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 3 O4'-C4'-C3' 92.772 -9.092 . 0.626 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 92.652 -9.177 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 2' ' ' THR . 29.7 m -113.37 56.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.351 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 p -173.4 142.72 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 4' ' ' VAL . 13.6 p -114.7 106.71 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -134.72 163.31 30.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.08 153.52 24.48 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.556 1.16 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.454 ' NE2' ' OP1' ' B' ' 304' ' ' ' U' . 3.0 pt20 -124.17 151.84 43.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -77.16 95.51 4.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.436 ' OE1' ' NH1' ' A' ' 11' ' ' ARG . 37.7 mm-40 -140.26 170.33 16.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -165.9 124.19 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.436 ' NH1' ' OE1' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -176.73 139.41 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -123.68 -48.57 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 110.326 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.52 -164.02 29.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' GLU . . . 123.55 177.26 15.03 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.3 pm0 33.9 90.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -72.85 64.72 0.69 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -158.5 59.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.239 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.704 ' O ' ' N ' ' A' ' 20' ' ' GLN . 1.4 mpt_? 39.52 36.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 110.338 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.6 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 28.6 t 61.0 -53.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.704 ' N ' ' O ' ' A' ' 18' ' ' ARG . 24.6 tt0 172.27 42.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.398 1.061 . . . . 0.0 110.266 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.879 HD21 ' HB2' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -42.84 97.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.481 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -80.78 155.07 26.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -70.38 1.35 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.96 21.51 3.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -117.03 141.17 48.59 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.485 1.115 . . . . 0.0 110.354 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 48.6 t -70.96 130.56 41.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.276 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.879 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -94.54 29.27 2.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.407 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 33.6 t80 -129.33 -60.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.525 ' SG ' ' CG ' ' A' ' 31' ' ' GLU . 28.1 p -96.82 -15.96 21.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.7 25.4 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.252 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.525 ' CG ' ' SG ' ' A' ' 29' ' ' CYS . 47.2 mt-10 -93.26 122.61 35.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.361 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -79.43 125.75 29.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 142.6 -48.11 0.79 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.157 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 47.0 p-80 -116.55 171.07 8.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.576 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -104.14 165.5 11.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 108.002 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.594 ' HB2' ' O6 ' ' B' ' 309' ' ' ' G' . . . -58.64 -38.55 78.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -6.83 30.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -128.11 22.98 6.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.575 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 22.7 t -70.93 132.45 86.71 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 108.245 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD3' ' NE2' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.07 0.72 8.59 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.524 1.802 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.435 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 1.3 mttt -92.89 -22.3 19.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -47.63 104.98 0.44 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 163.99 34.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 179.48 80.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 110.34 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.3 -176.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.88 0.51 Allowed 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.949 0.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 178.48 152.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.21 88.28 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 153.19 41.26 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.48 1.779 . . . . 0.0 111.064 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.419 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 1.7 ptt180 -177.51 63.85 0.19 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 50' ' ' ARG . 18.1 Cg_endo -75.0 156.99 43.04 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -174.68 109.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.6 t -162.88 137.86 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.347 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.56 111.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 tp -154.15 158.99 41.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . 0.49 ' C6 ' ' N7 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 116.864 8.071 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 277' ' ' ' G' . . . . . 0.49 ' N7 ' ' C6 ' ' B' ' 276' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 O4'-C4'-C3' 92.714 -9.133 . 0.612 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 278' ' ' ' C' . . . . . 0.436 " O4'" " H2'" ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 93.251 -8.749 . 0.486 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . 0.535 ' C6 ' ' N1 ' ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 O4'-C4'-C3' 92.692 -9.149 . 0.251 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.041 2 C1'-O4'-C4' 117.242 8.491 . 0.082 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 281' ' ' ' U' . . . . . 0.408 " H2'" " O4'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 93.187 -8.795 . 0.208 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 282' ' ' AP7 . . . . . 0.409 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . 0.409 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.95 3 O4'-C4'-C3' 92.619 -9.201 . 0.316 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . 0.502 ' C2 ' ' C2 ' ' B' ' 298' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 116.954 8.172 . 0.164 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 285' ' ' ' A' . . . . . 0.532 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 C1'-O4'-C4' 117.205 8.45 . 0.382 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 286' ' ' ' G' . . . . . 0.425 " H2'" " O4'" ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 93.131 -8.835 . 0.768 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 287' ' ' ' U' . . . . . 0.554 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 92.073 -9.591 . 0.533 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 288' ' ' ' U' . . . . . 0.649 ' C4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.053 1 O4'-C4'-C3' 91.227 -10.195 . 0.82 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 289' ' ' ' G' . . . . . 0.649 ' C6 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.963 3 C1'-O4'-C4' 117.061 8.29 . 0.038 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 290' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 93.392 -8.649 . 0.052 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 291' ' ' ' G' . . . . . 0.648 ' C2 ' ' N1 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 117.231 8.479 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 292' ' ' ' A' . . . . . 0.648 ' N1 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.962 1 O4'-C4'-C3' 91.234 -10.19 . 0.01 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 293' ' ' ' A' . . . . . 0.518 " O5'" " C2'" ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.037 1 C1'-O4'-C4' 115.051 6.057 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . 0.44 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 C1'-O4'-C4' 117.244 8.494 . 0.459 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 295' ' ' ' C' . . . . . 0.44 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.862 2 O4'-C4'-C3' 94.029 -8.194 . 0.222 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 296' ' ' ' U' . . . . . 0.424 " H2'" " O4'" ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 93.358 -8.673 . 0.628 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 297' ' ' ' A' . . . . . 0.532 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 O4'-C4'-C3' 93.127 -8.838 . 0.53 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . 0.502 ' C2 ' ' C2 ' ' B' ' 284' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 O4'-C4'-C3' 93.623 -8.484 . 0.341 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 299' ' ' ' C' . . . . . 0.596 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.915 3 O4'-C4'-C3' 92.563 -9.241 . 0.552 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 300' ' ' ' U' . . . . . 0.596 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.626 2 C1'-O4'-C4' 117.296 8.551 . 0.287 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 301' ' ' ' C' . . . . . 0.768 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.026 3 O4'-C4'-C3' 92.526 -9.267 . 0.19 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 302' ' ' ' U' . . . . . 0.768 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 C1'-O4'-C4' 117.242 8.491 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 303' ' ' ' G' . . . . . 0.624 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.035 1 O4'-C4'-C3' 91.43 -10.05 . 0.229 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 304' ' ' ' U' . . . . . 0.657 " O2'" ' OP1' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 91.52 -9.986 OUTLIER-EPSILON 0.268 1L . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 305' ' ' ' A' . . . . . 0.657 ' OP1' " O2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 89.933 -11.119 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 306' ' ' ' U' . . . . . 0.489 " O2'" ' OP1' ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 92.47 -9.307 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear build full ' B' B ' 307' ' ' ' C' . . . . . 0.489 ' OP1' " O2'" ' B' ' 306' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 93.312 -8.706 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 308' ' ' ' U' . . . . . 0.483 ' C5 ' ' HG2' ' A' ' 18' ' ' ARG . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 O4'-C4'-C3' 92.511 -9.278 . 0.012 9a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 309' ' ' ' G' . . . . . 0.594 ' O6 ' ' HB2' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 90.117 -10.988 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 310' ' ' ' G' . . . . . 0.517 " C5'" " H3'" ' B' ' 309' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 O4'-C4'-C3' 91.614 -9.918 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 311' ' ' ' C' . . . . . 0.409 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 O4'-C4'-C3' 93.114 -8.847 . 0.276 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 312' ' ' ' G' . . . . . 0.537 ' N1 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.153 7.281 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 313' ' ' ' G' . . . . . 0.537 ' C5 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 C1'-O4'-C4' 116.966 8.185 . 0.17 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 314' ' ' ' A' . . . . . 0.655 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.679 7.866 . 0.655 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 315' ' ' ' C' . . . . . 0.655 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.296 -13.084 2 C1'-O4'-C4' 119.694 11.215 . 0.015 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.02 1 C1'-O4'-C4' 115.837 6.93 . 0.077 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 317' ' ' ' C' . . . . . 0.64 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 C1'-O4'-C4' 117.261 8.512 . 0.389 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 318' ' ' ' G' . . . . . 0.811 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 117.229 8.477 . 0.451 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.494 3.445 2 O4'-C4'-C3' 92.45 -9.321 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 320' ' ' ' G' . . . . . 0.811 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 C1'-O4'-C4' 114.799 5.777 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 321' ' ' ' G' . . . . . 0.693 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.082 3 O4'-C4'-C3' 92.372 -9.377 . 0.114 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 322' ' ' ' U' . . . . . 0.693 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.874 3 O4'-C4'-C3' 91.318 -10.13 . 0.22 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 323' ' ' ' G' . . . . . 0.44 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.927 3 O4'-C4'-C3' 93.559 -8.529 . 0.347 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 324' ' ' ' G' . . . . . 0.704 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.001 0 C3'-C2'-O2' 102.719 -3.648 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 325' ' ' ' A' . . . . . 0.704 ' C6 ' ' C6 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.712 2 C1'-O4'-C4' 116.742 7.935 . 0.109 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 326' ' ' ' A' . . . . . 0.637 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.864 2 C1'-O4'-C4' 116.556 7.729 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 116.733 7.925 . 0.578 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 328' ' ' ' U' . . . . . 0.607 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 117.184 8.426 . 0.751 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 329' ' ' ' G' . . . . . 0.607 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.857 3 O4'-C4'-C3' 91.386 -10.081 . 0.163 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 1 O4'-C4'-C3' 90.899 -10.43 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 331' ' ' ' G' . . . . . 0.656 ' C6 ' ' N6 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.223 8.47 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 332' ' ' ' A' . . . . . 0.656 ' N6 ' ' C6 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.014 2 C1'-O4'-C4' 116.844 8.049 . 0.101 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 333' ' ' ' A' . . . . . 0.548 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 116.72 7.911 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 334' ' ' ' G' . . . . . 0.548 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.02 2 C1'-O4'-C4' 116.542 7.713 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 335' ' ' ' U' . . . . . 0.659 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 117.373 8.637 . 0.629 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 336' ' ' ' U' . . . . . 0.659 ' C4 ' ' N3 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.492 2 C1'-O4'-C4' 117.3 8.556 . 0.474 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 337' ' ' ' C' . . . . . 0.684 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 C1'-O4'-C4' 116.795 7.994 . 0.063 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 338' ' ' ' G' . . . . . 0.684 ' N7 ' ' C4 ' ' B' ' 337' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 O4'-C4'-C3' 90.391 -10.792 . 0.344 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 339' ' ' ' G' . . . . . 0.612 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 100.523 -10.085 OUTLIER-EPSILON 0.01 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 340' ' ' ' A' . . . . . 0.549 ' N7 ' ' N3 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.479 2.148 2 O4'-C4'-C3' 93.007 -8.924 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 341' ' ' ' A' . . . . . 0.452 ' N6 ' " H1'" ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.283 2 C1'-O4'-C4' 117.457 8.73 . 0.66 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 3 C1'-O4'-C4' 116.897 8.107 . 0.162 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 343' ' ' ' A' . . . . . 0.654 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.021 2 C1'-O4'-C4' 117.188 8.431 . 0.593 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 344' ' ' ' C' . . . . . 0.654 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 O4'-C4'-C3' 94.064 -8.168 . 0.578 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 345' ' ' ' C' . . . . . 0.696 ' C4 ' ' C5 ' ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 O4'-C4'-C3' 93.909 -8.279 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 346' ' ' ' C' . . . . . 0.775 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.956 1 O4'-C4'-C3' 90.441 -10.757 . 0.875 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 347' ' ' ' G' . . . . . 0.581 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 O4'-C4'-C3' 93.486 -8.581 . 0.304 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 348' ' ' ' G' . . . . . 0.64 ' N2 ' ' C2 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 91.561 -9.957 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 349' ' ' ' C' . . . . . 0.476 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 O4'-C4'-C3' 91.107 -10.281 . 0.082 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 350' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 3 O4'-C4'-C3' 91.418 -10.058 . 0.456 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 C1'-O4'-C4' 117.202 8.447 . 0.403 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 O4'-C4'-C3' 92.887 -9.009 . 0.603 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 117.034 8.261 . 0.428 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 354' ' ' ' A' . . . . . 0.498 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 94.071 -8.164 . 0.845 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 355' ' ' ' C' . . . . . 0.498 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 93.023 -8.912 . 0.587 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 356' ' ' ' C' . . . . . 0.458 ' C6 ' " H2'" ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 O4'-C4'-C3' 93.626 -8.482 . 0.132 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 357' ' ' ' C' . . . . . 0.447 ' N4 ' ' O4 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 116.16 7.289 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 358' ' ' ' U' . . . . . 0.447 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 93.797 -8.359 . 0.293 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 359' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.055 2 O4'-C4'-C3' 92.833 -9.048 . 0.398 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 360' ' ' ' G' . . . . . 0.501 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 O4'-C4'-C3' 91.546 -9.967 . 0.255 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 361' ' ' ' G' . . . . . 0.501 ' C8 ' " H2'" ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 116.873 8.081 . 0.317 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 362' ' ' ' A' . . . . . 0.472 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 117.209 8.455 . 0.422 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 363' ' ' ' G' . . . . . 0.472 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 117.272 8.525 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 1 C1'-O4'-C4' 104.864 -5.262 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 0 C3'-C2'-O2' 102.711 -3.651 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 0 C3'-C2'-O2' 102.743 -3.64 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 C1'-O4'-C4' 116.501 7.667 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 368' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 O4'-C4'-C3' 93.949 -8.251 . 0.53 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 369' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 117.077 8.308 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 370' ' ' ' C' . . . . . 0.405 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 O4'-C4'-C3' 92.862 -9.027 . 0.3 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 371' ' ' ' A' . . . . . 0.405 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.864 8.072 . 0.377 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 116.969 8.188 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 373' ' ' ' G' . . . . . 0.453 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 C1'-O4'-C4' 116.868 8.075 . 0.013 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 374' ' ' ' G' . . . . . 0.453 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 O4'-C4'-C3' 94.177 -8.088 . 0.032 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 3 O4'-C4'-C3' 93.161 -8.813 . 0.065 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 376' ' ' ' U' . . . . . 0.402 " O3'" ' OP2' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 O4'-C4'-C3' 93.834 -8.333 . 0.532 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.4 ' O ' ' OG1' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 1' ' ' ALA . 19.4 m -160.0 125.5 4.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.358 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -174.7 137.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.6 1.187 . . . . 0.0 109.259 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.435 ' O ' ' CB ' ' A' ' 5' ' ' SER . 11.0 p -170.1 121.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER 163.86 152.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -127.31 -176.73 14.57 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.45 1.094 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 179.35 154.22 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 0.0 110.322 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.02 148.98 1.8 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.08 98.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.262 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 t70 177.23 144.81 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 12' ' ' GLN . 1.8 tpm_? -176.87 -69.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.235 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' ARG . 6.5 mt-30 54.41 168.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.082 . . . . 0.0 110.321 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 14' ' ' GLY . . . 156.85 151.97 6.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 13' ' ' GLY . . . 55.87 162.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -157.22 -61.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.594 0.82 . . . . 0.0 110.237 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.45 80.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.21 160.42 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.991 ' O ' ' N ' ' A' ' 20' ' ' GLN . 2.7 mtt180 -137.27 72.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -45.23 60.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.991 ' N ' ' O ' ' A' ' 18' ' ' ARG . 2.9 tt0 79.87 51.85 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.642 HD12 ' HG2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -87.94 114.17 24.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.496 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 20.9 t0 -80.83 150.53 29.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.448 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 0.2 OUTLIER -67.37 -7.04 21.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 110.385 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.6 25.22 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.372 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 13.9 mt-30 -113.66 179.64 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 46.3 t -101.57 134.98 43.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 108.341 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.576 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -95.34 23.24 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.476 ' O ' ' C2 ' ' B' ' 306' ' ' ' U' . 5.5 t80 -124.35 -63.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.718 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.1 p -96.29 -19.52 19.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 108.325 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.565 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER 93.64 -19.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.718 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.7 OUTLIER -46.7 142.2 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -97.61 135.86 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.26 -47.63 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.545 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 33.1 p-80 -116.52 164.44 14.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.556 0.798 . . . . 0.0 109.633 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -101.06 166.15 10.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.589 1.181 . . . . 0.0 107.98 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.699 ' HB1' " H1'" ' B' ' 307' ' ' ' C' . . . -59.47 -35.35 73.92 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -68.66 -7.52 34.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.29 23.85 4.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.427 1.079 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 23.1 t -72.67 133.22 82.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 108.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.03 1.05 8.19 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -92.37 -20.38 21.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.49 103.76 0.36 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 138.54 23.27 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -139.56 145.05 38.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.52 -178.08 15.31 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.54 1.15 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.17 60.21 Favored 'Cis proline' 0 C--N 1.359 1.085 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.028 -0.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -152.06 105.03 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -149.68 122.71 1.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.19 33.78 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.562 1.822 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -149.11 117.18 3.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.402 1.064 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 179.92 5.63 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -110.18 -61.89 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.8 m 59.08 156.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.7 p -147.21 164.38 33.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.964 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 tp -142.47 153.12 43.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . 0.538 ' C6 ' ' C5 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 117.229 8.477 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 277' ' ' ' G' . . . . . 0.538 ' C5 ' ' C6 ' ' B' ' 276' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.045 2 O4'-C4'-C3' 92.66 -9.171 . 0.818 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 117.073 8.303 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . 0.478 ' C6 ' ' N1 ' ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 O4'-C4'-C3' 92.176 -9.517 . 0.67 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 C1'-O4'-C4' 117.273 8.525 . 0.047 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 281' ' ' ' U' . . . . . 0.448 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -2.012 2 O4'-C4'-C3' 93.298 -8.715 . 0.857 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 282' ' ' AP7 . . . . . 0.473 ' C2 ' ' O2 ' ' B' ' 300' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . 0.402 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 O4'-C4'-C3' 93.046 -8.896 . 0.372 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.964 8.182 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 285' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.856 2 C1'-O4'-C4' 117.259 8.51 . 0.219 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 93.856 -8.317 . 0.45 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 287' ' ' ' U' . . . . . 0.487 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.858 2 O4'-C4'-C3' 93.968 -8.237 . 0.655 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 288' ' ' ' U' . . . . . 0.553 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.115 -8.847 . 0.497 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 289' ' ' ' G' . . . . . 0.553 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 92.272 -9.449 . 0.531 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 290' ' ' ' A' . . . . . 0.641 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 116.033 7.148 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 291' ' ' ' G' . . . . . 0.655 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 117.181 8.424 . 0.048 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 292' ' ' ' A' . . . . . 0.655 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 O4'-C4'-C3' 92.761 -9.099 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 293' ' ' ' A' . . . . . 0.6 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 117.23 8.477 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . 0.409 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 117.004 8.226 . 0.293 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 295' ' ' ' C' . . . . . 0.419 ' C4 ' ' C4 ' ' B' ' 296' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 O4'-C4'-C3' 92.71 -9.136 . 0.366 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 296' ' ' ' U' . . . . . 0.419 ' C4 ' ' C4 ' ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 O4'-C4'-C3' 91.731 -9.835 . 0.57 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 297' ' ' ' A' . . . . . 0.401 ' C8 ' " H2'" ' B' ' 296' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.949 3 O4'-C4'-C3' 93.981 -8.228 . 0.567 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 3 O4'-C4'-C3' 93.119 -8.844 . 0.467 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 299' ' ' ' C' . . . . . 0.603 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.911 3 O4'-C4'-C3' 92.051 -9.606 . 0.679 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 300' ' ' ' U' . . . . . 0.616 ' C4 ' ' N4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.792 2 C1'-O4'-C4' 117.416 8.685 . 0.609 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 301' ' ' ' C' . . . . . 0.808 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.989 3 O4'-C4'-C3' 92.545 -9.254 . 0.241 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 302' ' ' ' U' . . . . . 0.808 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.862 2 O4'-C4'-C3' 93.802 -8.356 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 303' ' ' ' G' . . . . . 0.583 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 O4'-C4'-C3' 90.675 -10.589 . 0.411 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 304' ' ' ' U' . . . . . 0.463 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 93.663 -8.455 . 0.254 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 305' ' ' ' A' . . . . . 0.463 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 C1'-O4'-C4' 116.965 8.184 . 0.082 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 306' ' ' ' U' . . . . . 0.476 ' C2 ' ' O ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C3'--C2' 1.504 -1.866 2 O4'-C4'-C3' 92.131 -9.549 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 307' ' ' ' C' . . . . . 0.699 " H1'" ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.502 -2.056 2 C1'-O4'-C4' 117.096 8.329 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 308' ' ' ' U' . . . . . 0.407 ' C5 ' ' HB1' ' A' ' 27' ' ' ALA . . . . . . . . 0 C3'--C2' 1.505 -1.845 0 C3'-C2'-O2' 102.705 -3.653 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 309' ' ' ' G' . . . . . 0.496 ' N2 ' ' O ' ' A' ' 22' ' ' ASP . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 116.938 8.154 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 310' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 91.792 -9.791 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 93.0 -8.929 . 0.197 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 312' ' ' ' G' . . . . . 0.493 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.555 7.728 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 313' ' ' ' G' . . . . . 0.501 " H2'" ' C8 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 117.073 8.304 . 0.256 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 314' ' ' ' A' . . . . . 0.65 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 117.137 8.375 . 0.724 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 315' ' ' ' C' . . . . . 0.65 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.3 -12.721 2 C1'-O4'-C4' 119.493 10.992 . 0.01 1b . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 316' ' ' ' C' . . . . . 0.531 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 O4'-C4'-C3' 93.167 -8.81 . 0.06 4g . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 317' ' ' ' C' . . . . . 0.645 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.047 2 C1'-O4'-C4' 117.235 8.483 . 0.505 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 318' ' ' ' G' . . . . . 0.805 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 C1'-O4'-C4' 117.291 8.546 . 0.683 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.494 3.396 2 O4'-C4'-C3' 92.184 -9.512 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 320' ' ' ' G' . . . . . 0.805 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.945 3 C1'-O4'-C4' 114.972 5.969 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 321' ' ' ' G' . . . . . 0.601 ' C2 ' ' O2 ' ' B' ' 345' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.049 3 O4'-C4'-C3' 92.181 -9.514 . 0.097 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 322' ' ' ' U' . . . . . 0.527 ' C4 ' ' C5 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.984 3 O4'-C4'-C3' 92.595 -9.218 . 0.146 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 323' ' ' ' G' . . . . . 0.588 ' C6 ' ' C2 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.484 2.592 2 C1'-O4'-C4' 116.383 7.536 . 0.101 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 324' ' ' ' G' . . . . . 0.678 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 116.529 7.699 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 325' ' ' ' A' . . . . . 0.678 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 117.29 8.545 . 0.659 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 326' ' ' ' A' . . . . . 0.634 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 C1'-O4'-C4' 116.699 7.888 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.014 2 C1'-O4'-C4' 117.073 8.303 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 328' ' ' ' U' . . . . . 0.591 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.037 2 C1'-O4'-C4' 117.224 8.471 . 0.9 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 329' ' ' ' G' . . . . . 0.591 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.091 3 O4'-C4'-C3' 90.529 -10.694 . 0.674 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 330' ' ' ' U' . . . . . 0.407 ' C5 ' ' C5 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.198 2 C1'-O4'-C4' 117.374 8.637 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 331' ' ' ' G' . . . . . 0.646 ' C6 ' ' N6 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.972 3 C1'-O4'-C4' 117.262 8.513 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 332' ' ' ' A' . . . . . 0.646 ' N6 ' ' C6 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 116.902 8.114 . 0.116 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 333' ' ' ' A' . . . . . 0.592 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 117.122 8.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 334' ' ' ' G' . . . . . 0.592 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.995 2 C1'-O4'-C4' 116.775 7.972 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 335' ' ' ' U' . . . . . 0.608 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 C1'-O4'-C4' 117.234 8.482 . 0.193 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 336' ' ' ' U' . . . . . 0.608 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.97 3 O4'-C4'-C3' 93.633 -8.476 . 0.462 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 337' ' ' ' C' . . . . . 0.625 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 O4'-C4'-C3' 90.985 -10.368 . 0.367 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 338' ' ' ' G' . . . . . 0.822 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.877 1 O4'-C4'-C3' 90.368 -10.809 . 0.693 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 339' ' ' ' G' . . . . . 0.822 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 99.538 -11.18 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear build full ' B' B ' 340' ' ' ' A' . . . . . 0.797 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.949 3 O4'-C4'-C3' 92.127 -9.552 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 341' ' ' ' A' . . . . . 0.797 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 117.244 8.493 . 0.529 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 C1'-O4'-C4' 116.751 7.946 . 0.337 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 343' ' ' ' A' . . . . . 0.588 ' C2 ' ' C6 ' ' B' ' 323' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 117.041 8.268 . 0.794 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 344' ' ' ' C' . . . . . 0.527 ' C4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 O4'-C4'-C3' 92.218 -9.487 . 0.424 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 345' ' ' ' C' . . . . . 0.601 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 92.834 -9.047 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 346' ' ' ' C' . . . . . 0.667 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 O4'-C4'-C3' 91.082 -10.299 . 0.583 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 347' ' ' ' G' . . . . . 0.645 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 93.652 -8.463 . 0.313 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 348' ' ' ' G' . . . . . 0.658 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 O4'-C4'-C3' 91.993 -9.648 . 0.141 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 349' ' ' ' C' . . . . . 0.658 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 90.909 -10.422 . 0.016 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 350' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 3 O4'-C4'-C3' 91.632 -9.906 . 0.483 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 117.152 8.392 . 0.413 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 93.045 -8.896 . 0.528 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 O4'-C4'-C3' 94.171 -8.092 . 0.393 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 354' ' ' ' A' . . . . . 0.476 ' C6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.082 3 O4'-C4'-C3' 93.214 -8.776 . 0.7 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 355' ' ' ' C' . . . . . 0.476 ' N4 ' ' C6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.484 -8.583 . 0.689 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 356' ' ' ' C' . . . . . 0.434 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 94.24 -8.043 . 0.183 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 357' ' ' ' C' . . . . . 0.444 ' C4 ' ' C5 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.807 2 C1'-O4'-C4' 116.251 7.39 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 358' ' ' ' U' . . . . . 0.444 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 93.188 -8.794 . 0.348 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 359' ' ' ' G' . . . . . 0.476 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 O4'-C4'-C3' 93.844 -8.326 . 0.232 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 360' ' ' ' G' . . . . . 0.476 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.847 2 O4'-C4'-C3' 93.841 -8.328 . 0.199 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 361' ' ' ' G' . . . . . 0.469 ' C8 ' " H2'" ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 C1'-O4'-C4' 117.088 8.32 . 0.36 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 362' ' ' ' A' . . . . . 0.475 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 117.187 8.43 . 0.448 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 363' ' ' ' G' . . . . . 0.475 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 117.211 8.457 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 364' ' ' ' A' . . . . . 0.41 ' C8 ' ' H8 ' ' B' ' 365' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.855 2 O4'-C4'-C3' 91.877 -9.731 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 365' ' ' ' G' . . . . . 0.41 ' H8 ' ' C8 ' ' B' ' 364' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.013 1 C1'-O4'-C4' 104.72 -5.422 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear build full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 C1'-O4'-C4' 116.313 7.459 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 C1'-O4'-C4' 117.1 8.333 . 0.042 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 368' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 O4'-C4'-C3' 93.665 -8.454 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 369' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 O4'-C4'-C3' 93.969 -8.236 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 370' ' ' ' C' . . . . . 0.495 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 O4'-C4'-C3' 92.79 -9.079 . 0.436 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 371' ' ' ' A' . . . . . 0.495 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.793 7.992 . 0.25 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 117.184 8.427 . 0.624 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 373' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.956 8.173 . 0.134 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 374' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.859 3 O4'-C4'-C3' 94.21 -8.064 . 0.603 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 92.469 -9.308 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.803 2 O4'-C4'-C3' 92.708 -9.137 . 0.71 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.6 m -146.51 139.54 25.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.449 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m -138.99 178.28 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.97 147.43 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -179.71 144.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.955 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.99 135.37 5.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.098 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -142.49 179.08 7.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 110.283 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.0 156.23 21.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? 177.25 155.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.237 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.47 128.4 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.17 125.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -176.2 153.03 1.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.0 122.47 1.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.38 134.15 2.51 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -137.14 162.95 32.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -129.08 120.36 25.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -167.84 138.36 2.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.532 ' CB ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -84.87 22.7 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -49.34 -47.6 47.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.973 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.35 35.27 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.775 HD21 ' HB2' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -65.01 96.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.541 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.6 OUTLIER -80.06 146.02 32.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 0.9 OUTLIER -64.25 -7.9 10.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.96 18.48 10.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.491 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -113.8 174.2 6.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.517 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 49.2 t -101.02 129.14 46.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 108.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.775 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -91.16 30.87 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.624 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 14.3 t80 -129.76 -58.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.4 p -103.91 -12.73 16.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 52.3 mmtt 79.22 21.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.66 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -73.66 172.39 11.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.66 116.2 20.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.6 -54.02 0.77 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.463 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 17.4 p-80 -102.04 157.95 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.561 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 3.6 m0 -98.89 160.94 13.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 108.047 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.711 ' HB1' " H1'" ' B' ' 307' ' ' ' C' . . . -58.64 -32.89 69.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.464 ' CD ' " H5'" ' B' ' 376' ' ' ' U' . 13.3 mmtt -64.91 -9.84 24.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.69 32.69 2.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.466 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 34.4 t -73.41 133.99 80.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 108.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.5 Cg_endo -74.89 2.21 6.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.624 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -83.83 -28.12 28.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -43.93 102.3 0.28 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -74.98 172.36 16.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.544 1.812 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 179.56 60.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.424 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . 53.37 169.75 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.424 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -74.98 -169.34 7.26 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.995 0.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.05 116.91 26.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.79 106.7 0.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.87 15.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.5 99.89 1.71 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 173.56 14.31 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -139.27 164.93 28.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.0 m -100.25 149.54 23.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 t -142.64 169.43 17.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.927 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.719 HD12 ' P ' ' B' ' 296' ' ' ' U' . 16.1 tp -92.99 -66.46 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 tp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.878 8.087 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 277' ' ' ' G' . . . . . 0.427 " H2'" " O4'" ' B' ' 278' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 93.03 -8.907 . 0.682 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 278' ' ' ' C' . . . . . 0.427 " O4'" " H2'" ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 117.063 8.293 . 0.36 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 93.697 -8.431 . 0.601 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.033 2 C1'-O4'-C4' 117.238 8.486 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 281' ' ' ' U' . . . . . 0.45 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 O4'-C4'-C3' 93.375 -8.66 . 0.607 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 282' ' ' AP7 . . . . . 0.45 ' N6 ' ' O4 ' ' B' ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . 0.432 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 C1'-O4'-C4' 117.133 8.369 . 0.207 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . 0.493 ' C2 ' ' N2 ' ' B' ' 298' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.844 2 C1'-O4'-C4' 117.239 8.487 . 0.411 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 285' ' ' ' A' . . . . . 0.718 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 117.226 8.474 . 0.357 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 286' ' ' ' G' . . . . . 0.425 ' C5 ' ' C6 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 92.633 -9.191 . 0.939 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 287' ' ' ' U' . . . . . 0.586 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 O4'-C4'-C3' 92.89 -9.007 . 0.587 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 288' ' ' ' U' . . . . . 0.587 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 O4'-C4'-C3' 92.296 -9.431 . 0.592 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 289' ' ' ' G' . . . . . 0.587 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 O4'-C4'-C3' 92.261 -9.456 . 0.583 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 290' ' ' ' A' . . . . . 0.641 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 C1'-O4'-C4' 116.058 7.175 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 291' ' ' ' G' . . . . . 0.705 ' C5 ' ' C6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.826 8.029 . 0.055 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 292' ' ' ' A' . . . . . 0.705 ' C6 ' ' C5 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 117.145 8.383 . 0.257 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 293' ' ' ' A' . . . . . 0.616 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.037 2 C1'-O4'-C4' 117.177 8.419 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . 0.448 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.014 2 C1'-O4'-C4' 117.29 8.545 . 0.809 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 295' ' ' ' C' . . . . . 0.692 H5'' HD11 ' A' ' 55' ' ' LEU . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 93.5 -8.571 . 0.181 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 296' ' ' ' U' . . . . . 0.719 ' P ' HD12 ' A' ' 55' ' ' LEU . . . . . . . . 0 C3'--C2' 1.503 -2.036 2 O4'-C4'-C3' 91.286 -10.153 . 0.535 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 297' ' ' ' A' . . . . . 0.718 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.023 2 O4'-C4'-C3' 92.876 -9.017 . 0.655 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . 0.493 ' N2 ' ' C2 ' ' B' ' 284' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.906 3 O4'-C4'-C3' 92.534 -9.262 . 0.308 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 299' ' ' ' C' . . . . . 0.616 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.001 3 O4'-C4'-C3' 92.089 -9.579 . 0.367 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 300' ' ' ' U' . . . . . 0.616 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.778 2 C1'-O4'-C4' 117.613 8.903 . 0.651 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 301' ' ' ' C' . . . . . 0.798 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.009 3 O4'-C4'-C3' 91.483 -10.012 . 0.162 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 302' ' ' ' U' . . . . . 0.798 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 93.86 -8.314 . 0.048 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 303' ' ' ' G' . . . . . 0.58 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 O4'-C4'-C3' 91.101 -10.285 . 0.675 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 304' ' ' ' U' . . . . . 0.521 ' C6 ' " H2'" ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 O4'-C4'-C3' 93.414 -8.633 . 0.233 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 305' ' ' ' A' . . . . . 0.445 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 116.914 8.127 . 0.018 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 306' ' ' ' U' . . . . . 0.53 " O2'" ' OP1' ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.939 1 O4'-C4'-C3' 91.804 -9.783 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 7a' 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear build full ' B' B ' 307' ' ' ' C' . . . . . 0.711 " H1'" ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.155 8.394 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 308' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 1 O4'-C4'-C3' 90.275 -10.875 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 309' ' ' ' G' . . . . . 0.541 ' N2 ' ' O ' ' A' ' 22' ' ' ASP . . . . . . . . 0 C3'--C2' 1.505 -1.854 1 O4'-C4'-C3' 91.126 -10.267 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 310' ' ' ' G' . . . . . 0.595 ' O6 ' ' C4 ' ' B' ' 376' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.359 0 C3'-C2'-O2' 102.711 -3.651 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 311' ' ' ' C' . . . . . 0.4 ' P ' ' OP1' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 O4'-C4'-C3' 93.611 -8.492 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 312' ' ' ' G' . . . . . 0.66 ' C6 ' ' C6 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.384 7.538 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 313' ' ' ' G' . . . . . 0.66 ' C6 ' ' C6 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 117.184 8.427 . 0.1 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 314' ' ' ' A' . . . . . 0.615 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.801 8.002 . 0.739 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 315' ' ' ' C' . . . . . 0.615 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.297 -13.031 2 C1'-O4'-C4' 119.608 11.12 . 0.021 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 1 C1'-O4'-C4' 115.718 6.798 . 0.182 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 317' ' ' ' C' . . . . . 0.653 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 117.004 8.227 . 0.367 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 318' ' ' ' G' . . . . . 0.805 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 117.163 8.403 . 0.579 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 92.12 -9.557 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 320' ' ' ' G' . . . . . 0.805 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.9 3 C1'-O4'-C4' 115.299 6.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 321' ' ' ' G' . . . . . 0.685 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.996 3 O4'-C4'-C3' 92.243 -9.469 . 0.125 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 322' ' ' ' U' . . . . . 0.685 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.02 3 O4'-C4'-C3' 91.033 -10.334 . 0.421 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 323' ' ' ' G' . . . . . 0.495 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.55 7.722 . 0.356 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 324' ' ' ' G' . . . . . 0.736 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.919 0 C3'-C2'-O2' 102.683 -3.661 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 325' ' ' ' A' . . . . . 0.736 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.976 2 C1'-O4'-C4' 117.442 8.713 . 0.091 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 326' ' ' ' A' . . . . . 0.648 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.478 2.086 2 C1'-O4'-C4' 116.504 7.671 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.863 8.07 . 0.587 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 328' ' ' ' U' . . . . . 0.625 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 O4'-C4'-C3' 93.866 -8.31 . 0.855 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 329' ' ' ' G' . . . . . 0.625 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 91.046 -10.325 . 0.548 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 1 O4'-C4'-C3' 91.095 -10.289 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 331' ' ' ' G' . . . . . 0.609 ' OP2' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.952 3 O4'-C4'-C3' 92.412 -9.349 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 332' ' ' ' A' . . . . . 0.415 ' C8 ' ' N2 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 94.033 -8.191 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 333' ' ' ' A' . . . . . 0.547 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.787 7.985 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 334' ' ' ' G' . . . . . 0.547 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 116.808 8.008 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 335' ' ' ' U' . . . . . 0.611 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 117.229 8.477 . 0.543 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 336' ' ' ' U' . . . . . 0.611 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.941 3 O4'-C4'-C3' 94.01 -8.207 . 0.496 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 337' ' ' ' C' . . . . . 0.625 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 90.975 -10.375 . 0.359 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 338' ' ' ' G' . . . . . 0.827 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 90.38 -10.8 . 0.413 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 339' ' ' ' G' . . . . . 0.827 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 99.303 -11.442 OUTLIER-EPSILON 0.01 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 340' ' ' ' A' . . . . . 0.796 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.48 2.234 2 O4'-C4'-C3' 92.489 -9.293 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 341' ' ' ' A' . . . . . 0.796 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.055 2 C1'-O4'-C4' 117.23 8.478 . 0.229 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.637 7.819 . 0.655 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 343' ' ' ' A' . . . . . 0.619 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 116.888 8.097 . 0.76 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 344' ' ' ' C' . . . . . 0.619 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 O4'-C4'-C3' 93.692 -8.434 . 0.551 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 345' ' ' ' C' . . . . . 0.604 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.057 2 O4'-C4'-C3' 92.225 -9.482 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 346' ' ' ' C' . . . . . 0.724 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 1 O4'-C4'-C3' 91.055 -10.318 . 0.14 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 347' ' ' ' G' . . . . . 0.728 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 94.244 -8.04 . 0.193 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 348' ' ' ' G' . . . . . 0.728 ' C5 ' ' C6 ' ' B' ' 347' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 O4'-C4'-C3' 91.862 -9.741 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 349' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 3 O4'-C4'-C3' 91.745 -9.825 . 0.058 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 350' ' ' ' C' . . . . . 0.421 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.967 3 O4'-C4'-C3' 91.922 -9.699 . 0.462 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 117.165 8.406 . 0.434 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 3 O4'-C4'-C3' 91.846 -9.753 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 353' ' ' ' A' . . . . . 0.493 " H2'" " O4'" ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.993 3 C1'-O4'-C4' 117.17 8.411 . 0.298 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 354' ' ' ' A' . . . . . 0.5 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.848 2 C1'-O4'-C4' 117.02 8.244 . 0.617 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 355' ' ' ' C' . . . . . 0.5 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 93.183 -8.798 . 0.809 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 356' ' ' ' C' . . . . . 0.441 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 92.926 -8.981 . 0.097 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 357' ' ' ' C' . . . . . 0.448 ' N4 ' ' O4 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 C1'-O4'-C4' 116.327 7.475 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 358' ' ' ' U' . . . . . 0.448 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 O4'-C4'-C3' 94.027 -8.195 . 0.374 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 359' ' ' ' G' . . . . . 0.483 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.053 2 O4'-C4'-C3' 92.943 -8.969 . 0.458 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 360' ' ' ' G' . . . . . 0.483 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.898 8.108 . 0.132 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 361' ' ' ' G' . . . . . 0.492 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 O4'-C4'-C3' 93.604 -8.497 . 0.342 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 362' ' ' ' A' . . . . . 0.492 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.873 2 C1'-O4'-C4' 117.203 8.448 . 0.513 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 363' ' ' ' G' . . . . . 0.468 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 117.196 8.44 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 364' ' ' ' A' . . . . . 0.442 " H3'" ' N3 ' ' B' ' 364' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.87 3 O4'-C4'-C3' 91.837 -9.759 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 1 C1'-O4'-C4' 113.755 4.616 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 117.19 8.433 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.022 2 C1'-O4'-C4' 116.935 8.15 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 368' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 O4'-C4'-C3' 93.042 -8.899 . 0.417 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 369' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 116.957 8.174 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 370' ' ' ' C' . . . . . 0.419 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.069 2 O4'-C4'-C3' 93.286 -8.724 . 0.073 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 371' ' ' ' A' . . . . . 0.419 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 116.91 8.122 . 0.461 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 117.259 8.509 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 373' ' ' ' G' . . . . . 0.459 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 C1'-O4'-C4' 116.937 8.153 . 0.046 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 374' ' ' ' G' . . . . . 0.459 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 117.066 8.296 . 0.196 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 375' ' ' ' U' . . . . . 0.426 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.002 3 O4'-C4'-C3' 93.516 -8.56 . 0.133 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 376' ' ' ' U' . . . . . 0.595 ' C4 ' ' O6 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 117.008 8.231 . 0.231 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 51.4 m -118.85 153.33 34.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.0 p -85.89 161.03 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.243 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -117.64 149.25 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.96 167.9 20.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.43 -153.5 18.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.561 1.163 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -171.71 145.18 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 0.754 . . . . 0.0 110.28 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.73 163.31 30.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -155.93 159.36 39.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -123.85 -175.26 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.222 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.91 112.56 3.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.88 -160.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.64 138.09 6.34 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.13 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.15 -156.35 14.23 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 61.34 154.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 0.805 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -171.14 144.69 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.37 126.16 7.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 1.06 ' O ' ' N ' ' A' ' 20' ' ' GLN . 8.5 mtt85 -86.22 67.93 10.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.572 ' C ' ' O ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -25.21 65.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.454 1.096 . . . . 0.0 110.015 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 1.06 ' N ' ' O ' ' A' ' 18' ' ' ARG . 5.2 pm0 48.84 44.65 22.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.719 HD11 ' HB2' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -47.15 110.42 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.487 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.4 OUTLIER -76.25 150.82 36.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.604 1.19 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 16.0 mmt180 -69.43 -3.93 16.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' OE1' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -127.66 23.37 6.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.434 ' NE2' ' CG ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -111.7 174.89 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 43.1 t -109.76 135.44 50.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 108.261 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.719 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -94.48 32.15 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.605 ' CE2' ' OP2' ' B' ' 307' ' ' ' C' . 15.0 t80 -134.24 -58.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.994 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.0 p -101.58 -17.72 16.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 108.318 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.604 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 18.3 mmtt 79.16 25.98 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.669 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.5 mt-10 -84.55 177.56 8.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -127.91 128.48 45.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.09 -45.22 1.15 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.654 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 37.8 p-80 -114.21 164.78 13.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.598 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -101.16 169.05 9.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 108.023 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.62 ' HB2' ' O6 ' ' B' ' 309' ' ' ' G' . . . -58.35 -41.07 83.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -71.99 -1.93 16.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.24 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.19 16.15 7.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.654 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 22.1 t -68.11 132.51 91.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 108.233 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.0 0.46 8.88 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.536 1.808 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.514 ' HE2' ' C4 ' ' B' ' 306' ' ' ' U' . 1.4 mtpt -95.09 -20.22 19.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 121.43 64.08 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 69.25 5.59 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 136.39 39.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.76 -174.1 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 124.66 10.35 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.011 -2.495 . . . . 0.0 110.942 0.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.49 154.67 51.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.229 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.56 105.91 0.23 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 65.44 6.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 118.31 43.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 110.24 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 143.33 28.99 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.565 1.824 . . . . 0.0 110.986 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -113.5 146.72 39.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 t -167.32 159.55 12.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.376 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.18 156.37 42.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.98 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.5 tp -174.09 150.38 1.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.5 tp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.063 2 C1'-O4'-C4' 116.908 8.12 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 O4'-C4'-C3' 93.585 -8.511 . 0.412 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.094 2 O4'-C4'-C3' 93.18 -8.8 . 0.506 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 93.155 -8.818 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 117.12 8.355 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 281' ' ' ' U' . . . . . 0.454 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -2.039 2 O4'-C4'-C3' 93.376 -8.66 . 0.281 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 282' ' ' AP7 . . . . . 0.549 ' C2 ' ' O2 ' ' B' ' 300' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . 0.407 " O4'" " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 117.141 8.379 . 0.458 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 117.245 8.495 . 0.291 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 285' ' ' ' A' . . . . . 0.464 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 117.278 8.531 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 286' ' ' ' G' . . . . . 0.437 ' O6 ' ' N6 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 92.602 -9.213 . 0.373 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 287' ' ' ' U' . . . . . 0.495 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 O4'-C4'-C3' 92.944 -8.969 . 0.612 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 288' ' ' ' U' . . . . . 0.516 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 O4'-C4'-C3' 91.867 -9.738 . 0.422 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 289' ' ' ' G' . . . . . 0.516 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 O4'-C4'-C3' 91.658 -9.887 . 0.553 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 290' ' ' ' A' . . . . . 0.641 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 115.918 7.02 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 291' ' ' ' G' . . . . . 0.646 " H2'" ' C4 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.871 2 C1'-O4'-C4' 117.152 8.391 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 292' ' ' ' A' . . . . . 0.646 ' C4 ' " H2'" ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 92.539 -9.258 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 293' ' ' ' A' . . . . . 0.538 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 117.234 8.482 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . 0.459 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 O4'-C4'-C3' 93.987 -8.224 . 0.063 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 295' ' ' ' C' . . . . . 0.459 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 92.683 -9.155 . 0.207 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 92.2 -9.5 . 0.565 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 297' ' ' ' A' . . . . . 0.464 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.913 3 O4'-C4'-C3' 93.433 -8.619 . 0.65 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 O4'-C4'-C3' 93.293 -8.719 . 0.66 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 299' ' ' ' C' . . . . . 0.648 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.054 3 O4'-C4'-C3' 92.064 -9.597 . 0.455 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 300' ' ' ' U' . . . . . 0.653 ' C4 ' ' N4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.466 2 C1'-O4'-C4' 117.311 8.568 . 0.513 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 301' ' ' ' C' . . . . . 0.837 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.057 3 O4'-C4'-C3' 93.034 -8.905 . 0.173 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 302' ' ' ' U' . . . . . 0.837 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.861 2 C1'-O4'-C4' 117.095 8.328 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 303' ' ' ' G' . . . . . 0.51 " O4'" " H2'" ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 O4'-C4'-C3' 92.766 -9.096 . 0.192 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 304' ' ' ' U' . . . . . 0.419 " C3'" H5'' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 O4'-C4'-C3' 91.814 -9.776 . 0.051 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 305' ' ' ' A' . . . . . 0.419 H5'' " C3'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.958 1 C1'-O4'-C4' 115.37 6.411 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 306' ' ' ' U' . . . . . 0.514 ' C4 ' ' HE2' ' A' ' 41' ' ' LYS . . . . . . . . 0 C3'--C2' 1.503 -1.973 1 O4'-C4'-C3' 91.845 -9.754 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 307' ' ' ' C' . . . . . 0.605 ' OP2' ' CE2' ' A' ' 28' ' ' TYR . . . . . . . . 0 C3'--C2' 1.503 -2.043 2 C1'-O4'-C4' 116.943 8.159 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 308' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 92.374 -9.376 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 309' ' ' ' G' . . . . . 0.62 ' O6 ' ' HB2' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -2.025 1 O4'-C4'-C3' 90.954 -10.39 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 310' ' ' ' G' . . . . . 0.403 ' OP2' " O3'" ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.862 2 O4'-C4'-C3' 92.174 -9.519 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 O4'-C4'-C3' 93.516 -8.56 . 0.331 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 312' ' ' ' G' . . . . . 0.687 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 116.631 7.812 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 313' ' ' ' G' . . . . . 0.692 ' N1 ' ' C2 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.959 2 C1'-O4'-C4' 117.297 8.552 . 0.232 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 314' ' ' ' A' . . . . . 0.692 ' C2 ' ' N1 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.848 2 C1'-O4'-C4' 116.649 7.832 . 0.094 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 315' ' ' ' C' . . . . . 0.675 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.303 -12.505 2 C1'-O4'-C4' 119.502 11.003 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 4 3 . 1 . 015 nuclear build full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 92.637 -9.188 . 0.308 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 317' ' ' ' C' . . . . . 0.488 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 93.178 -8.801 . 0.476 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 318' ' ' ' G' . . . . . 0.794 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 117.322 8.58 . 0.204 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.489 2.994 2 O4'-C4'-C3' 91.871 -9.735 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 320' ' ' ' G' . . . . . 0.794 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 3 C1'-O4'-C4' 115.001 6.001 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 321' ' ' ' G' . . . . . 0.567 ' C5 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.977 3 O4'-C4'-C3' 92.36 -9.386 . 0.083 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 322' ' ' ' U' . . . . . 0.466 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.976 3 O4'-C4'-C3' 91.499 -10.001 . 0.5 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 323' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 116.776 7.973 . 0.323 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 324' ' ' ' G' . . . . . 0.635 ' N1 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.998 0 C3'-C2'-O2' 102.686 -3.66 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 325' ' ' ' A' . . . . . 0.635 ' C6 ' ' N1 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.681 2 C1'-O4'-C4' 117.331 8.59 . 0.044 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 326' ' ' ' A' . . . . . 0.634 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.644 7.826 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.842 2 C1'-O4'-C4' 116.714 7.905 . 0.371 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 328' ' ' ' U' . . . . . 0.522 ' N3 ' ' C5 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.87 2 C1'-O4'-C4' 116.884 8.093 . 0.794 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 329' ' ' ' G' . . . . . 0.592 ' C5 ' ' OP2' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.045 3 O4'-C4'-C3' 91.014 -10.347 . 0.357 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 1 O4'-C4'-C3' 90.86 -10.457 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 331' ' ' ' G' . . . . . 0.638 ' C2 ' ' N1 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.843 3 C1'-O4'-C4' 117.154 8.394 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 332' ' ' ' A' . . . . . 0.638 ' N1 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.882 8.091 . 0.016 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 333' ' ' ' A' . . . . . 0.568 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 C1'-O4'-C4' 116.244 7.382 . 0.1 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 334' ' ' ' G' . . . . . 0.568 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 116.591 7.768 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 335' ' ' ' U' . . . . . 0.625 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.871 2 C1'-O4'-C4' 117.23 8.478 . 0.418 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 336' ' ' ' U' . . . . . 0.625 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.065 2 C1'-O4'-C4' 117.192 8.436 . 0.321 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 337' ' ' ' C' . . . . . 0.697 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.844 2 C1'-O4'-C4' 117.315 8.572 . 0.123 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 338' ' ' ' G' . . . . . 0.697 ' N7 ' ' C4 ' ' B' ' 337' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 O4'-C4'-C3' 90.378 -10.801 . 0.31 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 339' ' ' ' G' . . . . . 0.673 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 100.482 -10.131 OUTLIER-EPSILON 0.014 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 340' ' ' ' A' . . . . . 0.57 ' N7 ' ' N3 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.481 2.332 2 O4'-C4'-C3' 92.675 -9.161 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 341' ' ' ' A' . . . . . 0.495 ' C5 ' ' C6 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.334 2 C1'-O4'-C4' 117.449 8.721 . 0.407 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 C1'-O4'-C4' 116.068 7.187 . 0.032 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 343' ' ' ' A' . . . . . 0.507 ' N6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.047 2 C1'-O4'-C4' 117.222 8.468 . 0.692 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 344' ' ' ' C' . . . . . 0.507 ' N4 ' ' N6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 O4'-C4'-C3' 92.834 -9.047 . 0.455 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 345' ' ' ' C' . . . . . 0.65 ' C4 ' ' C5 ' ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 117.183 8.426 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 346' ' ' ' C' . . . . . 0.65 ' C5 ' ' C4 ' ' B' ' 345' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.882 1 O4'-C4'-C3' 90.303 -10.855 . 0.55 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 347' ' ' ' G' . . . . . 0.618 ' C6 ' ' C6 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 93.665 -8.453 . 0.172 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 348' ' ' ' G' . . . . . 0.618 ' C6 ' ' C6 ' ' B' ' 347' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 O4'-C4'-C3' 91.876 -9.731 . 0.058 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 349' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 O4'-C4'-C3' 91.294 -10.147 . 0.063 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 350' ' ' ' C' . . . . . 0.453 ' O2 ' ' N2 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 3 O4'-C4'-C3' 90.939 -10.4 . 0.59 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 117.121 8.357 . 0.411 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 3 O4'-C4'-C3' 92.332 -9.406 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 117.1 8.333 . 0.323 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 354' ' ' ' A' . . . . . 0.496 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 117.263 8.514 . 0.557 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 355' ' ' ' C' . . . . . 0.496 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 92.873 -9.019 . 0.8 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 356' ' ' ' C' . . . . . 0.451 ' C6 ' " H2'" ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.842 2 O4'-C4'-C3' 92.974 -8.947 . 0.514 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 357' ' ' ' C' . . . . . 0.417 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 116.241 7.379 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 358' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 O4'-C4'-C3' 94.17 -8.093 . 0.383 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 359' ' ' ' G' . . . . . 0.413 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 92.997 -8.931 . 0.028 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 360' ' ' ' G' . . . . . 0.451 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 93.373 -8.662 . 0.303 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 361' ' ' ' G' . . . . . 0.451 ' C8 ' " H2'" ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 117.046 8.273 . 0.583 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 362' ' ' ' A' . . . . . 0.469 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 117.228 8.475 . 0.266 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 363' ' ' ' G' . . . . . 0.469 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 C1'-O4'-C4' 117.2 8.445 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 0 C3'-C2'-O2' 102.719 -3.649 . 0.025 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 1 C1'-O4'-C4' 115.64 6.711 . 0.015 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 0 C3'-C2'-O2' 102.674 -3.664 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 117.264 8.516 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 368' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.041 2 O4'-C4'-C3' 91.984 -9.655 . 0.292 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 369' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 93.513 -8.562 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.022 2 O4'-C4'-C3' 93.097 -8.86 . 0.369 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 C1'-O4'-C4' 116.904 8.116 . 0.294 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.014 2 C1'-O4'-C4' 117.221 8.468 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 373' ' ' ' G' . . . . . 0.485 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 117.238 8.486 . 0.04 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 374' ' ' ' G' . . . . . 0.485 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.886 8.096 . 0.281 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 375' ' ' ' U' . . . . . 0.412 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 O4'-C4'-C3' 92.378 -9.373 . 0.545 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 376' ' ' ' U' . . . . . 0.403 " O3'" ' OP2' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 93.291 -8.721 . 0.173 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -165.49 151.65 9.7 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.1 p -168.03 157.09 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -151.4 155.62 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -171.8 151.0 2.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.042 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.3 -167.74 14.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -130.39 154.78 47.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 0.729 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.97 160.59 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -172.86 155.79 3.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.79 149.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.251 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.66 132.04 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.83 155.44 19.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.241 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.64 140.86 4.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.57 1.169 . . . . 0.0 111.054 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.54 53.84 0.62 Allowed Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 179.87 159.72 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -65.45 166.85 9.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.99 126.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.577 ' C ' ' H ' ' A' ' 20' ' ' GLN . 1.2 mtt85 -85.67 38.63 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.578 ' O ' ' CB ' ' A' ' 20' ' ' GLN . 3.2 t 69.64 -39.35 0.43 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.981 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.578 ' CB ' ' O ' ' A' ' 19' ' ' SER . 0.8 OUTLIER 152.73 31.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.515 HD21 ' HB2' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -37.9 103.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.521 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.5 OUTLIER -82.16 147.78 28.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.205 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.496 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 21.3 tpp180 -66.87 -5.7 13.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -127.45 27.03 5.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.444 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -120.76 171.81 8.33 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 42.3 t -100.8 132.43 46.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.515 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -93.09 26.82 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.431 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 32.8 t80 -129.87 -56.97 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 29.0 p -105.55 -16.23 14.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 108.347 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 4.3 mmtt 91.26 -23.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.544 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 45.0 mt-10 -40.58 143.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 136.67 39.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 128.84 -48.52 0.97 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 32.0 p-80 -113.09 169.84 8.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.645 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -106.82 165.36 11.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.135 . . . . 0.0 107.987 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.579 ' HB1' " H1'" ' B' ' 307' ' ' ' C' . . . -58.93 -36.88 75.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -69.77 -5.35 24.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.02 20.29 4.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.556 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 21.2 t -67.91 132.92 92.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.332 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.4 Cg_endo -75.07 0.97 8.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.463 ' HE2' ' C5 ' ' B' ' 306' ' ' ' U' . 1.1 mtpt -91.36 -20.7 21.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.42 ' CD ' ' NH1' ' A' ' 44' ' ' ARG . 7.3 mttt -48.89 105.73 0.54 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 81.33 2.24 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.484 1.781 . . . . 0.0 111.037 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -173.26 59.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.52 -177.41 30.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.601 1.188 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -60.07 0.09 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.943 -2.524 . . . . 0.0 111.02 0.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 177.84 161.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.355 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.12 79.58 0.04 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 171.14 18.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.401 ' NH1' ' O2 ' ' B' ' 281' ' ' ' U' . 1.9 ttt180 -138.67 81.74 22.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 127.76 10.94 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.76 155.23 29.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.4 m -145.95 120.88 9.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 110.444 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.57 137.15 4.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.184 . . . . 0.0 110.022 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.35 165.24 18.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . 0.648 ' C6 ' ' C5 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 116.717 7.907 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 277' ' ' ' G' . . . . . 0.648 ' C5 ' ' C6 ' ' B' ' 276' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 O4'-C4'-C3' 91.464 -10.026 . 0.841 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 92.18 -9.514 . 0.531 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . 0.537 ' C6 ' ' C6 ' ' B' ' 280' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 92.449 -9.322 . 0.583 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 280' ' ' ' G' . . . . . 0.537 ' C6 ' ' C6 ' ' B' ' 279' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.028 2 C1'-O4'-C4' 117.258 8.509 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 281' ' ' ' U' . . . . . 0.447 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 O4'-C4'-C3' 93.673 -8.448 . 0.308 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 282' ' ' AP7 . . . . . 0.469 ' C2 ' ' O2 ' ' B' ' 300' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . 0.447 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.919 3 O4'-C4'-C3' 93.343 -8.683 . 0.426 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.872 8.08 . 0.216 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 285' ' ' ' A' . . . . . 0.51 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 117.117 8.352 . 0.348 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 286' ' ' ' G' . . . . . 0.411 ' C5 ' ' C6 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 93.228 -8.766 . 0.469 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 287' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 92.488 -9.294 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 288' ' ' ' U' . . . . . 0.596 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 92.649 -9.18 . 0.831 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 289' ' ' ' G' . . . . . 0.596 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.953 3 O4'-C4'-C3' 91.767 -9.81 . 0.248 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 290' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 O4'-C4'-C3' 92.612 -9.206 . 0.081 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 291' ' ' ' G' . . . . . 0.762 ' C2 ' ' C2 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 116.917 8.13 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 292' ' ' ' A' . . . . . 0.762 ' C2 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 O4'-C4'-C3' 93.345 -8.682 . 0.038 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 293' ' ' ' A' . . . . . 0.404 ' C6 ' ' N2 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.012 2 C1'-O4'-C4' 116.864 8.071 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . 0.448 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 C1'-O4'-C4' 117.268 8.52 . 0.76 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 295' ' ' ' C' . . . . . 0.448 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 94.084 -8.154 . 0.278 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 296' ' ' ' U' . . . . . 0.444 " H2'" " O4'" ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 117.202 8.447 . 0.483 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 297' ' ' ' A' . . . . . 0.51 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 93.746 -8.396 . 0.436 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 3 O4'-C4'-C3' 93.439 -8.615 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 299' ' ' ' C' . . . . . 0.602 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.913 3 O4'-C4'-C3' 92.186 -9.51 . 0.27 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 300' ' ' ' U' . . . . . 0.602 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.41 -3.548 2 C1'-O4'-C4' 117.711 9.012 . 0.549 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 301' ' ' ' C' . . . . . 0.817 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.926 3 O4'-C4'-C3' 92.192 -9.505 . 0.115 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 302' ' ' ' U' . . . . . 0.817 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 93.349 -8.679 . 0.362 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 303' ' ' ' G' . . . . . 0.437 " O4'" " H2'" ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 92.518 -9.273 . 0.327 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 304' ' ' ' U' . . . . . 0.723 " O2'" ' OP1' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.048 2 C1'-O4'-C4' 115.954 7.06 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear build full ' B' B ' 305' ' ' ' A' . . . . . 0.723 ' OP1' " O2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.932 1 O4'-C4'-C3' 90.975 -10.375 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 306' ' ' ' U' . . . . . 0.488 " O2'" ' OP1' ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 O4'-C4'-C3' 92.371 -9.378 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear build full ' B' B ' 307' ' ' ' C' . . . . . 0.579 " H1'" ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -2.035 2 O4'-C4'-C3' 93.544 -8.54 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 308' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.035 2 O4'-C4'-C3' 92.256 -9.46 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 309' ' ' ' G' . . . . . 0.521 ' N2 ' ' O ' ' A' ' 22' ' ' ASP . . . . . . . . 0 C3'--C2' 1.505 -1.859 1 O4'-C4'-C3' 90.999 -10.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 310' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 O4'-C4'-C3' 92.447 -9.323 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 O4'-C4'-C3' 93.351 -8.678 . 0.331 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 312' ' ' ' G' . . . . . 0.543 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 115.997 7.108 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 313' ' ' ' G' . . . . . 0.648 ' N1 ' ' C2 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.507 2 C1'-O4'-C4' 116.864 8.071 . 0.069 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 314' ' ' ' A' . . . . . 0.662 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.469 7.633 . 0.06 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 315' ' ' ' C' . . . . . 0.662 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.304 -12.384 2 C1'-O4'-C4' 119.445 10.939 . 0.01 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 316' ' ' ' C' . . . . . 0.468 " H2'" " O4'" ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.964 1 C1'-O4'-C4' 115.761 6.845 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 317' ' ' ' C' . . . . . 0.468 " O4'" " H2'" ' B' ' 316' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.213 2 O4'-C4'-C3' 93.722 -8.413 . 0.148 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 318' ' ' ' G' . . . . . 0.914 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.799 2 O4'-C4'-C3' 91.633 -9.905 . 0.715 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 319' ' ' ' U' . . . . . 0.612 H5'' " H3'" ' B' ' 318' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.524 5.937 2 O4'-C4'-C3' 88.781 -11.942 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear build full ' B' B ' 320' ' ' ' G' . . . . . 0.914 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.86 3 C5'-C4'-O4' 100.334 -6.333 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 321' ' ' ' G' . . . . . 0.678 ' C5 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.989 3 O4'-C4'-C3' 92.018 -9.63 . 0.068 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 322' ' ' ' U' . . . . . 0.431 ' C4 ' ' C5 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.936 3 O4'-C4'-C3' 91.694 -9.861 . 0.292 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 323' ' ' ' G' . . . . . 0.458 ' C6 ' ' C2 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.405 7.562 . 0.337 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 324' ' ' ' G' . . . . . 0.704 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.891 0 C3'-C2'-O2' 102.712 -3.651 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 325' ' ' ' A' . . . . . 0.704 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 117.169 8.41 . 0.132 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 326' ' ' ' A' . . . . . 0.605 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.677 7.864 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.831 2 C1'-O4'-C4' 116.723 7.914 . 0.637 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 328' ' ' ' U' . . . . . 0.653 ' C4 ' ' N7 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.418 8.686 . 0.851 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 329' ' ' ' G' . . . . . 0.653 ' N7 ' ' C4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 91.335 -10.118 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 330' ' ' ' U' . . . . . 0.417 ' C5 ' ' C5 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.541 2 C1'-O4'-C4' 117.508 8.787 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 331' ' ' ' G' . . . . . 0.718 ' C2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.977 3 C1'-O4'-C4' 117.272 8.525 . 0.134 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 332' ' ' ' A' . . . . . 0.718 ' C2 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 117.331 8.59 . 0.122 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 333' ' ' ' A' . . . . . 0.599 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 117.069 8.299 . 0.033 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 334' ' ' ' G' . . . . . 0.599 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 C1'-O4'-C4' 116.833 8.037 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 335' ' ' ' U' . . . . . 0.611 ' C4 ' ' O4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.854 2 C1'-O4'-C4' 117.236 8.484 . 0.221 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 336' ' ' ' U' . . . . . 0.611 ' O4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.966 3 O4'-C4'-C3' 93.84 -8.328 . 0.451 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 337' ' ' ' C' . . . . . 0.616 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 91.11 -10.279 . 0.439 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 338' ' ' ' G' . . . . . 0.806 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.039 1 O4'-C4'-C3' 90.098 -11.002 . 0.354 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 339' ' ' ' G' . . . . . 0.806 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.839 2 C1'-O4'-C4' 99.351 -11.388 OUTLIER-EPSILON 0.01 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 340' ' ' ' A' . . . . . 0.811 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.036 3 O4'-C4'-C3' 93.225 -8.768 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 341' ' ' ' A' . . . . . 0.811 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 117.431 8.702 . 0.518 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 116.632 7.813 . 0.657 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 343' ' ' ' A' . . . . . 0.607 ' C5 ' ' C4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 117.122 8.357 . 0.681 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 344' ' ' ' C' . . . . . 0.607 ' C4 ' ' C5 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 O4'-C4'-C3' 93.731 -8.406 . 0.538 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 345' ' ' ' C' . . . . . 0.508 ' N4 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.483 2.48 2 O4'-C4'-C3' 94.122 -8.127 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 346' ' ' ' C' . . . . . 0.501 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 91.788 -9.794 . 0.664 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 347' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 92.867 -9.023 . 0.474 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 348' ' ' ' G' . . . . . 0.661 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 O4'-C4'-C3' 93.389 -8.651 . 0.651 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 349' ' ' ' C' . . . . . 0.661 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 91.803 -9.784 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 350' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.053 3 O4'-C4'-C3' 91.147 -10.252 . 0.295 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 117.292 8.546 . 0.294 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 O4'-C4'-C3' 92.458 -9.316 . 0.398 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 O4'-C4'-C3' 94.107 -8.138 . 0.346 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 354' ' ' ' A' . . . . . 0.528 ' C6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 116.989 8.21 . 0.318 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 355' ' ' ' C' . . . . . 0.528 ' N4 ' ' C6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 O4'-C4'-C3' 93.792 -8.363 . 0.586 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 356' ' ' ' C' . . . . . 0.434 ' C6 ' " H2'" ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 O4'-C4'-C3' 94.186 -8.081 . 0.628 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 357' ' ' ' C' . . . . . 0.463 ' C4 ' ' C5 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 115.962 7.069 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 358' ' ' ' U' . . . . . 0.463 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 O4'-C4'-C3' 91.67 -9.879 . 0.098 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 359' ' ' ' G' . . . . . 0.508 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.883 2 O4'-C4'-C3' 91.952 -9.677 . 0.463 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 360' ' ' ' G' . . . . . 0.508 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 O4'-C4'-C3' 93.8 -8.357 . 0.331 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 361' ' ' ' G' . . . . . 0.472 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 94.416 -7.917 . 0.37 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 362' ' ' ' A' . . . . . 0.472 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.609 7.788 . 0.528 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 363' ' ' ' G' . . . . . 0.45 " C5'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.563 2 C1'-O4'-C4' 117.284 8.538 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 1 C1'-O4'-C4' 105.303 -4.775 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 1 C5'-C4'-O4' 103.408 -4.137 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.075 1 C1'-O4'-C4' 115.228 6.253 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 117.284 8.538 . 0.618 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 368' ' ' ' C' . . . . . 0.443 " H2'" ' C6 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 92.33 -9.407 . 0.112 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 369' ' ' ' C' . . . . . 0.443 ' C6 ' " H2'" ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 93.912 -8.277 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 92.494 -9.29 . 0.14 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 116.834 8.038 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 93.94 -8.257 . 0.709 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 373' ' ' ' G' . . . . . 0.475 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 116.912 8.124 . 0.701 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 374' ' ' ' G' . . . . . 0.503 ' C6 ' ' C4 ' ' B' ' 375' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 O4'-C4'-C3' 94.158 -8.102 . 0.221 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 375' ' ' ' U' . . . . . 0.503 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 O4'-C4'-C3' 91.598 -9.93 . 0.837 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.027 2 O4'-C4'-C3' 92.568 -9.237 . 0.468 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 m 63.19 137.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.443 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.1 m -110.76 151.2 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 63.6 t -110.25 -77.56 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.9 p -61.43 136.91 58.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 152.47 131.82 1.73 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -125.95 -72.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 110.351 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.0 mttm 52.02 99.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -87.76 152.45 22.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -161.36 162.0 30.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.55 106.5 3.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.454 1.096 . . . . 0.0 110.34 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 177.99 128.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.58 171.4 31.91 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.68 154.98 26.18 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.76 115.25 9.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 110.255 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 5.1 tmt_? 179.28 142.0 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.423 ' N ' ' HD3' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -160.34 -78.67 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 0.0 110.344 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 1.103 ' O ' ' N ' ' A' ' 20' ' ' GLN . 2.1 mtt180 36.39 61.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.256 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 0.5 OUTLIER -33.03 61.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.036 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 1.103 ' N ' ' O ' ' A' ' 18' ' ' ARG . 41.1 mt-30 67.7 56.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.579 HD12 ' HG2' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -73.61 101.2 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.464 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.2 OUTLIER -76.41 150.02 36.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -65.84 -9.41 28.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -123.15 27.36 7.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.9 mt-30 -119.0 170.84 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 37.9 t -98.33 134.11 41.8 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.471 1.107 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.527 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -93.3 21.49 6.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.595 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 22.7 t80 -125.32 -63.85 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 111.037 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.749 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 28.4 p -96.49 -20.63 18.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 108.324 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.4 OUTLIER 95.73 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.749 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -41.35 143.18 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -101.16 142.36 32.71 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.202 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.39 -46.74 1.06 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 16.8 p-80 -113.96 155.85 25.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -90.49 165.96 13.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 108.05 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.614 ' HB2' ' O6 ' ' B' ' 309' ' ' ' G' . . . -58.56 -39.97 81.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.413 ' NZ ' " O2'" ' B' ' 307' ' ' ' C' . 0.1 OUTLIER -69.95 -6.29 32.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.12 19.22 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.574 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 35.5 t -72.32 130.61 85.88 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 108.293 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 0.57 8.69 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.595 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 1.5 ttmt -82.63 -16.85 46.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.413 ' NZ ' ' N3 ' ' B' ' 307' ' ' ' C' . 9.6 mttt -47.06 104.87 0.43 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.57 ' HB3' ' C6 ' ' B' ' 276' ' ' ' G' . 18.4 Cg_endo -75.0 172.48 16.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.481 ' CZ ' ' P ' ' B' ' 276' ' ' ' G' . 6.5 mtm180 -137.3 135.52 37.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.343 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.424 ' HA2' ' N ' ' A' ' 47' ' ' ARG . . . -70.61 -175.85 19.67 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 119.24 5.84 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.023 -0.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' N ' ' HA2' ' A' ' 45' ' ' GLY . 1.6 tpm_? -150.22 88.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.08 113.96 3.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.437 1.086 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.65 34.14 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.477 1.777 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.58 88.17 0.12 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -45.62 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.416 1.746 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 176.38 136.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.8 m -108.56 -72.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.374 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.8 p -139.3 147.4 41.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.168 . . . . 0.0 110.056 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mp -83.8 67.85 9.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 tt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.27 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . 0.635 ' N1 ' ' C5 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.068 2 C1'-O4'-C4' 117.304 8.56 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 277' ' ' ' G' . . . . . 0.635 ' C5 ' ' N1 ' ' B' ' 276' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 O4'-C4'-C3' 91.657 -9.888 . 0.716 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.828 2 O4'-C4'-C3' 92.709 -9.136 . 0.416 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 93.081 -8.871 . 0.635 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 280' ' ' ' G' . . . . . 0.415 ' C2 ' ' O2 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.873 2 C1'-O4'-C4' 117.143 8.381 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 281' ' ' ' U' . . . . . 0.447 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 O4'-C4'-C3' 93.233 -8.762 . 0.279 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 282' ' ' AP7 . . . . . 0.472 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . 0.472 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 O4'-C4'-C3' 94.066 -8.167 . 0.441 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.845 2 C1'-O4'-C4' 117.234 8.483 . 0.213 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 285' ' ' ' A' . . . . . 0.424 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 117.275 8.528 . 0.118 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 93.161 -8.814 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 287' ' ' ' U' . . . . . 0.492 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 92.857 -9.031 . 0.662 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 288' ' ' ' U' . . . . . 0.519 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 92.464 -9.311 . 0.611 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 289' ' ' ' G' . . . . . 0.519 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 92.004 -9.64 . 0.567 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 290' ' ' ' A' . . . . . 0.651 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.05 2 C1'-O4'-C4' 116.014 7.127 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 291' ' ' ' G' . . . . . 0.654 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.232 8.48 . 0.022 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 292' ' ' ' A' . . . . . 0.654 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.038 2 O4'-C4'-C3' 92.41 -9.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 293' ' ' ' A' . . . . . 0.485 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 117.197 8.442 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . 0.433 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 117.052 8.28 . 0.215 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 295' ' ' ' C' . . . . . 0.433 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 O4'-C4'-C3' 93.131 -8.835 . 0.357 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 91.897 -9.716 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 297' ' ' ' A' . . . . . 0.424 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.062 2 O4'-C4'-C3' 93.514 -8.562 . 0.648 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 93.247 -8.752 . 0.64 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 299' ' ' ' C' . . . . . 0.618 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.988 3 O4'-C4'-C3' 91.985 -9.654 . 0.563 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 300' ' ' ' U' . . . . . 0.634 ' C4 ' ' N4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.566 2 C1'-O4'-C4' 117.378 8.642 . 0.575 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 301' ' ' ' C' . . . . . 0.814 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.891 3 O4'-C4'-C3' 92.826 -9.053 . 0.166 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 302' ' ' ' U' . . . . . 0.814 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 117.36 8.623 . 0.016 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 303' ' ' ' G' . . . . . 0.49 " O4'" " H2'" ' B' ' 302' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.533 2 O4'-C4'-C3' 92.75 -9.107 . 0.101 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 304' ' ' ' U' . . . . . 0.459 " O4'" " H2'" ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 116.194 7.327 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 305' ' ' ' A' . . . . . 0.496 ' N1 ' ' N1 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.033 2 O4'-C4'-C3' 91.611 -9.921 . 0.019 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 306' ' ' ' U' . . . . . 0.555 " O2'" ' OP1' ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 92.458 -9.316 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear build full ' B' B ' 307' ' ' ' C' . . . . . 0.555 ' OP1' " O2'" ' B' ' 306' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 93.985 -8.225 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 308' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 92.352 -9.391 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 309' ' ' ' G' . . . . . 0.614 ' O6 ' ' HB2' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -1.985 3 O4'-C4'-C3' 91.886 -9.724 . 0.01 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 310' ' ' ' G' . . . . . 0.507 ' O6 ' ' C4 ' ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 91.418 -10.059 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.867 2 O4'-C4'-C3' 92.214 -9.49 . 0.365 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 312' ' ' ' G' . . . . . 0.57 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.742 7.935 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 313' ' ' ' G' . . . . . 0.587 ' C2 ' ' C2 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.203 2 C1'-O4'-C4' 117.491 8.768 . 0.112 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 314' ' ' ' A' . . . . . 0.669 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 116.79 7.989 . 0.694 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 315' ' ' ' C' . . . . . 0.669 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.303 -12.465 2 C1'-O4'-C4' 119.427 10.918 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear build full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 93.806 -8.353 . 0.28 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 317' ' ' ' C' . . . . . 0.443 " H2'" ' C8 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.849 2 O4'-C4'-C3' 93.773 -8.376 . 0.829 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 318' ' ' ' G' . . . . . 0.81 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 117.262 8.513 . 0.287 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.484 2.544 2 O4'-C4'-C3' 92.456 -9.317 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 320' ' ' ' G' . . . . . 0.81 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.851 3 C1'-O4'-C4' 115.025 6.028 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 321' ' ' ' G' . . . . . 0.651 ' C6 ' ' N3 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.9 3 O4'-C4'-C3' 92.383 -9.369 . 0.127 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 322' ' ' ' U' . . . . . 0.651 ' N3 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 90.528 -10.694 . 0.566 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 323' ' ' ' G' . . . . . 0.535 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 116.5 7.667 . 0.347 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 324' ' ' ' G' . . . . . 0.704 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.957 0 C3'-C2'-O2' 102.659 -3.669 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 325' ' ' ' A' . . . . . 0.704 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.214 2 C1'-O4'-C4' 117.362 8.625 . 0.056 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 326' ' ' ' A' . . . . . 0.632 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 116.475 7.639 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 116.811 8.012 . 0.594 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 328' ' ' ' U' . . . . . 0.635 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.04 2 C1'-O4'-C4' 117.173 8.415 . 0.832 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 329' ' ' ' G' . . . . . 0.635 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 O4'-C4'-C3' 92.894 -9.005 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 O4'-C4'-C3' 91.549 -9.965 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 331' ' ' ' G' . . . . . 0.546 ' OP2' ' C2 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 94.199 -8.072 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 332' ' ' ' A' . . . . . 0.51 ' N1 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 C1'-O4'-C4' 116.902 8.113 . 0.199 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 333' ' ' ' A' . . . . . 0.532 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.739 7.932 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 334' ' ' ' G' . . . . . 0.532 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.063 2 C1'-O4'-C4' 116.715 7.906 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 335' ' ' ' U' . . . . . 0.595 ' C4 ' ' O4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 117.339 8.599 . 0.647 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 336' ' ' ' U' . . . . . 0.595 ' O4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.986 3 O4'-C4'-C3' 93.448 -8.609 . 0.445 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 337' ' ' ' C' . . . . . 0.635 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.044 2 O4'-C4'-C3' 91.059 -10.315 . 0.431 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 338' ' ' ' G' . . . . . 0.813 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 O4'-C4'-C3' 90.445 -10.754 . 0.622 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 339' ' ' ' G' . . . . . 0.813 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 99.297 -11.448 OUTLIER-EPSILON 0.026 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 340' ' ' ' A' . . . . . 0.805 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.057 2 O4'-C4'-C3' 91.947 -9.681 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 341' ' ' ' A' . . . . . 0.805 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.252 8.502 . 0.257 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 3 C1'-O4'-C4' 116.826 8.029 . 0.136 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 343' ' ' ' A' . . . . . 0.538 ' C5 ' ' C4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 116.923 8.136 . 0.619 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 344' ' ' ' C' . . . . . 0.538 ' C4 ' ' C5 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 93.215 -8.775 . 0.399 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 345' ' ' ' C' . . . . . 0.625 ' C4 ' ' C5 ' ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 117.23 8.478 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 346' ' ' ' C' . . . . . 0.627 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.984 1 O4'-C4'-C3' 90.544 -10.683 . 0.417 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 347' ' ' ' G' . . . . . 0.526 ' C8 ' " H2'" ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 92.249 -9.465 . 0.261 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 348' ' ' ' G' . . . . . 0.643 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 O4'-C4'-C3' 91.927 -9.695 . 0.199 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 349' ' ' ' C' . . . . . 0.643 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 O4'-C4'-C3' 91.056 -10.317 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 350' ' ' ' C' . . . . . 0.444 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.063 3 O4'-C4'-C3' 90.945 -10.396 . 0.445 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.224 8.471 . 0.429 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 3 O4'-C4'-C3' 92.307 -9.423 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 117.241 8.49 . 0.199 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 354' ' ' ' A' . . . . . 0.489 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.056 2 C1'-O4'-C4' 117.17 8.411 . 0.575 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 355' ' ' ' C' . . . . . 0.489 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 O4'-C4'-C3' 92.915 -8.99 . 0.68 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 356' ' ' ' C' . . . . . 0.448 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.113 -8.848 . 0.055 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 357' ' ' ' C' . . . . . 0.46 ' C4 ' ' C5 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.888 2 C1'-O4'-C4' 116.241 7.379 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 358' ' ' ' U' . . . . . 0.46 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 O4'-C4'-C3' 92.914 -8.99 . 0.328 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 359' ' ' ' G' . . . . . 0.503 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 O4'-C4'-C3' 93.877 -8.302 . 0.128 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 360' ' ' ' G' . . . . . 0.503 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 117.081 8.312 . 0.149 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 361' ' ' ' G' . . . . . 0.46 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.855 2 C1'-O4'-C4' 117.089 8.321 . 0.323 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 362' ' ' ' A' . . . . . 0.474 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 117.175 8.416 . 0.49 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 363' ' ' ' G' . . . . . 0.474 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 117.19 8.433 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 93.4 -8.643 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 0 C3'-C2'-O2' 102.7 -3.655 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 0 C3'-C2'-O2' 102.71 -3.652 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 117.209 8.455 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 368' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 O4'-C4'-C3' 92.378 -9.373 . 0.165 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 369' ' ' ' C' . . . . . 0.414 " H2'" " O4'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 93.547 -8.538 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 370' ' ' ' C' . . . . . 0.414 " O4'" " H2'" ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 O4'-C4'-C3' 92.918 -8.987 . 0.016 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 C1'-O4'-C4' 116.779 7.977 . 0.166 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 O4'-C4'-C3' 93.891 -8.292 . 0.664 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 373' ' ' ' G' . . . . . 0.494 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 117.182 8.425 . 0.429 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 374' ' ' ' G' . . . . . 0.494 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 O4'-C4'-C3' 93.709 -8.422 . 0.031 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 3 O4'-C4'-C3' 93.831 -8.335 . 0.426 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 376' ' ' ' U' . . . . . 0.507 ' C4 ' ' O6 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 C1'-O4'-C4' 117.139 8.377 . 0.647 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.7 p -142.65 87.61 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.461 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 4' ' ' VAL . 31.1 m -61.56 -40.86 88.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' VAL . 30.7 m 37.0 62.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 t -127.39 92.45 3.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.33 -84.13 0.37 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.08 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -168.26 141.28 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 110.359 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.52 173.91 6.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.62 100.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -150.48 165.52 32.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.29 159.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -107.89 168.8 9.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.03 167.16 39.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.77 122.13 2.57 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 64.07 117.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.98 139.14 45.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 19' ' ' SER . 5.5 ttt180 -162.52 79.62 0.5 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.482 1.114 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.735 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER 39.83 26.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 17' ' ' ARG . 26.0 t -45.79 -50.27 14.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.64 35.17 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.735 HD12 ' HB3' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -58.99 112.74 1.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.555 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 1.0 OUTLIER -95.7 150.03 20.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 0.1 OUTLIER -66.4 -5.37 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.213 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.81 29.06 4.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.416 1.072 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -119.2 -177.85 3.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 49.7 t -110.75 134.16 52.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 108.296 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.15 27.02 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.438 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 16.4 t80 -127.52 -63.54 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.697 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 24.3 p -93.18 -14.64 26.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.314 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 40.6 mmtt 75.43 26.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.697 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 2.4 mt-10 -83.57 -177.54 6.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.24 125.25 28.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.64 -45.71 1.1 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.557 1.161 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.611 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 42.8 p-80 -114.12 169.14 9.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.585 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -106.16 166.64 10.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 108.053 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.519 ' CB ' ' O6 ' ' B' ' 309' ' ' ' G' . . . -58.5 -38.82 78.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HE3' ' HB3' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -69.16 -4.95 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -131.62 24.18 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.611 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 29.4 t -71.1 132.9 86.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.02 1.08 8.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.768 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.526 ' CE ' ' O4 ' ' B' ' 306' ' ' ' U' . 0.8 OUTLIER -95.46 -18.48 20.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 41' ' ' LYS . 4.2 mttt -39.91 100.18 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' LYS . 18.4 Cg_endo -74.95 157.58 42.89 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.548 1.815 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -136.91 147.53 46.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.05 -179.1 19.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 165.42 85.95 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.904 0.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.43 51.97 0.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.33 93.28 0.1 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.41 1.068 . . . . 0.0 111.011 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 166.33 29.37 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.518 1.799 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.88 129.24 24.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 155.98 43.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -166.12 126.69 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.1 t -134.9 133.22 39.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.358 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.49 156.6 19.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.983 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.27 171.02 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.45 HD23 ' C ' ' A' ' 56' ' ' LEU . 8.8 tt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.029 2 C1'-O4'-C4' 116.704 7.893 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 92.428 -9.337 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.051 2 C1'-O4'-C4' 116.966 8.185 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 93.749 -8.394 . 0.645 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.045 2 C1'-O4'-C4' 117.192 8.435 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 281' ' ' ' U' . . . . . 0.451 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 O4'-C4'-C3' 93.31 -8.707 . 0.228 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 282' ' ' AP7 . . . . . 0.451 ' N6 ' ' O4 ' ' B' ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . 0.445 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 117.159 8.399 . 0.457 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 117.262 8.514 . 0.637 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 285' ' ' ' A' . . . . . 0.796 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 C1'-O4'-C4' 117.165 8.406 . 0.339 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 286' ' ' ' G' . . . . . 0.44 ' C6 ' ' C4 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 93.468 -8.594 . 0.906 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 287' ' ' ' U' . . . . . 0.486 ' C4 ' ' C5 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 93.411 -8.635 . 0.553 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 288' ' ' ' U' . . . . . 0.635 ' C4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.925 1 O4'-C4'-C3' 91.057 -10.317 . 0.857 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 289' ' ' ' G' . . . . . 0.635 ' C6 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 O4'-C4'-C3' 92.067 -9.595 . 0.448 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 290' ' ' ' A' . . . . . 0.423 " H2'" " C5'" ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 117.145 8.384 . 0.01 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 291' ' ' ' G' . . . . . 0.68 " H2'" ' C4 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 117.381 8.645 . 0.037 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 292' ' ' ' A' . . . . . 0.68 ' C4 ' " H2'" ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 O4'-C4'-C3' 91.312 -10.134 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 293' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 1 C1'-O4'-C4' 114.177 5.085 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . 0.442 ' C5 ' ' C4 ' ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 116.812 8.014 . 0.095 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 295' ' ' ' C' . . . . . 0.442 ' C4 ' ' C5 ' ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.921 8.135 . 0.412 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 O4'-C4'-C3' 93.556 -8.531 . 0.681 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 297' ' ' ' A' . . . . . 0.796 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.854 2 O4'-C4'-C3' 93.462 -8.598 . 0.606 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . 0.402 " H2'" " O4'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.969 3 O4'-C4'-C3' 92.832 -9.048 . 0.04 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 299' ' ' ' C' . . . . . 0.529 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.013 3 O4'-C4'-C3' 92.206 -9.495 . 0.568 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 300' ' ' ' U' . . . . . 0.529 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.141 2 C1'-O4'-C4' 117.621 8.913 . 0.316 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 301' ' ' ' C' . . . . . 0.822 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.934 3 O4'-C4'-C3' 92.253 -9.462 . 0.139 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 302' ' ' ' U' . . . . . 0.822 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.027 8.252 . 0.068 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 303' ' ' ' G' . . . . . 0.501 ' C5 ' ' C5 ' ' B' ' 304' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.207 2 O4'-C4'-C3' 92.158 -9.53 . 0.179 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 304' ' ' ' U' . . . . . 0.501 ' C5 ' ' C5 ' ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.932 1 C1'-O4'-C4' 115.81 6.9 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 305' ' ' ' A' . . . . . 0.406 " O4'" " O3'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 92.504 -9.283 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 306' ' ' ' U' . . . . . 0.526 ' O4 ' ' CE ' ' A' ' 41' ' ' LYS . . . . . . . . 0 C3'--C2' 1.503 -1.956 1 O4'-C4'-C3' 91.833 -9.762 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 307' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 3 C1'-O4'-C4' 117.122 8.357 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 308' ' ' ' U' . . . . . 0.489 ' O4 ' ' CE ' ' A' ' 30' ' ' LYS . . . . . . . . 0 C3'--C2' 1.504 -1.916 3 O4'-C4'-C3' 90.967 -10.381 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 309' ' ' ' G' . . . . . 0.555 ' N2 ' ' O ' ' A' ' 22' ' ' ASP . . . . . . . . 0 C3'--C2' 1.504 -1.913 1 O4'-C4'-C3' 90.121 -10.985 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 310' ' ' ' G' . . . . . 0.493 " C5'" " H3'" ' B' ' 309' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 92.18 -9.514 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 311' ' ' ' C' . . . . . 0.434 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 92.796 -9.075 . 0.193 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 312' ' ' ' G' . . . . . 0.498 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 116.304 7.449 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 313' ' ' ' G' . . . . . 0.533 " H2'" ' C8 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.171 8.412 . 0.223 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 314' ' ' ' A' . . . . . 0.533 ' C8 ' " H2'" ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.815 2 C1'-O4'-C4' 116.945 8.161 . 0.715 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 315' ' ' ' C' . . . . . 0.522 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.293 -13.356 2 C1'-O4'-C4' 119.606 11.117 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear build full ' B' B ' 316' ' ' ' C' . . . . . 0.506 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 116.443 7.604 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 317' ' ' ' C' . . . . . 0.506 ' C6 ' " H2'" ' B' ' 316' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 117.286 8.54 . 0.543 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 318' ' ' ' G' . . . . . 0.765 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 117.219 8.466 . 0.307 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.494 3.41 2 O4'-C4'-C3' 92.23 -9.479 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 320' ' ' ' G' . . . . . 0.765 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.98 3 C1'-O4'-C4' 114.961 5.956 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 321' ' ' ' G' . . . . . 0.635 ' C5 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.964 3 O4'-C4'-C3' 92.31 -9.422 . 0.062 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 322' ' ' ' U' . . . . . 0.565 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.881 3 O4'-C4'-C3' 91.003 -10.355 . 0.663 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 323' ' ' ' G' . . . . . 0.453 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.823 8.026 . 0.308 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 324' ' ' ' G' . . . . . 0.664 ' N1 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.879 0 C3'-C2'-O2' 102.704 -3.654 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 325' ' ' ' A' . . . . . 0.664 ' C6 ' ' N1 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.777 2 C1'-O4'-C4' 117.405 8.672 . 0.031 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 326' ' ' ' A' . . . . . 0.59 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 116.495 7.661 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.741 7.934 . 0.623 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 328' ' ' ' U' . . . . . 0.614 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.193 8.437 . 0.857 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 329' ' ' ' G' . . . . . 0.614 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.954 1 O4'-C4'-C3' 90.115 -10.989 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 1 O4'-C4'-C3' 90.915 -10.418 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 331' ' ' ' G' . . . . . 0.558 ' C2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.06 3 O4'-C4'-C3' 93.522 -8.556 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 332' ' ' ' A' . . . . . 0.558 ' C2 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 94.196 -8.074 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 333' ' ' ' A' . . . . . 0.538 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 C1'-O4'-C4' 116.694 7.883 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 334' ' ' ' G' . . . . . 0.538 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 116.821 8.023 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 335' ' ' ' U' . . . . . 0.641 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.048 2 C1'-O4'-C4' 117.197 8.441 . 0.688 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 336' ' ' ' U' . . . . . 0.675 ' C4 ' ' C4 ' ' B' ' 337' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 C1'-O4'-C4' 116.984 8.205 . 0.487 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 337' ' ' ' C' . . . . . 0.675 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.984 3 O4'-C4'-C3' 92.113 -9.562 . 0.344 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 338' ' ' ' G' . . . . . 0.75 ' C5 ' ' N7 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.988 1 O4'-C4'-C3' 89.487 -11.438 . 0.192 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 339' ' ' ' G' . . . . . 0.75 ' N7 ' ' C5 ' ' B' ' 338' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.187 -22.165 2 C5'-C4'-O4' 135.266 18.618 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear build full ' B' B ' 340' ' ' ' A' . . . . . 0.823 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.973 3 O4'-C4'-C3' 91.522 -9.984 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 341' ' ' ' A' . . . . . 0.823 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.273 2 C1'-O4'-C4' 117.385 8.65 . 0.649 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 116.649 7.832 . 0.29 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 343' ' ' ' A' . . . . . 0.549 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 117.118 8.353 . 0.766 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 344' ' ' ' C' . . . . . 0.549 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 O4'-C4'-C3' 93.511 -8.564 . 0.601 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 345' ' ' ' C' . . . . . 0.595 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 O4'-C4'-C3' 94.058 -8.173 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 346' ' ' ' C' . . . . . 0.722 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 90.536 -10.689 . 0.065 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 347' ' ' ' G' . . . . . 0.644 ' C6 ' ' C6 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 93.087 -8.866 . 0.266 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 348' ' ' ' G' . . . . . 0.657 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 92.782 -9.084 . 0.062 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 349' ' ' ' C' . . . . . 0.657 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 O4'-C4'-C3' 91.287 -10.152 . 0.022 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 350' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.899 3 O4'-C4'-C3' 91.603 -9.927 . 0.177 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 117.272 8.524 . 0.371 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 O4'-C4'-C3' 92.445 -9.325 . 0.278 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 353' ' ' ' A' . . . . . 0.461 " H2'" " O4'" ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.239 8.488 . 0.223 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 354' ' ' ' A' . . . . . 0.498 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.851 2 O4'-C4'-C3' 93.684 -8.44 . 0.642 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 355' ' ' ' C' . . . . . 0.498 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 O4'-C4'-C3' 93.35 -8.679 . 0.674 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 356' ' ' ' C' . . . . . 0.5 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.844 2 O4'-C4'-C3' 92.114 -9.561 . 0.056 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 357' ' ' ' C' . . . . . 0.5 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.825 2 C1'-O4'-C4' 116.176 7.307 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 358' ' ' ' U' . . . . . 0.421 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 94.095 -8.146 . 0.346 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 359' ' ' ' G' . . . . . 0.512 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 93.328 -8.695 . 0.307 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 360' ' ' ' G' . . . . . 0.512 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 117.045 8.272 . 0.077 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 361' ' ' ' G' . . . . . 0.482 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 93.953 -8.248 . 0.316 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 362' ' ' ' A' . . . . . 0.482 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 116.915 8.128 . 0.457 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 363' ' ' ' G' . . . . . 0.741 ' H8 ' " H4'" ' B' ' 363' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.351 -8.467 1 C5'-C4'-O4' 124.483 10.916 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear build full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 1 C1'-O4'-C4' 105.222 -4.864 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 1 C1'-O4'-C4' 104.855 -5.272 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 117.103 8.336 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.67 7.855 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 368' ' ' ' C' . . . . . 0.45 ' C4 ' ' N4 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 92.96 -8.957 . 0.312 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 369' ' ' ' C' . . . . . 0.45 ' N4 ' ' C4 ' ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.877 2 C1'-O4'-C4' 117.054 8.282 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 370' ' ' ' C' . . . . . 0.411 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 93.085 -8.868 . 0.047 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 371' ' ' ' A' . . . . . 0.411 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.066 2 C1'-O4'-C4' 116.896 8.107 . 0.413 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.942 8.158 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 373' ' ' ' G' . . . . . 0.455 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 116.877 8.085 . 0.475 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 374' ' ' ' G' . . . . . 0.455 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 O4'-C4'-C3' 93.892 -8.291 . 0.384 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 375' ' ' ' U' . . . . . 0.451 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.882 3 O4'-C4'-C3' 93.801 -8.357 . 0.598 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 92.361 -9.385 . 0.304 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.53 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 1' ' ' ALA . 23.9 p -157.85 135.57 10.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.0 p -175.91 137.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.24 -46.2 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -169.65 153.3 4.96 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 110.044 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.7 -156.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 177.69 152.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.762 . . . . 0.0 110.354 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -102.52 140.31 36.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.396 1.06 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 10' ' ' ASP . 14.8 pt20 -155.27 131.34 10.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 9' ' ' GLN . 35.8 m-20 60.79 145.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 134.1 54.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -55.54 141.28 37.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.12 -107.4 1.19 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.08 160.65 21.64 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.09 160.73 39.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.5 mtt85 -58.34 119.95 7.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.24 149.71 14.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.677 ' O ' ' C ' ' A' ' 19' ' ' SER . 4.2 mtt85 -67.54 78.15 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.248 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.677 ' C ' ' O ' ' A' ' 18' ' ' ARG . 41.6 t 2.23 -79.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.534 ' N ' ' O ' ' A' ' 18' ' ' ARG . 9.5 mt-30 -154.61 46.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.644 ' HB2' ' HB3' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -42.03 100.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.244 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.461 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.2 OUTLIER -77.58 151.51 34.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.465 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 0.0 OUTLIER -64.28 -10.12 21.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.9 31.24 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -121.2 132.32 54.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 41.7 t -64.34 131.98 48.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.44 1.087 . . . . 0.0 108.33 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.22 33.21 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.593 ' O ' ' C2 ' ' B' ' 306' ' ' ' U' . 5.1 t80 -131.81 -53.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.601 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.5 p -109.13 -13.21 14.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.94 23.97 0.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.601 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 26.2 mt-10 -86.43 124.42 32.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -77.42 115.07 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.17 -61.26 0.42 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.59 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 45.3 p-80 -104.94 169.87 8.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 109.63 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.426 ' CZ3' ' C4 ' ' B' ' 309' ' ' ' G' . 5.1 m95 -103.99 166.33 10.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.054 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.668 ' HB1' " H1'" ' B' ' 307' ' ' ' C' . . . -59.52 -36.76 76.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.26 -7.28 35.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.55 21.85 5.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.59 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 23.5 t -70.84 132.49 86.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.323 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.411 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.5 Cg_endo -74.99 0.93 8.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.401 1.737 . . . . 0.0 111.068 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HE2' ' C4 ' ' B' ' 306' ' ' ' U' . 1.8 mtpp -95.11 -20.68 19.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.404 ' NZ ' ' N3 ' ' B' ' 307' ' ' ' C' . 0.0 OUTLIER -42.23 102.88 0.28 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.213 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -72.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.539 1.81 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -178.18 100.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.75 -174.32 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.567 1.167 . . . . 0.0 110.974 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -64.48 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.992 -0.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.42 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER 71.56 157.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -153.3 104.96 0.27 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.442 1.089 . . . . 0.0 111.045 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 126.07 9.76 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -130.28 104.61 16.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 114.43 4.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.035 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -58.67 154.4 14.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.1 m -134.91 142.37 46.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t 56.98 95.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.06 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -105.42 174.16 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.358 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . 0.651 ' C5 ' ' N7 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.491 3.187 3 O4'-C4'-C3' 90.193 -10.934 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 277' ' ' ' G' . . . . . 0.651 ' N7 ' ' C5 ' ' B' ' 276' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 O4'-C4'-C3' 91.677 -9.873 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 O4'-C4'-C3' 93.726 -8.41 . 0.146 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 O4'-C4'-C3' 92.159 -9.529 . 0.556 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.15 8.389 . 0.052 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 281' ' ' ' U' . . . . . 0.449 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 O4'-C4'-C3' 93.21 -8.779 . 0.288 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 282' ' ' AP7 . . . . . 0.478 ' C2 ' ' O2 ' ' B' ' 300' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . 0.428 " O4'" " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.869 2 C1'-O4'-C4' 117.219 8.465 . 0.424 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . 0.429 ' C2 ' ' N2 ' ' B' ' 298' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.842 2 C1'-O4'-C4' 117.285 8.539 . 0.346 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 285' ' ' ' A' . . . . . 0.781 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 117.026 8.251 . 0.142 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 286' ' ' ' G' . . . . . 0.599 ' C6 ' ' C4 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.038 2 O4'-C4'-C3' 92.838 -9.045 . 0.717 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 287' ' ' ' U' . . . . . 0.599 ' C4 ' ' C6 ' ' B' ' 286' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 O4'-C4'-C3' 92.453 -9.319 . 0.758 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 288' ' ' ' U' . . . . . 0.533 ' C4 ' ' C4 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 91.982 -9.656 . 0.822 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 289' ' ' ' G' . . . . . 0.514 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 91.787 -9.795 . 0.519 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 290' ' ' ' A' . . . . . 0.601 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.823 2 C1'-O4'-C4' 116.142 7.269 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 291' ' ' ' G' . . . . . 0.646 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 C1'-O4'-C4' 117.308 8.565 . 0.027 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 292' ' ' ' A' . . . . . 0.646 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 O4'-C4'-C3' 92.671 -9.164 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 293' ' ' ' A' . . . . . 0.547 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 117.265 8.516 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . 0.564 ' C6 ' ' C4 ' ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 94.103 -8.141 . 0.274 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 295' ' ' ' C' . . . . . 0.564 ' C4 ' ' C6 ' ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.012 2 O4'-C4'-C3' 92.939 -8.972 . 0.381 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 296' ' ' ' U' . . . . . 0.422 " H2'" " O4'" ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 C1'-O4'-C4' 117.026 8.251 . 0.688 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 297' ' ' ' A' . . . . . 0.781 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 93.217 -8.774 . 0.513 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . 0.429 ' N2 ' ' C2 ' ' B' ' 284' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.927 3 O4'-C4'-C3' 92.667 -9.166 . 0.307 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 299' ' ' ' C' . . . . . 0.655 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.953 3 O4'-C4'-C3' 92.067 -9.595 . 0.259 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 300' ' ' ' U' . . . . . 0.655 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.677 2 C1'-O4'-C4' 117.396 8.662 . 0.342 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 301' ' ' ' C' . . . . . 0.782 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.922 3 O4'-C4'-C3' 92.469 -9.308 . 0.212 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 302' ' ' ' U' . . . . . 0.782 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 O4'-C4'-C3' 93.856 -8.317 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 303' ' ' ' G' . . . . . 0.581 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 O4'-C4'-C3' 91.471 -10.021 . 0.371 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 304' ' ' ' U' . . . . . 0.401 " H2'" ' N9 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.962 3 O4'-C4'-C3' 91.076 -10.303 . 0.409 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 305' ' ' ' A' . . . . . 0.401 ' N9 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 117.157 8.397 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 306' ' ' ' U' . . . . . 0.593 ' C2 ' ' O ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 91.9 -9.714 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 307' ' ' ' C' . . . . . 0.668 " H1'" ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 116.865 8.072 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 308' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.369 -9.379 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 309' ' ' ' G' . . . . . 0.465 " O2'" ' NH1' ' A' ' 23' ' ' ARG . . . . . . . . 0 C3'--C2' 1.503 -1.998 3 O4'-C4'-C3' 91.554 -9.962 . 0.01 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 310' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 O4'-C4'-C3' 92.443 -9.326 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.63 -9.193 . 0.281 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 312' ' ' ' G' . . . . . 0.574 ' N1 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.268 7.409 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 313' ' ' ' G' . . . . . 0.574 ' C5 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 116.957 8.174 . 0.22 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 314' ' ' ' A' . . . . . 0.642 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.754 7.949 . 0.606 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 315' ' ' ' C' . . . . . 0.642 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.299 -12.826 2 C1'-O4'-C4' 119.552 11.058 . 0.023 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 316' ' ' ' C' . . . . . 0.419 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 C1'-O4'-C4' 116.035 7.15 . 0.104 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 317' ' ' ' C' . . . . . 0.643 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.057 2 C1'-O4'-C4' 117.157 8.397 . 0.416 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 318' ' ' ' G' . . . . . 0.797 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 117.325 8.583 . 0.415 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.494 3.429 2 O4'-C4'-C3' 92.516 -9.274 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 320' ' ' ' G' . . . . . 0.797 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.999 3 C1'-O4'-C4' 115.025 6.028 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 321' ' ' ' G' . . . . . 0.596 ' C2 ' ' O2 ' ' B' ' 345' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.975 3 O4'-C4'-C3' 92.403 -9.355 . 0.069 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 322' ' ' ' U' . . . . . 0.586 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 92.239 -9.472 . 0.282 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 323' ' ' ' G' . . . . . 0.467 " H3'" H5'' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.478 2.067 3 O4'-C4'-C3' 92.837 -9.045 . 0.089 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 324' ' ' ' G' . . . . . 0.725 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.78 1 C1'-O4'-C4' 114.94 5.934 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 325' ' ' ' A' . . . . . 0.725 ' C6 ' ' C6 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.61 2 C1'-O4'-C4' 116.993 8.214 . 0.391 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 326' ' ' ' A' . . . . . 0.659 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.995 2 C1'-O4'-C4' 116.604 7.782 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 116.845 8.05 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 328' ' ' ' U' . . . . . 0.528 ' N3 ' ' C5 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.433 2 C1'-O4'-C4' 117.518 8.798 . 0.772 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 329' ' ' ' G' . . . . . 0.538 ' N1 ' ' N6 ' ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 O4'-C4'-C3' 90.211 -10.921 . 0.537 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 2 C1'-O4'-C4' 117.501 8.779 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 331' ' ' ' G' . . . . . 0.664 ' N1 ' ' C6 ' ' B' ' 332' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.38 -6.06 2 C1'-O4'-C4' 118.178 9.532 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear build full ' B' B ' 332' ' ' ' A' . . . . . 0.664 ' C6 ' ' N1 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C5'-C4'-O4' 101.732 -5.334 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear build full ' B' B ' 333' ' ' ' A' . . . . . 0.606 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 C1'-O4'-C4' 116.948 8.165 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 334' ' ' ' G' . . . . . 0.606 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 C1'-O4'-C4' 116.516 7.684 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 335' ' ' ' U' . . . . . 0.636 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 C1'-O4'-C4' 117.363 8.626 . 0.38 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 336' ' ' ' U' . . . . . 0.636 ' C4 ' ' N3 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 117.176 8.418 . 0.557 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 337' ' ' ' C' . . . . . 0.676 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 117.305 8.561 . 0.163 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 338' ' ' ' G' . . . . . 0.688 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 O4'-C4'-C3' 90.373 -10.805 . 0.232 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 339' ' ' ' G' . . . . . 0.688 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.859 2 C1'-O4'-C4' 100.574 -10.029 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear build full ' B' B ' 340' ' ' ' A' . . . . . 0.552 ' N7 ' ' N3 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.477 2.038 3 O4'-C4'-C3' 92.539 -9.258 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 341' ' ' ' A' . . . . . 0.534 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -2.034 2 C1'-O4'-C4' 117.367 8.63 . 0.157 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 116.81 8.012 . 0.221 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 343' ' ' ' A' . . . . . 0.548 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 117.184 8.427 . 0.649 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 344' ' ' ' C' . . . . . 0.548 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.011 3 O4'-C4'-C3' 93.135 -8.832 . 0.428 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 345' ' ' ' C' . . . . . 0.596 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 94.023 -8.198 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 346' ' ' ' C' . . . . . 0.739 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 O4'-C4'-C3' 92.334 -9.405 . 0.068 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 347' ' ' ' G' . . . . . 0.493 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 O4'-C4'-C3' 93.706 -8.424 . 0.508 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 348' ' ' ' G' . . . . . 0.643 ' N2 ' ' C2 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 O4'-C4'-C3' 91.945 -9.682 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 349' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 90.737 -10.545 . 0.056 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 350' ' ' ' C' . . . . . 0.418 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 91.682 -9.87 . 0.585 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.87 2 C1'-O4'-C4' 117.251 8.501 . 0.399 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.023 2 O4'-C4'-C3' 92.402 -9.356 . 0.613 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 353' ' ' ' A' . . . . . 0.432 " H2'" ' C8 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 O4'-C4'-C3' 94.009 -8.208 . 0.216 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 354' ' ' ' A' . . . . . 0.495 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.965 3 O4'-C4'-C3' 93.839 -8.329 . 0.646 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 355' ' ' ' C' . . . . . 0.495 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 O4'-C4'-C3' 92.589 -9.222 . 0.57 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 356' ' ' ' C' . . . . . 0.453 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 O4'-C4'-C3' 93.969 -8.237 . 0.317 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 357' ' ' ' C' . . . . . 0.453 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 116.2 7.333 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 358' ' ' ' U' . . . . . 0.441 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 O4'-C4'-C3' 93.138 -8.83 . 0.37 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 359' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 117.3 8.556 . 0.283 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 360' ' ' ' G' . . . . . 0.415 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 116.89 8.1 . 0.531 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 361' ' ' ' G' . . . . . 0.468 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.898 8.109 . 0.269 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 362' ' ' ' A' . . . . . 0.477 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 117.242 8.492 . 0.478 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 363' ' ' ' G' . . . . . 0.477 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.865 2 C1'-O4'-C4' 117.191 8.435 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 1 C1'-O4'-C4' 104.72 -5.422 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 1 C1'-O4'-C4' 105.367 -4.703 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 1 C1'-O4'-C4' 105.1 -5.0 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.584 7.76 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 368' ' ' ' C' . . . . . 0.462 ' C4 ' ' N4 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 94.001 -8.214 . 0.503 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 369' ' ' ' C' . . . . . 0.462 ' N4 ' ' C4 ' ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 117.107 8.341 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 370' ' ' ' C' . . . . . 0.489 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 93.325 -8.696 . 0.029 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 371' ' ' ' A' . . . . . 0.489 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.787 7.986 . 0.25 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 117.162 8.402 . 0.777 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 373' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 117.149 8.388 . 0.24 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 374' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 3 O4'-C4'-C3' 93.855 -8.318 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 91.844 -9.754 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 O4'-C4'-C3' 92.839 -9.044 . 0.455 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.1 p -129.36 -162.63 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.5 m -120.83 -39.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 69.0 t 61.87 116.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -105.11 152.43 22.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.039 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.69 -178.21 48.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -129.37 163.48 25.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 110.285 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.87 -173.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -134.78 162.87 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.29 169.38 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -126.24 -60.04 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -179.09 166.46 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.331 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.62 -142.2 5.47 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.578 1.174 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 154.72 165.57 14.15 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -159.41 -57.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 0.776 . . . . 0.0 110.21 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -58.4 -170.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 19' ' ' SER . 1.0 OUTLIER -44.23 168.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 1.081 ' O ' ' N ' ' A' ' 20' ' ' GLN . 11.7 mtt85 -69.4 58.59 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.518 ' O ' ' CG ' ' A' ' 20' ' ' GLN . 30.3 t 36.45 -61.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 1.081 ' N ' ' O ' ' A' ' 18' ' ' ARG . 2.2 mt-30 -179.56 53.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.734 HD11 ' HB2' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -53.24 94.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 6.1 t0 -77.62 157.4 30.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.436 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 2.5 mmm180 -65.62 -5.91 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -126.93 26.93 6.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -114.17 -175.94 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.8 t -113.91 137.93 51.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 108.316 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.734 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -99.12 26.4 5.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.619 ' CE1' ' HG3' ' A' ' 41' ' ' LYS . 2.2 t80 -127.54 -57.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 25.8 p -102.07 -24.17 13.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 3.3 mmtt 88.63 20.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.493 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 30.6 mt-10 -79.81 167.33 20.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.38 128.21 53.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.32 -45.7 1.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.654 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 19.2 p-80 -111.85 156.39 22.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 0.75 . . . . 0.0 109.547 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -93.77 167.23 11.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 108.005 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.736 ' HB2' ' O6 ' ' B' ' 309' ' ' ' G' . . . -56.69 -45.43 81.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.442 ' HE2' " H4'" ' B' ' 376' ' ' ' U' . 0.0 OUTLIER -69.56 -4.55 19.57 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.65 5.17 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.654 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 15.5 t -60.41 134.66 91.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.293 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.07 0.84 8.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.558 1.82 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.619 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -125.55 25.28 7.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.357 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.94 115.57 62.3 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 167.78 26.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' NE ' " O2'" ' B' ' 356' ' ' ' C' . 0.0 OUTLIER -114.47 99.43 7.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.86 174.61 46.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -171.08 8.88 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.021 -0.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -118.27 61.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.25 134.02 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.127 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 165.83 30.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.6 147.62 33.96 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 164.07 33.99 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.575 1.829 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -137.48 169.36 17.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -147.44 147.29 30.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.29 170.4 21.38 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.418 1.074 . . . . 0.0 110.032 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.1 tp -148.24 163.49 36.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.854 2 O4'-C4'-C3' 93.305 -8.711 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 277' ' ' ' G' . . . . . 0.582 ' N1 ' ' C2 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 91.938 -9.687 . 0.665 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 C1'-O4'-C4' 117.058 8.287 . 0.728 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.761 7.957 . 0.575 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 280' ' ' ' G' . . . . . 0.579 ' C2 ' ' O2 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.883 2 C1'-O4'-C4' 116.984 8.204 . 0.181 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 281' ' ' ' U' . . . . . 0.457 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 O4'--C4' 1.43 -1.928 2 O4'-C4'-C3' 92.778 -9.087 . 0.307 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 282' ' ' AP7 . . . . . 0.457 ' N6 ' ' O4 ' ' B' ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . 0.443 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 C1'-O4'-C4' 117.245 8.495 . 0.174 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 117.255 8.506 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 285' ' ' ' A' . . . . . 0.803 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 117.247 8.497 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 O4'-C4'-C3' 92.887 -9.01 . 0.438 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 287' ' ' ' U' . . . . . 0.479 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.035 2 O4'-C4'-C3' 92.183 -9.512 . 0.707 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 288' ' ' ' U' . . . . . 0.59 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.351 -9.392 . 0.517 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 289' ' ' ' G' . . . . . 0.59 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 O4'-C4'-C3' 93.919 -8.272 . 0.423 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 290' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 115.824 6.915 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 291' ' ' ' G' . . . . . 0.796 ' C5 ' ' C6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.807 8.008 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 292' ' ' ' A' . . . . . 0.796 ' C6 ' ' C5 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 117.081 8.312 . 0.302 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 293' ' ' ' A' . . . . . 0.423 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 117.128 8.365 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . 0.447 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 117.221 8.467 . 0.739 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 295' ' ' ' C' . . . . . 0.447 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 94.004 -8.212 . 0.28 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 296' ' ' ' U' . . . . . 0.422 " H2'" ' C8 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 91.708 -9.851 . 0.423 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 297' ' ' ' A' . . . . . 0.803 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 O4'-C4'-C3' 92.949 -8.965 . 0.648 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . 0.519 ' C6 ' ' N6 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.88 3 O4'-C4'-C3' 91.961 -9.671 . 0.38 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 299' ' ' ' C' . . . . . 0.622 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.966 3 O4'-C4'-C3' 92.188 -9.508 . 0.441 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 300' ' ' ' U' . . . . . 0.622 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.977 2 C1'-O4'-C4' 117.517 8.797 . 0.592 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 301' ' ' ' C' . . . . . 0.81 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.952 3 O4'-C4'-C3' 92.821 -9.056 . 0.104 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 302' ' ' ' U' . . . . . 0.81 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 117.338 8.597 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 303' ' ' ' G' . . . . . 0.461 " O4'" " H2'" ' B' ' 302' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.389 2 O4'-C4'-C3' 93.932 -8.263 . 0.398 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 304' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 1 C1'-O4'-C4' 115.491 6.545 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 305' ' ' ' A' . . . . . 0.582 ' C2 ' ' N1 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.949 3 C1'-O4'-C4' 116.846 8.052 . 0.203 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 306' ' ' ' U' . . . . . 0.562 " H2'" ' CD1' ' A' ' 28' ' ' TYR . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 92.024 -9.626 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 307' ' ' ' C' . . . . . 0.478 " H4'" ' O ' ' A' ' 27' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.744 7.937 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 308' ' ' ' U' . . . . . 0.424 H5'' ' C2 ' ' B' ' 308' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.931 0 C3'-C2'-O2' 102.768 -3.632 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 309' ' ' ' G' . . . . . 0.736 ' O6 ' ' HB2' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.827 8.03 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 310' ' ' ' G' . . . . . 0.511 ' C8 ' " H3'" ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 91.634 -9.904 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 O4'-C4'-C3' 92.626 -9.196 . 0.311 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 312' ' ' ' G' . . . . . 0.596 ' N1 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 116.179 7.31 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 313' ' ' ' G' . . . . . 0.596 ' C5 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.937 8.152 . 0.191 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 314' ' ' ' A' . . . . . 0.648 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.888 2 C1'-O4'-C4' 116.641 7.823 . 0.554 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 315' ' ' ' C' . . . . . 0.648 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.296 -13.121 2 C1'-O4'-C4' 119.603 11.115 . 0.01 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 1 C1'-O4'-C4' 115.691 6.768 . 0.096 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 317' ' ' ' C' . . . . . 0.644 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.855 2 C1'-O4'-C4' 117.032 8.257 . 0.413 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 318' ' ' ' G' . . . . . 0.795 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 C1'-O4'-C4' 117.331 8.59 . 0.623 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.493 3.339 2 O4'-C4'-C3' 92.211 -9.492 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 320' ' ' ' G' . . . . . 0.795 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.992 3 C1'-O4'-C4' 114.955 5.95 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 321' ' ' ' G' . . . . . 0.672 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.992 3 O4'-C4'-C3' 92.344 -9.397 . 0.034 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 322' ' ' ' U' . . . . . 0.672 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.889 3 O4'-C4'-C3' 91.011 -10.35 . 0.287 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 323' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.012 2 O4'-C4'-C3' 93.543 -8.541 . 0.409 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 324' ' ' ' G' . . . . . 0.674 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.998 0 C3'-C2'-O2' 102.688 -3.659 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 325' ' ' ' A' . . . . . 0.674 ' C6 ' ' C6 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.59 2 C1'-O4'-C4' 116.974 8.193 . 0.134 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 326' ' ' ' A' . . . . . 0.589 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.852 2 C1'-O4'-C4' 116.712 7.902 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 327' ' ' ' C' . . . . . 0.41 ' C4 ' ' C6 ' ' B' ' 326' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.808 8.009 . 0.559 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 328' ' ' ' U' . . . . . 0.464 ' C4 ' ' N7 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 116.816 8.018 . 0.695 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 329' ' ' ' G' . . . . . 0.553 ' C6 ' ' N6 ' ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.036 2 O4'-C4'-C3' 91.814 -9.775 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 330' ' ' ' U' . . . . . 0.535 ' C5 ' ' C4 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.856 2 C1'-O4'-C4' 116.663 7.848 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 331' ' ' ' G' . . . . . 0.655 ' N2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.086 2 C1'-O4'-C4' 117.296 8.551 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 332' ' ' ' A' . . . . . 0.655 ' C2 ' ' N2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.066 2 C1'-O4'-C4' 116.809 8.01 . 0.176 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 333' ' ' ' A' . . . . . 0.601 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 116.411 7.568 . 0.165 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 334' ' ' ' G' . . . . . 0.601 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 116.459 7.621 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 335' ' ' ' U' . . . . . 0.659 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.313 8.57 . 0.373 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 336' ' ' ' U' . . . . . 0.659 ' C4 ' ' N3 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.861 2 C1'-O4'-C4' 117.567 8.852 . 0.53 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 337' ' ' ' C' . . . . . 0.695 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 117.059 8.288 . 0.063 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 338' ' ' ' G' . . . . . 0.695 ' N7 ' ' C4 ' ' B' ' 337' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 90.579 -10.658 . 0.333 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 339' ' ' ' G' . . . . . 0.64 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.877 2 C1'-O4'-C4' 100.403 -10.219 OUTLIER-EPSILON 0.015 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 340' ' ' ' A' . . . . . 0.569 ' N7 ' ' N3 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.482 2.39 2 O4'-C4'-C3' 92.935 -8.975 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 341' ' ' ' A' . . . . . 0.552 ' C6 ' ' N6 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.457 2 C1'-O4'-C4' 117.533 8.815 . 0.12 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.5 7.666 . 0.158 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 343' ' ' ' A' . . . . . 0.646 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 117.113 8.348 . 0.723 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 344' ' ' ' C' . . . . . 0.646 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 O4'-C4'-C3' 94.095 -8.146 . 0.647 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 345' ' ' ' C' . . . . . 0.601 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 93.4 -8.643 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 346' ' ' ' C' . . . . . 0.663 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 91.269 -10.165 . 0.709 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 347' ' ' ' G' . . . . . 0.441 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.854 3 O4'-C4'-C3' 93.623 -8.484 . 0.23 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 348' ' ' ' G' . . . . . 0.644 ' N2 ' ' C2 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 91.703 -9.855 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 349' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 3 O4'-C4'-C3' 91.102 -10.284 . 0.062 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 350' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 3 O4'-C4'-C3' 91.619 -9.915 . 0.416 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 117.09 8.322 . 0.361 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 352' ' ' ' C' . . . . . 0.451 ' N4 ' ' O4 ' ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.866 3 O4'-C4'-C3' 91.846 -9.753 . 0.528 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 117.027 8.252 . 0.213 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 354' ' ' ' A' . . . . . 0.503 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 C1'-O4'-C4' 117.177 8.418 . 0.636 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 355' ' ' ' C' . . . . . 0.503 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 92.418 -9.344 . 0.578 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 356' ' ' ' C' . . . . . 0.422 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.039 2 O4'-C4'-C3' 93.359 -8.672 . 0.268 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 357' ' ' ' C' . . . . . 0.449 ' N4 ' ' O4 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 C1'-O4'-C4' 116.112 7.236 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 358' ' ' ' U' . . . . . 0.449 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 93.286 -8.724 . 0.26 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 359' ' ' ' G' . . . . . 0.486 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 93.392 -8.648 . 0.466 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 360' ' ' ' G' . . . . . 0.486 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 93.378 -8.659 . 0.214 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 361' ' ' ' G' . . . . . 0.487 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 116.881 8.09 . 0.253 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 362' ' ' ' A' . . . . . 0.507 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.814 2 C1'-O4'-C4' 116.971 8.19 . 0.059 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 363' ' ' ' G' . . . . . 0.507 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.331 2 C1'-O4'-C4' 117.096 8.329 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 115.975 7.084 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 1 C1'-O4'-C4' 105.119 -4.978 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 0 C3'-C2'-O2' 102.704 -3.654 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 116.921 8.134 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 368' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 93.481 -8.585 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 369' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 117.07 8.3 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 92.747 -9.109 . 0.213 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.895 8.106 . 0.168 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.905 3 O4'-C4'-C3' 93.743 -8.398 . 0.61 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 373' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 117.276 8.528 . 0.588 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 374' ' ' ' G' . . . . . 0.471 ' C6 ' ' C4 ' ' B' ' 375' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.888 3 O4'-C4'-C3' 93.876 -8.303 . 0.626 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 375' ' ' ' U' . . . . . 0.471 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.881 3 O4'-C4'-C3' 92.038 -9.616 . 0.399 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 376' ' ' ' U' . . . . . 0.511 " H3'" ' C8 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.909 3 O4'-C4'-C3' 92.57 -9.236 . 0.68 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.4 129.07 56.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.49 149.59 34.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.74 95.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.33 171.52 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.51 89.65 1.05 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.07 65.14 0.51 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 110.276 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.492 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -3.9 9.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -134.38 29.18 3.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.492 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -120.6 168.27 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 53.7 t -103.72 132.59 49.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 108.329 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.77 31.7 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.452 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 15.9 t80 -132.59 -58.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 27.2 p -102.23 -11.39 18.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 73.62 23.55 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.563 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 51.7 mt-10 -89.02 141.0 28.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.19 127.01 40.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.89 -47.79 0.85 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.599 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 51.2 p-80 -115.58 176.56 5.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.787 . . . . 0.0 109.614 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -108.88 165.38 11.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 107.964 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.7 -39.68 81.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm -71.06 -2.72 16.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -130.2 20.07 5.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.599 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 21.7 t -67.7 132.61 92.58 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 108.285 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD3' ' NE2' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.0 1.01 8.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.506 1.792 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.37 147.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.418 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . -60.15 170.94 6.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.418 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -74.96 -174.36 13.95 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.013 0.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.94 162.94 27.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.3 -105.57 0.34 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 175.22 11.54 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.26 129.2 12.13 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.88 23.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -178.97 128.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.2 p -126.75 169.32 13.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.46 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -142.49 157.65 44.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.3 161.46 40.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.43 -52.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.354 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 62.66 164.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.41 -135.86 8.36 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.439 1.087 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.8 175.49 43.91 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 110.26 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -10.57 29.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -126.27 29.57 5.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.234 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 22.8 mt-30 -119.46 177.88 4.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 47.8 t -99.2 132.74 44.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 108.286 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.25 21.79 5.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 11.7 t80 -123.26 -60.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 26.5 p -100.81 -23.78 14.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.656 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER 100.78 -25.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.673 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -39.12 139.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 48.0 tttt -95.66 134.32 38.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.362 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.49 -50.54 0.89 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.433 1.083 . . . . 0.0 110.973 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.501 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 20.0 p-80 -112.43 155.89 23.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 109.629 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -95.17 167.15 11.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 108.021 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.403 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -59.29 -35.71 74.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -8.4 33.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.56 27.54 4.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.501 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 25.5 t -77.41 133.07 68.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.292 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.4 Cg_endo -75.08 1.17 8.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.435 1.755 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.362 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -148.56 129.38 14.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -121.0 177.99 16.38 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.9 -50.38 0.19 OUTLIER 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.042 -2.483 . . . . 0.0 111.055 -0.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 43.61 85.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.379 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.42 82.07 0.22 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 175.45 11.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.544 1.813 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.48 132.32 0.34 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 168.55 24.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.568 1.825 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -158.61 162.6 37.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.6 t -143.37 158.43 43.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 110.441 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.399 1.062 . . . . 0.0 110.029 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -109.93 155.85 21.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -60.46 131.52 51.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.95 171.71 13.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -134.2 80.7 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.259 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.86 147.56 16.28 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.44 1.087 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.89 -124.96 3.07 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -6.69 19.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.53 25.44 4.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 38.8 tt0 -116.86 133.8 55.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 49.3 t -60.31 131.09 49.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 108.288 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.19 25.43 6.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.591 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 9.8 t80 -122.82 -64.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 27.9 p -94.58 -9.89 33.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.295 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 74.82 23.03 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.606 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 50.7 mt-10 -90.23 115.45 27.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.77 127.85 33.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.269 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 138.82 -55.38 0.67 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.432 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 23.4 p-80 -108.9 160.4 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.67 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -92.11 158.76 16.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.009 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 39' ' ' CYS . . . -59.8 -33.59 71.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -66.78 -10.3 46.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -129.64 25.79 5.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.371 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.472 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 35.9 t -71.88 134.15 83.73 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 108.229 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.0 Cg_endo -75.07 2.27 6.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.591 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 1.4 ttmt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.14 89.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.504 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . -131.55 157.69 22.45 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.504 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.05 -33.66 3.91 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.953 -2.52 . . . . 0.0 111.04 0.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -171.67 122.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.579 1.174 . . . . 0.0 110.358 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -117.28 94.72 0.63 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 147.76 34.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.54 1.81 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.84 114.71 58.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -179.99 5.54 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.479 1.779 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -163.93 160.6 22.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 110.341 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 53' ' ' THR . 9.8 t -155.67 58.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.443 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 73.51 96.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 31.0 t70 -177.68 136.39 0.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.446 ' CG ' ' O ' ' A' ' 10' ' ' ASP . 18.3 mtt180 -164.77 159.46 18.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.185 . . . . 0.0 110.301 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -163.86 142.54 7.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.33 -160.76 21.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.85 112.27 3.48 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.29 -179.919 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -12.21 18.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.73 29.78 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -116.43 176.93 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 39.1 t -104.96 132.99 50.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 108.263 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.26 20.53 5.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.384 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.629 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 2.6 t80 -124.58 -62.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.064 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.619 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 30.7 p -100.17 -20.36 16.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.332 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.619 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 1.2 mmtt 97.4 -27.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 0.0 109.239 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.527 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 47.0 mt-10 -34.46 150.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.01 138.49 44.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.77 -45.58 1.17 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.412 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 13.5 p-80 -114.02 161.47 17.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 0.744 . . . . 0.0 109.61 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -100.07 165.11 11.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.434 ' HA ' ' HB2' ' A' ' 39' ' ' CYS . . . -58.74 -37.48 76.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -65.25 -11.05 37.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -131.59 30.96 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 36' ' ' ALA . 49.8 t -80.8 131.67 59.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.282 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 3.01 5.97 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.818 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.629 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 2.9 ttmt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.933 0 N-CA-C 111.076 -0.394 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -104.21 145.43 30.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 110.303 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.79 175.93 14.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 133.19 30.28 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.985 -0.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -77.92 143.94 37.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.41 147.9 19.48 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 78.41 2.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -147.06 105.87 3.88 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.24 7.54 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.559 1.82 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -107.8 70.51 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.7 p -114.63 127.78 55.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.421 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -172.16 -44.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -178.0 -178.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.077 . . . . 0.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -125.2 -55.62 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -149.13 140.61 23.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.43 -139.55 7.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.53 120.28 0.97 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.43 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -65.31 -9.49 24.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.3 29.82 4.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.446 ' HG3' ' CB ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -114.13 179.15 4.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.9 t -104.55 135.35 46.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.307 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.15 22.71 9.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -123.96 -63.73 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 28.1 p -96.31 -10.23 28.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 108.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 83.47 -18.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.607 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 48.1 mt-10 -47.8 140.67 6.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.241 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.446 ' CB ' ' HG3' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -99.35 137.71 37.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.23 -45.41 1.14 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 39.3 p-80 -116.79 167.96 10.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.578 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -99.84 166.03 11.28 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.49 -45.97 80.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -9.21 25.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.415 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -119.1 16.37 13.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 18.0 t -69.92 131.54 89.14 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 108.353 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 0.79 8.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 1.6 mttt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.454 -0.849 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.59 161.49 23.88 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.467 1.104 . . . . 0.0 110.25 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.74 175.74 18.22 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.521 1.138 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -170.9 8.7 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.971 0.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.99 165.99 30.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.227 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.75 103.07 1.67 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.66 17.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.6 ptt-85 -111.62 142.19 26.1 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' THR . 18.2 Cg_endo -75.0 130.88 13.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.376 1.724 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -65.42 74.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' PRO . 5.1 m -58.91 106.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.932 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -74.31 106.69 6.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.05 104.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.24 117.46 4.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 73.62 10.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.4 177.98 35.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.24 84.31 0.33 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 110.344 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -4.94 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -132.99 24.11 4.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.52 1.137 . . . . 0.0 109.362 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.427 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 14.1 tt0 -117.83 138.63 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.47 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 44.9 t -62.19 132.87 54.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 108.308 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.26 28.29 3.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.609 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 33.3 t80 -128.66 -62.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 27.5 p -95.94 -14.01 23.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 108.265 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.1 23.37 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.563 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 47.3 mt-10 -87.1 117.05 25.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 0.6 OUTLIER -74.42 119.93 19.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.41 -59.29 0.5 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.072 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 31.0 p-80 -104.34 159.31 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.744 . . . . 0.0 109.599 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -93.11 163.19 13.73 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.62 -36.24 75.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -7.25 22.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.92 27.61 4.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 38.0 t -74.13 131.2 81.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 108.217 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 1.21 8.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.609 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.356 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.967 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 58.84 111.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.404 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . 173.28 170.43 36.86 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.404 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -75.04 161.18 95.34 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.015 0.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 136.03 29.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.98 173.84 50.06 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 59.05 5.09 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.443 1.759 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.6 85.24 0.19 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.233 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 79.48 2.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -160.88 64.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.235 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.6 p 43.03 77.24 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.396 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.9 t . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mttt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -178.89 153.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.76 154.16 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER 177.74 165.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.491 ' O ' ' CZ ' ' A' ' 11' ' ' ARG . 10.2 mt-30 -150.74 161.49 42.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.25 -176.04 46.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.75 -169.61 11.69 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.75 . . . . 0.0 110.337 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.498 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -70.15 0.44 6.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.581 1.176 . . . . 0.0 110.243 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -135.42 22.67 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.498 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -121.15 141.1 51.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 47.2 t -72.86 132.38 43.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 108.236 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.41 27.1 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.469 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 17.4 t80 -127.19 -54.91 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 111.048 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 27.4 p -104.24 -21.74 13.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 8.9 mmtt 84.71 24.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.479 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 41.9 mt-10 -88.79 120.84 30.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 118.14 20.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 146.76 -58.58 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.563 1.164 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.43 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 30.6 p-80 -103.35 167.02 10.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.787 . . . . 0.0 109.537 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -102.27 159.19 15.62 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.43 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -58.93 -33.02 70.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -9.27 24.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.89 31.16 3.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 37.2 t -72.67 134.02 82.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 108.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.463 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.05 2.98 6.05 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.442 1.759 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.42 86.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' PRO . . . 52.69 171.71 0.03 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.581 1.176 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.411 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -74.99 135.88 42.61 Favored 'Cis proline' 0 C--N 1.359 1.103 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.987 0.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -126.15 103.83 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.32 -178.86 30.02 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.143 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 129.9 12.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.34 94.99 0.52 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.2 36.22 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 176.75 76.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -169.88 116.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.376 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.007 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -142.97 151.37 40.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -123.9 124.33 42.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.251 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -115.35 150.59 36.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.14 83.39 1.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.83 152.5 20.75 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.6 141.13 12.3 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 110.279 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.409 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -64.28 -9.86 20.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.15 30.47 5.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.409 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -118.79 176.25 5.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 48.8 t -111.13 131.03 55.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 108.289 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.69 23.66 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 8.0 t80 -123.48 -64.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.808 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 26.3 p -97.01 -14.01 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 89.29 -21.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.808 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -47.19 154.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -110.94 142.68 42.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.64 -43.78 1.31 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.12 . . . . 0.0 110.978 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 29.0 p-80 -117.85 172.94 7.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.767 . . . . 0.0 109.594 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -106.03 162.82 13.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 108.012 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.24 -40.19 81.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -9.36 47.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.96 17.3 8.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.553 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 34.0 t -67.77 133.7 92.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.361 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.456 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.01 1.33 7.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.538 1.81 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.231 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.94 120.75 21.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.58 178.72 34.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.59 1.181 . . . . 0.0 111.031 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 158.14 99.19 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.972 -0.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -173.81 111.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.71 89.25 2.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 148.38 34.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.449 1.762 . . . . 0.0 110.951 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -93.45 120.32 66.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.255 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 170.15 21.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -75.61 162.42 28.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 53' ' ' THR . 9.2 t -150.58 69.06 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.394 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.7 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.002 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -176.43 151.85 1.02 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -65.2 161.66 18.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.03 154.19 35.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.5 pm0 -85.55 162.09 19.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.04 -123.98 2.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.24 61.45 0.85 Allowed Glycine 0 CA--C 1.531 1.069 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.803 . . . . 0.0 110.306 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.472 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -8.37 19.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -129.43 27.25 5.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.472 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 2.0 tt0 -119.67 130.82 55.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.215 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 41.8 t -63.24 138.22 58.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 108.314 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.9 25.34 6.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.594 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 1.9 t80 -125.6 -65.28 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.566 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 28.2 p -94.93 -15.28 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 108.261 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 78.69 22.98 0.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.566 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 47.7 mt-10 -89.01 122.78 32.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.333 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -78.61 127.35 32.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.77 -54.12 0.67 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.592 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 31.6 p-80 -108.41 162.05 14.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.644 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -94.8 163.71 13.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.25 78.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.247 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -68.58 -7.12 29.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -128.36 24.12 5.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.173 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.592 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 39.1 t -73.67 130.72 83.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 1.44 7.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.441 1.758 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.594 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 3.2 ttmt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.956 -0.44 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 173.4 53.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.16 176.6 0.85 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.524 1.14 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -58.27 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.99 -0.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.6 tpt85 64.05 120.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.2 152.53 0.39 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -178.55 4.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.47 151.13 95.66 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.324 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -172.4 1.25 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.535 1.808 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.01 158.73 16.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.7 p -61.41 171.81 1.33 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -169.87 86.03 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 175.72 157.43 0.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.392 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -135.78 129.84 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -124.34 136.8 54.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.5 -118.59 0.71 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.29 -109.31 0.91 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -7.29 22.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -126.55 21.54 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.479 ' CG ' ' HG3' ' A' ' 32' ' ' LYS . 8.9 mt-30 -110.61 172.72 6.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.361 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 41.7 t -104.17 129.58 51.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.346 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.51 32.79 1.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.469 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 7.6 t80 -131.11 -62.73 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.656 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 24.6 p -100.71 -10.09 21.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.347 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.15 21.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.656 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -72.91 -179.77 3.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HG3' ' CG ' ' A' ' 25' ' ' GLN . 1.9 mttt -132.71 119.17 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.07 -51.98 0.84 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 22.2 p-80 -104.93 158.79 16.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 0.732 . . . . 0.0 109.595 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -97.85 165.56 11.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.92 -35.52 73.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -7.29 38.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -128.25 17.03 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.369 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.574 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 19.1 t -66.86 133.41 93.97 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.422 1.076 . . . . 0.0 108.33 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.14 1.58 7.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' CE ' ' HB3' ' A' ' 29' ' ' CYS . 1.5 mtpt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' LYS . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 43.82 88.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -54.19 -176.73 0.11 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.582 1.176 . . . . 0.0 110.976 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 148.31 91.35 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.956 -2.518 . . . . 0.0 111.019 0.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.78 137.02 0.24 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 151.83 84.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.405 1.066 . . . . 0.0 111.07 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.84 4.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -126.09 96.95 35.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 172.66 15.93 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.43 75.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.8 p -73.31 84.2 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -111.53 82.3 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.244 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.88 130.77 44.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.9 139.62 25.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -166.66 161.84 16.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.326 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.65 -151.89 21.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.453 1.095 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.19 162.88 36.36 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.577 ' OE1' HG21 ' A' ' 53' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 110.351 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -68.17 -4.27 13.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.06 26.01 5.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -114.96 175.23 5.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.229 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.478 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 50.4 t -101.66 131.09 48.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 108.28 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.54 26.15 2.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.478 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 4.7 t80 -126.21 -61.03 1.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 23.7 p -97.93 -29.27 13.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 108.325 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 93.55 25.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.415 1.072 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.58 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -89.43 142.09 27.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -92.1 124.79 36.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.02 -50.91 0.81 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 31.1 p-80 -114.08 160.51 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.565 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -100.93 167.48 10.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . . . -59.12 -35.56 73.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 109.373 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -66.57 -8.72 28.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.243 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.56 29.54 3.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.556 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 30.2 t -75.8 133.18 73.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.433 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.01 1.41 7.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.457 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' LYS . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.98 174.02 15.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -176.59 175.37 47.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.9 94.59 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.961 0.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.01 141.13 50.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.51 129.08 16.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 105.17 2.03 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 134.36 22.7 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.423 ' CB ' ' HG3' ' A' ' 15' ' ' GLU . 18.1 Cg_endo -75.07 162.61 36.68 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.439 1.757 . . . . 0.0 110.949 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -152.01 88.59 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.577 HG21 ' OE1' ' A' ' 15' ' ' GLU . 2.7 t -142.59 128.36 19.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.177 . . . . 0.0 109.965 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 tptp . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.436 ' OE1' ' NH1' ' A' ' 11' ' ' ARG . 37.7 mm-40 -140.26 170.33 16.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -165.9 124.19 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.436 ' NH1' ' OE1' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -176.73 139.41 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -123.68 -48.57 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 110.326 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.52 -164.02 29.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' GLU . . . 123.55 177.26 15.03 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.3 pm0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.481 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -70.38 1.35 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.96 21.51 3.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -117.03 141.17 48.59 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.485 1.115 . . . . 0.0 110.354 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 48.6 t -70.96 130.56 41.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.276 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.54 29.27 2.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.407 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 33.6 t80 -129.33 -60.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.525 ' SG ' ' CG ' ' A' ' 31' ' ' GLU . 28.1 p -96.82 -15.96 21.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.7 25.4 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.252 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.525 ' CG ' ' SG ' ' A' ' 29' ' ' CYS . 47.2 mt-10 -93.26 122.61 35.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.361 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -79.43 125.75 29.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 142.6 -48.11 0.79 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.157 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 47.0 p-80 -116.55 171.07 8.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.576 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -104.14 165.5 11.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 108.002 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.64 -38.55 78.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -6.83 30.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -128.11 22.98 6.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.575 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 22.7 t -70.93 132.45 86.71 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 108.245 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD3' ' NE2' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.07 0.72 8.59 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.524 1.802 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.435 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 1.3 mttt . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 110.964 -0.437 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 179.48 80.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 110.34 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.3 -176.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.88 0.51 Allowed 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.949 0.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 178.48 152.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.21 88.28 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 153.19 41.26 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.48 1.779 . . . . 0.0 111.064 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.419 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 1.7 ptt180 -177.51 63.85 0.19 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 50' ' ' ARG . 18.1 Cg_endo -75.0 156.99 43.04 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -174.68 109.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.6 t -162.88 137.86 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.347 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.08 98.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.262 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 t70 177.23 144.81 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 12' ' ' GLN . 1.8 tpm_? -176.87 -69.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.235 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' ARG . 6.5 mt-30 54.41 168.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.082 . . . . 0.0 110.321 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 14' ' ' GLY . . . 156.85 151.97 6.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 13' ' ' GLY . . . 55.87 162.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.594 0.82 . . . . 0.0 110.237 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.9 t0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -7.04 21.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 110.385 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.6 25.22 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.372 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 13.9 mt-30 -113.66 179.64 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 46.3 t -101.57 134.98 43.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 108.341 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.34 23.24 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.411 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 5.5 t80 -124.35 -63.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.718 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.1 p -96.29 -19.52 19.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 108.325 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.565 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER 93.64 -19.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.718 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.7 OUTLIER -46.7 142.2 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -97.61 135.86 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.26 -47.63 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.545 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 33.1 p-80 -116.52 164.44 14.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.556 0.798 . . . . 0.0 109.633 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -101.06 166.15 10.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.589 1.181 . . . . 0.0 107.98 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.47 -35.35 73.92 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -68.66 -7.52 34.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.29 23.85 4.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.427 1.079 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 23.1 t -72.67 133.22 82.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 108.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.03 1.05 8.19 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -139.56 145.05 38.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.52 -178.08 15.31 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.54 1.15 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.17 60.21 Favored 'Cis proline' 0 C--N 1.359 1.085 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.028 -0.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -152.06 105.03 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -149.68 122.71 1.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.19 33.78 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.562 1.822 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -149.11 117.18 3.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.402 1.064 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 179.92 5.63 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -110.18 -61.89 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.8 m 59.08 156.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.7 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.964 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? 177.25 155.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.237 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.47 128.4 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.17 125.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -176.2 153.03 1.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.0 122.47 1.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.38 134.15 2.51 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 110.272 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.491 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -7.9 10.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.96 18.48 10.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.491 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -113.8 174.2 6.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.517 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 49.2 t -101.02 129.14 46.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 108.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.16 30.87 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.624 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 14.3 t80 -129.76 -58.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.4 p -103.91 -12.73 16.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 52.3 mmtt 79.22 21.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.66 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -73.66 172.39 11.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.66 116.2 20.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.6 -54.02 0.77 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.463 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 17.4 p-80 -102.04 157.95 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.561 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 3.6 m0 -98.89 160.94 13.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 108.047 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.451 ' HA ' ' HB2' ' A' ' 39' ' ' CYS . . . -58.64 -32.89 69.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -64.91 -9.84 24.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.69 32.69 2.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.466 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 34.4 t -73.41 133.99 80.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 108.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.5 Cg_endo -74.89 2.21 6.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.624 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 179.56 60.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.424 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . 53.37 169.75 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.424 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -74.98 -169.34 7.26 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.995 0.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.05 116.91 26.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.79 106.7 0.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.87 15.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.5 99.89 1.71 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 173.56 14.31 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -139.27 164.93 28.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.0 m -100.25 149.54 23.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.927 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -155.93 159.36 39.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -123.85 -175.26 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.222 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.91 112.56 3.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.88 -160.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.64 138.09 6.34 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.13 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.15 -156.35 14.23 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.568 0.805 . . . . 0.0 110.316 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.434 ' CG ' ' NE2' ' A' ' 25' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -69.43 -3.93 16.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' OE1' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -127.66 23.37 6.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.434 ' NE2' ' CG ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -111.7 174.89 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 43.1 t -109.76 135.44 50.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 108.261 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.48 32.15 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -134.24 -58.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.994 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.0 p -101.58 -17.72 16.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 108.318 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.604 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 18.3 mmtt 79.16 25.98 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.669 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.5 mt-10 -84.55 177.56 8.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -127.91 128.48 45.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.09 -45.22 1.15 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.654 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 37.8 p-80 -114.21 164.78 13.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.598 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -101.16 169.05 9.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 108.023 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.35 -41.07 83.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -71.99 -1.93 16.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.24 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.19 16.15 7.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.654 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 22.1 t -68.11 132.51 91.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 108.233 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.0 0.46 8.88 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.536 1.808 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.462 ' CE ' ' HB3' ' A' ' 29' ' ' CYS . 1.4 mtpt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.033 -0.41 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 136.39 39.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.76 -174.1 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 124.66 10.35 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.011 -2.495 . . . . 0.0 110.942 0.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.49 154.67 51.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.229 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.56 105.91 0.23 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 65.44 6.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 118.31 43.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 110.24 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 143.33 28.99 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.565 1.824 . . . . 0.0 110.986 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -113.5 146.72 39.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 t -167.32 159.55 12.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.376 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.98 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -172.86 155.79 3.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.79 149.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.251 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.66 132.04 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.83 155.44 19.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.241 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.64 140.86 4.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.57 1.169 . . . . 0.0 111.054 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.54 53.84 0.62 Allowed Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 110.289 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 21.3 tpp180 -66.87 -5.7 13.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -127.45 27.03 5.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.444 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -120.76 171.81 8.33 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 42.3 t -100.8 132.43 46.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.09 26.82 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.431 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 32.8 t80 -129.87 -56.97 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 29.0 p -105.55 -16.23 14.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 108.347 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 4.3 mmtt 91.26 -23.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.544 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 45.0 mt-10 -40.58 143.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 136.67 39.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 128.84 -48.52 0.97 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 32.0 p-80 -113.09 169.84 8.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.645 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -106.82 165.36 11.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.135 . . . . 0.0 107.987 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.93 -36.88 75.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -69.77 -5.35 24.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.02 20.29 4.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.556 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 21.2 t -67.91 132.92 92.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.332 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.4 Cg_endo -75.07 0.97 8.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 1.1 mtpt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.431 ' O ' ' CG ' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -173.26 59.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.52 -177.41 30.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.601 1.188 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -60.07 0.09 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.943 -2.524 . . . . 0.0 111.02 0.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 177.84 161.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.355 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.12 79.58 0.04 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 171.14 18.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -138.67 81.74 22.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 127.76 10.94 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.76 155.23 29.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.4 m -145.95 120.88 9.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 110.444 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.184 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.0 mttm . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -87.76 152.45 22.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -161.36 162.0 30.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.55 106.5 3.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.454 1.096 . . . . 0.0 110.34 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 177.99 128.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.58 171.4 31.91 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.68 154.98 26.18 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 110.255 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -65.84 -9.41 28.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -123.15 27.36 7.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.9 mt-30 -119.0 170.84 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 37.9 t -98.33 134.11 41.8 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.471 1.107 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.3 21.49 6.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.595 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 22.7 t80 -125.32 -63.85 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 111.037 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.749 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 28.4 p -96.49 -20.63 18.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 108.324 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.4 OUTLIER 95.73 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.749 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -41.35 143.18 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -101.16 142.36 32.71 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.202 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.39 -46.74 1.06 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 16.8 p-80 -113.96 155.85 25.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -90.49 165.96 13.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 108.05 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.56 -39.97 81.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -6.29 32.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.12 19.22 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.574 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 35.5 t -72.32 130.61 85.88 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 108.293 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 0.57 8.69 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.595 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 1.5 ttmt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -137.3 135.52 37.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.343 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.424 ' HA2' ' N ' ' A' ' 47' ' ' ARG . . . -70.61 -175.85 19.67 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 119.24 5.84 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.023 -0.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.424 ' N ' ' HA2' ' A' ' 45' ' ' GLY . 1.6 tpm_? -150.22 88.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.08 113.96 3.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.437 1.086 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.65 34.14 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.477 1.777 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.58 88.17 0.12 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -45.62 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.416 1.746 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 176.38 136.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.8 m -108.56 -72.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.374 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.8 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.168 . . . . 0.0 110.056 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.62 100.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -150.48 165.52 32.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.29 159.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -107.89 168.8 9.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.03 167.16 39.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.77 122.13 2.57 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.319 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.4 -5.37 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.213 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.81 29.06 4.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.416 1.072 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -119.2 -177.85 3.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 49.7 t -110.75 134.16 52.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 108.296 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.15 27.02 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.438 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 16.4 t80 -127.52 -63.54 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.697 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 24.3 p -93.18 -14.64 26.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.314 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 40.6 mmtt 75.43 26.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.697 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 2.4 mt-10 -83.57 -177.54 6.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.24 125.25 28.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.64 -45.71 1.1 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.557 1.161 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.611 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 42.8 p-80 -114.12 169.14 9.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.585 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -106.16 166.64 10.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 108.053 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.439 ' HB3' ' HE3' ' A' ' 37' ' ' LYS . . . -58.5 -38.82 78.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HE3' ' HB3' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -69.16 -4.95 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -131.62 24.18 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.611 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 29.4 t -71.1 132.9 86.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.02 1.08 8.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.768 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.473 ' CE ' ' HB3' ' A' ' 29' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' LYS . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.939 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -136.91 147.53 46.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.05 -179.1 19.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 165.42 85.95 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.904 0.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.43 51.97 0.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.33 93.28 0.1 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.41 1.068 . . . . 0.0 111.011 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 166.33 29.37 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.518 1.799 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.88 129.24 24.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 155.98 43.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -166.12 126.69 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.1 t -134.9 133.22 39.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.358 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.983 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 pttt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 10' ' ' ASP . 14.8 pt20 -155.27 131.34 10.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 9' ' ' GLN . 35.8 m-20 60.79 145.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 134.1 54.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -55.54 141.28 37.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.12 -107.4 1.19 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.08 160.65 21.64 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -10.12 21.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.9 31.24 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -121.2 132.32 54.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 41.7 t -64.34 131.98 48.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.44 1.087 . . . . 0.0 108.33 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.22 33.21 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.485 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 5.1 t80 -131.81 -53.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.601 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.5 p -109.13 -13.21 14.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.94 23.97 0.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.601 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 26.2 mt-10 -86.43 124.42 32.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -77.42 115.07 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.17 -61.26 0.42 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.59 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 45.3 p-80 -104.94 169.87 8.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 109.63 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -103.99 166.33 10.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.054 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.52 -36.76 76.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.26 -7.28 35.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.55 21.85 5.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.59 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 23.5 t -70.84 132.49 86.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.323 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.411 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.5 Cg_endo -74.99 0.93 8.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.401 1.737 . . . . 0.0 111.068 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.472 ' CD ' ' HB3' ' A' ' 29' ' ' CYS . 1.8 mtpp . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -178.18 100.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.75 -174.32 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.567 1.167 . . . . 0.0 110.974 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -64.48 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.992 -0.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.42 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER 71.56 157.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -153.3 104.96 0.27 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.442 1.089 . . . . 0.0 111.045 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 126.07 9.76 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -130.28 104.61 16.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 114.43 4.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.035 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -58.67 154.4 14.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.1 m -134.91 142.37 46.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.06 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -134.78 162.87 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.29 169.38 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -126.24 -60.04 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -179.09 166.46 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.331 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.62 -142.2 5.47 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.578 1.174 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 154.72 165.57 14.15 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.52 0.776 . . . . 0.0 110.21 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -65.62 -5.91 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.28 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -126.93 26.93 6.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -114.17 -175.94 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.8 t -113.91 137.93 51.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 108.316 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.12 26.4 5.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.619 ' CE1' ' HG3' ' A' ' 41' ' ' LYS . 2.2 t80 -127.54 -57.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 25.8 p -102.07 -24.17 13.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 3.3 mmtt 88.63 20.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.493 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 30.6 mt-10 -79.81 167.33 20.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.38 128.21 53.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.32 -45.7 1.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.654 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 19.2 p-80 -111.85 156.39 22.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 0.75 . . . . 0.0 109.547 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -93.77 167.23 11.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 108.005 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.43 81.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -4.55 19.57 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.65 5.17 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.654 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 15.5 t -60.41 134.66 91.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.293 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.07 0.84 8.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.558 1.82 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.619 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.47 99.43 7.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.86 174.61 46.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -171.08 8.88 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.021 -0.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -118.27 61.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.25 134.02 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.127 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 165.83 30.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.6 147.62 33.96 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 164.07 33.99 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.575 1.829 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -137.48 169.36 17.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -147.44 147.29 30.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 O-C-N 124.418 1.074 . . . . 0.0 110.032 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.655 HG22 HG23 ' A' ' 3' ' ' VAL . 18.9 m 63.61 136.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.388 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.655 HG23 HG22 ' A' ' 2' ' ' THR . 85.1 t 64.29 93.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.4 p -139.34 -47.35 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 p -177.53 144.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.45 146.5 5.4 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -163.59 -59.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 57.84 77.98 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.4 129.07 56.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.49 149.59 34.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.74 95.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.33 171.52 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.51 89.65 1.05 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.07 65.14 0.51 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -106.5 107.93 19.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.1 145.74 27.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -125.78 165.43 18.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.341 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.545 ' HB3' ' C5 ' ' B' ' 308' ' ' ' U' . 10.9 mtt85 -114.78 68.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m 54.87 37.28 28.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.19 35.91 26.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.87 HD11 ' HB2' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -44.61 143.47 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.51 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.3 OUTLIER -118.55 154.49 32.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -3.9 9.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -134.38 29.18 3.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.492 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -120.6 168.27 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 53.7 t -103.72 132.59 49.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 108.329 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.87 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -94.77 31.7 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.452 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 15.9 t80 -132.59 -58.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 27.2 p -102.23 -11.39 18.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 73.62 23.55 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.563 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 51.7 mt-10 -89.02 141.0 28.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.19 127.01 40.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.89 -47.79 0.85 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.599 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 51.2 p-80 -115.58 176.56 5.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.787 . . . . 0.0 109.614 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -108.88 165.38 11.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 107.964 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.584 ' HB2' ' O6 ' ' B' ' 309' ' ' ' G' . . . -58.7 -39.68 81.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.514 ' NZ ' " H2'" ' B' ' 307' ' ' ' C' . 13.2 mmtm -71.06 -2.72 16.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -130.2 20.07 5.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.599 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 21.7 t -67.7 132.61 92.58 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 108.285 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD3' ' NE2' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.0 1.01 8.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.506 1.792 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.509 ' CE ' ' O4 ' ' B' ' 306' ' ' ' U' . 0.5 OUTLIER -92.13 -22.43 19.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.5 106.54 0.65 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 162.12 37.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.37 147.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.418 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . -60.15 170.94 6.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -74.96 -174.36 13.95 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.013 0.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.94 162.94 27.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.3 -105.57 0.34 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 175.22 11.54 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.26 129.2 12.13 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.88 23.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -178.97 128.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.2 p -126.75 169.32 13.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.46 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.2 p -158.13 109.1 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 tt 58.41 110.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.945 8.161 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 O4'-C4'-C3' 92.354 -9.39 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 117.06 8.289 . 0.61 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . 0.402 ' C6 ' ' N1 ' ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 O4'-C4'-C3' 92.809 -9.065 . 0.639 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 117.281 8.534 . 0.348 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 281' ' ' ' U' . . . . . 0.448 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 93.299 -8.715 . 0.27 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 282' ' ' AP7 . . . . . 0.448 ' N6 ' ' O4 ' ' B' ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . 0.402 " O4'" " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 117.124 8.36 . 0.455 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . 0.623 ' C2 ' ' N2 ' ' B' ' 298' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 117.257 8.508 . 0.212 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 285' ' ' ' A' . . . . . 0.774 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 117.215 8.461 . 0.151 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 286' ' ' ' G' . . . . . 0.469 ' C2 ' ' C2 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 93.283 -8.727 . 0.726 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 287' ' ' ' U' . . . . . 0.495 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 93.705 -8.425 . 0.831 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 288' ' ' ' U' . . . . . 0.557 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 O4'-C4'-C3' 92.912 -8.991 . 0.696 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 289' ' ' ' G' . . . . . 0.557 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 O4'-C4'-C3' 92.138 -9.544 . 0.498 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 290' ' ' ' A' . . . . . 0.651 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 115.998 7.109 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 291' ' ' ' G' . . . . . 0.651 ' C2 ' ' N6 ' ' B' ' 290' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 117.142 8.38 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 292' ' ' ' A' . . . . . 0.645 ' C4 ' " H2'" ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 92.663 -9.169 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 293' ' ' ' A' . . . . . 0.59 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 117.206 8.451 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . 0.448 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.933 8.148 . 0.076 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 295' ' ' ' C' . . . . . 0.448 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 O4'-C4'-C3' 93.14 -8.829 . 0.325 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 O4'-C4'-C3' 93.328 -8.694 . 0.641 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 297' ' ' ' A' . . . . . 0.774 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 93.045 -8.896 . 0.641 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . 0.623 ' N2 ' ' C2 ' ' B' ' 284' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 O4'-C4'-C3' 92.515 -9.275 . 0.313 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 299' ' ' ' C' . . . . . 0.629 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.897 3 O4'-C4'-C3' 91.988 -9.651 . 0.353 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 300' ' ' ' U' . . . . . 0.629 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.661 2 C1'-O4'-C4' 117.45 8.723 . 0.496 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 301' ' ' ' C' . . . . . 0.813 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.0 3 O4'-C4'-C3' 92.57 -9.236 . 0.241 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 302' ' ' ' U' . . . . . 0.813 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 O4'-C4'-C3' 93.849 -8.322 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 303' ' ' ' G' . . . . . 0.559 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.041 2 O4'-C4'-C3' 91.339 -10.115 . 0.345 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 304' ' ' ' U' . . . . . 0.431 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.873 2 O4'-C4'-C3' 92.362 -9.384 . 0.045 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 305' ' ' ' A' . . . . . 0.431 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 O4'-C4'-C3' 90.666 -10.596 . 0.01 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 306' ' ' ' U' . . . . . 0.509 ' O4 ' ' CE ' ' A' ' 41' ' ' LYS . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 O4'-C4'-C3' 92.403 -9.355 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 307' ' ' ' C' . . . . . 0.514 " H2'" ' NZ ' ' A' ' 37' ' ' LYS . . . . . . . . 0 C3'--C2' 1.503 -2.013 3 C1'-O4'-C4' 117.114 8.349 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 308' ' ' ' U' . . . . . 0.545 ' C5 ' ' HB3' ' A' ' 18' ' ' ARG . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 O4'-C4'-C3' 92.262 -9.456 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 309' ' ' ' G' . . . . . 0.584 ' O6 ' ' HB2' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 O4'-C4'-C3' 93.301 -8.714 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 310' ' ' ' G' . . . . . 0.4 " O5'" " O3'" ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 O4'-C4'-C3' 91.921 -9.699 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 93.253 -8.748 . 0.195 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 312' ' ' ' G' . . . . . 0.469 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.049 7.166 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 313' ' ' ' G' . . . . . 0.549 " H2'" ' C8 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.15 2 C1'-O4'-C4' 117.291 8.545 . 0.211 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 314' ' ' ' A' . . . . . 0.641 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 117.088 8.32 . 0.71 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 315' ' ' ' C' . . . . . 0.641 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.305 -12.319 2 C1'-O4'-C4' 119.466 10.962 . 0.01 1b . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 316' ' ' ' C' . . . . . 0.509 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 O4'-C4'-C3' 94.192 -8.077 . 0.421 4g . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 317' ' ' ' C' . . . . . 0.509 ' C6 ' " H2'" ' B' ' 316' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.883 2 C1'-O4'-C4' 116.909 8.121 . 0.539 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 318' ' ' ' G' . . . . . 0.81 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 C1'-O4'-C4' 117.104 8.337 . 0.5 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.496 3.555 3 O4'-C4'-C3' 91.766 -9.81 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 320' ' ' ' G' . . . . . 0.81 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 3 C1'-O4'-C4' 115.018 6.02 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 321' ' ' ' G' . . . . . 0.688 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 92.43 -9.335 . 0.063 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 322' ' ' ' U' . . . . . 0.688 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.961 3 O4'-C4'-C3' 91.208 -10.209 . 0.502 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 323' ' ' ' G' . . . . . 0.432 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.919 3 C1'-O4'-C4' 116.907 8.119 . 0.251 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 324' ' ' ' G' . . . . . 0.744 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.003 0 C3'-C2'-O2' 102.709 -3.652 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 325' ' ' ' A' . . . . . 0.744 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 117.318 8.576 . 0.105 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 326' ' ' ' A' . . . . . 0.617 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 116.629 7.81 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 327' ' ' ' C' . . . . . 0.449 ' C4 ' ' C6 ' ' B' ' 326' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.803 8.003 . 0.61 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 328' ' ' ' U' . . . . . 0.654 ' C4 ' ' N7 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 C1'-O4'-C4' 117.285 8.539 . 0.834 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 329' ' ' ' G' . . . . . 0.654 ' N7 ' ' C4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 91.452 -10.034 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 330' ' ' ' U' . . . . . 0.41 ' C5 ' ' C5 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.222 2 C1'-O4'-C4' 117.386 8.652 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 331' ' ' ' G' . . . . . 0.694 ' C2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.934 3 C1'-O4'-C4' 117.328 8.587 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 332' ' ' ' A' . . . . . 0.694 ' C2 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.018 3 C1'-O4'-C4' 116.977 8.197 . 0.331 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 333' ' ' ' A' . . . . . 0.578 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.399 7.554 . 0.233 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 334' ' ' ' G' . . . . . 0.578 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 116.606 7.785 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 335' ' ' ' U' . . . . . 0.678 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 117.316 8.573 . 0.763 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 336' ' ' ' U' . . . . . 0.678 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 116.997 8.219 . 0.63 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 337' ' ' ' C' . . . . . 0.615 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 91.262 -10.17 . 0.35 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 338' ' ' ' G' . . . . . 0.821 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.021 2 O4'-C4'-C3' 90.398 -10.787 . 0.366 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 339' ' ' ' G' . . . . . 0.821 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 99.357 -11.381 OUTLIER-EPSILON 0.01 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 340' ' ' ' A' . . . . . 0.812 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.917 3 O4'-C4'-C3' 92.274 -9.447 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 341' ' ' ' A' . . . . . 0.812 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 117.189 8.432 . 0.541 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 3 C1'-O4'-C4' 116.853 8.059 . 0.361 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 343' ' ' ' A' . . . . . 0.645 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 117.193 8.437 . 0.6 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 344' ' ' ' C' . . . . . 0.645 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 94.213 -8.062 . 0.613 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 345' ' ' ' C' . . . . . 0.597 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 93.365 -8.668 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 346' ' ' ' C' . . . . . 0.642 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 91.413 -10.062 . 0.434 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 347' ' ' ' G' . . . . . 0.663 ' C6 ' ' C6 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 O4'-C4'-C3' 93.615 -8.489 . 0.323 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 348' ' ' ' G' . . . . . 0.663 ' C6 ' ' C6 ' ' B' ' 347' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.899 2 O4'-C4'-C3' 91.992 -9.649 . 0.273 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 349' ' ' ' C' . . . . . 0.448 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 O4'-C4'-C3' 91.87 -9.736 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 350' ' ' ' C' . . . . . 0.412 ' N4 ' ' O6 ' ' B' ' 351' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.912 3 O4'-C4'-C3' 92.197 -9.502 . 0.449 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 351' ' ' ' G' . . . . . 0.412 ' O6 ' ' N4 ' ' B' ' 350' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 117.254 8.504 . 0.383 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 3 O4'-C4'-C3' 92.603 -9.212 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 117.268 8.52 . 0.293 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 354' ' ' ' A' . . . . . 0.503 ' C6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 117.19 8.433 . 0.559 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 355' ' ' ' C' . . . . . 0.503 ' N4 ' ' C6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.012 3 O4'-C4'-C3' 92.77 -9.093 . 0.581 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 356' ' ' ' C' . . . . . 0.401 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 93.854 -8.319 . 0.142 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 357' ' ' ' C' . . . . . 0.463 ' C4 ' ' C5 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.059 7.176 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 358' ' ' ' U' . . . . . 0.463 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 O4'-C4'-C3' 93.459 -8.601 . 0.171 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 359' ' ' ' G' . . . . . 0.485 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 O4'-C4'-C3' 93.346 -8.681 . 0.43 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 360' ' ' ' G' . . . . . 0.485 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 O4'-C4'-C3' 93.794 -8.361 . 0.275 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 361' ' ' ' G' . . . . . 0.481 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 93.269 -8.737 . 0.342 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 362' ' ' ' A' . . . . . 0.481 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 117.165 8.406 . 0.546 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 363' ' ' ' G' . . . . . 0.479 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 117.237 8.486 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 1 C1'-O4'-C4' 105.49 -4.567 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 0 C3'-C2'-O2' 102.684 -3.661 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 93.738 -8.401 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 117.255 8.506 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 368' ' ' ' C' . . . . . 0.426 " H2'" ' C6 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 O4'-C4'-C3' 91.898 -9.716 . 0.151 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 369' ' ' ' C' . . . . . 0.426 ' C6 ' " H2'" ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 O4'-C4'-C3' 93.374 -8.661 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 92.501 -9.285 . 0.296 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 C1'-O4'-C4' 116.956 8.173 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 117.059 8.288 . 0.722 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 373' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.839 8.044 . 0.573 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 374' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 3 O4'-C4'-C3' 93.987 -8.223 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 91.953 -9.676 . 0.585 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 376' ' ' ' U' . . . . . 0.406 " O3'" ' OP1' ' B' ' 309' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 O4'-C4'-C3' 92.826 -9.053 . 0.422 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.8 p -128.88 174.02 9.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.424 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -174.48 142.83 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.8 p -142.53 135.94 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.226 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.25 146.41 53.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -125.33 167.38 17.72 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.449 1.093 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -153.99 157.78 39.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 110.279 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 157.04 43.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -142.49 157.65 44.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.3 161.46 40.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.43 -52.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.354 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 62.66 164.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.41 -135.86 8.36 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.439 1.087 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.8 175.49 43.91 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' O ' ' O2 ' ' B' ' 308' ' ' ' U' . 0.3 OUTLIER -161.4 178.51 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 110.26 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HA ' " H1'" ' B' ' 308' ' ' ' U' . 12.8 ptt180 -141.79 126.94 18.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.13 98.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.508 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -86.67 41.92 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -37.59 -40.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.23 51.85 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.508 ' CD1' ' HG2' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -103.43 88.47 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.478 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.4 OUTLIER -76.2 156.46 33.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -10.57 29.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -126.27 29.57 5.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.234 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 22.8 mt-30 -119.46 177.88 4.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 47.8 t -99.2 132.74 44.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 108.286 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.562 ' HB2' ' C6 ' ' B' ' 309' ' ' ' G' . . . -93.25 21.79 5.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 11.7 t80 -123.26 -60.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 26.5 p -100.81 -23.78 14.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.656 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER 100.78 -25.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.673 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -39.12 139.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 48.0 tttt -95.66 134.32 38.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.362 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.49 -50.54 0.89 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.433 1.083 . . . . 0.0 110.973 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.501 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 20.0 p-80 -112.43 155.89 23.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 109.629 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -95.17 167.15 11.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 108.021 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.552 ' HB1' " H1'" ' B' ' 307' ' ' ' C' . . . -59.29 -35.71 74.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -8.4 33.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.56 27.54 4.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.501 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 25.5 t -77.41 133.07 68.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.292 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.4 Cg_endo -75.08 1.17 8.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.435 1.755 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -88.34 -23.34 23.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.362 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.7 108.57 1.19 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 176.8 9.44 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.51 1.795 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -148.56 129.38 14.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -121.0 177.99 16.38 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.9 -50.38 0.19 OUTLIER 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.042 -2.483 . . . . 0.0 111.055 -0.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 43.61 85.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.379 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.42 82.07 0.22 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 175.45 11.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.544 1.813 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.48 132.32 0.34 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 168.55 24.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.568 1.825 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -158.61 162.6 37.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.6 t -143.37 158.43 43.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 110.441 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m -112.68 167.49 10.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.399 1.062 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.72 173.95 10.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . 0.429 ' C6 ' ' N7 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 117.023 8.248 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 277' ' ' ' G' . . . . . 0.429 ' N7 ' ' C6 ' ' B' ' 276' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 O4'-C4'-C3' 92.841 -9.042 . 0.666 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 278' ' ' ' C' . . . . . 0.425 ' C6 ' " H2'" ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.919 8.132 . 0.623 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 O4'-C4'-C3' 92.813 -9.062 . 0.603 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.3 8.556 . 0.1 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 93.743 -8.398 . 0.576 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 282' ' ' AP7 . . . . . 0.448 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . 0.448 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 117.231 8.479 . 0.392 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 C1'-O4'-C4' 117.169 8.41 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 285' ' ' ' A' . . . . . 0.796 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 117.135 8.372 . 0.251 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 286' ' ' ' G' . . . . . 0.432 ' C5 ' ' C6 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 O4'-C4'-C3' 93.142 -8.827 . 0.401 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 287' ' ' ' U' . . . . . 0.603 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.861 2 O4'-C4'-C3' 91.988 -9.652 . 0.632 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 288' ' ' ' U' . . . . . 0.603 ' C4 ' ' C4 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 92.512 -9.277 . 0.557 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 289' ' ' ' G' . . . . . 0.594 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.036 2 O4'-C4'-C3' 92.627 -9.195 . 0.585 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 290' ' ' ' A' . . . . . 0.651 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.199 7.332 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 291' ' ' ' G' . . . . . 0.729 ' C5 ' ' C6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.825 8.028 . 0.075 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 292' ' ' ' A' . . . . . 0.729 ' C6 ' ' C5 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 117.118 8.353 . 0.213 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 293' ' ' ' A' . . . . . 0.589 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 117.197 8.442 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . 0.436 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 117.244 8.493 . 0.547 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 295' ' ' ' C' . . . . . 0.436 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 116.97 8.188 . 0.186 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 296' ' ' ' U' . . . . . 0.416 " H2'" " O4'" ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 117.068 8.297 . 0.693 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 297' ' ' ' A' . . . . . 0.796 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 93.327 -8.695 . 0.495 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 3 O4'-C4'-C3' 92.43 -9.336 . 0.115 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 299' ' ' ' C' . . . . . 0.6 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.014 3 O4'-C4'-C3' 91.504 -9.997 . 0.302 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 300' ' ' ' U' . . . . . 0.631 ' C4 ' ' N4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.299 2 C1'-O4'-C4' 117.387 8.652 . 0.624 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 301' ' ' ' C' . . . . . 0.805 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.003 3 O4'-C4'-C3' 92.474 -9.304 . 0.172 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 302' ' ' ' U' . . . . . 0.805 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.146 8.384 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 303' ' ' ' G' . . . . . 0.613 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 O4'-C4'-C3' 91.783 -9.798 . 0.144 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 304' ' ' ' U' . . . . . 0.428 " O4'" " H2'" ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 O4'-C4'-C3' 93.249 -8.75 . 0.185 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 305' ' ' ' A' . . . . . 0.417 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.946 3 O4'-C4'-C3' 91.158 -10.244 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 306' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 92.197 -9.502 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 307' ' ' ' C' . . . . . 0.552 " H1'" ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.061 8.29 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 308' ' ' ' U' . . . . . 0.429 " H1'" ' HA ' ' A' ' 16' ' ' ARG . . . . . . . . 0 C3'--C2' 1.502 -2.053 2 O4'-C4'-C3' 92.823 -9.055 . 0.0 OUTLIER '7D dist 3a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 309' ' ' ' G' . . . . . 0.562 ' C6 ' ' HB2' ' A' ' 27' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 90.121 -10.985 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 310' ' ' ' G' . . . . . 0.545 ' O6 ' ' C4 ' ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 O4'-C4'-C3' 91.473 -10.019 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 311' ' ' ' C' . . . . . 0.433 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 O4'-C4'-C3' 92.721 -9.128 . 0.36 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 312' ' ' ' G' . . . . . 0.525 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 C1'-O4'-C4' 116.282 7.425 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 313' ' ' ' G' . . . . . 0.525 ' C5 ' ' C6 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.023 2 C1'-O4'-C4' 117.193 8.437 . 0.124 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 314' ' ' ' A' . . . . . 0.659 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 116.737 7.93 . 0.687 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 315' ' ' ' C' . . . . . 0.659 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.299 -12.826 2 C1'-O4'-C4' 119.559 11.066 . 0.01 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 115.988 7.098 . 0.144 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 317' ' ' ' C' . . . . . 0.643 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 117.226 8.473 . 0.377 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 318' ' ' ' G' . . . . . 0.799 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 C1'-O4'-C4' 117.164 8.405 . 0.397 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.491 3.191 2 O4'-C4'-C3' 91.627 -9.909 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 320' ' ' ' G' . . . . . 0.799 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.904 3 C1'-O4'-C4' 115.006 6.007 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 321' ' ' ' G' . . . . . 0.57 ' C5 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.896 3 O4'-C4'-C3' 92.459 -9.315 . 0.106 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 322' ' ' ' U' . . . . . 0.457 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 O4'-C4'-C3' 93.119 -8.843 . 0.11 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 323' ' ' ' G' . . . . . 0.627 ' C6 ' ' C2 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.484 2.583 2 C1'-O4'-C4' 116.415 7.573 . 0.127 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 324' ' ' ' G' . . . . . 0.696 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.689 7.877 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 325' ' ' ' A' . . . . . 0.696 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 117.315 8.573 . 0.628 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 326' ' ' ' A' . . . . . 0.631 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 116.718 7.909 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.772 7.969 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 328' ' ' ' U' . . . . . 0.631 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 117.258 8.509 . 0.847 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 329' ' ' ' G' . . . . . 0.631 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 O4'-C4'-C3' 92.898 -9.001 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 330' ' ' ' U' . . . . . 0.448 ' OP1' ' N7 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 O4'-C4'-C3' 91.878 -9.73 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 331' ' ' ' G' . . . . . 0.623 ' OP2' ' C2 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 93.378 -8.658 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 332' ' ' ' A' . . . . . 0.444 ' OP2' ' N2 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 117.281 8.534 . 0.081 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 333' ' ' ' A' . . . . . 0.575 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.205 8.45 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 334' ' ' ' G' . . . . . 0.575 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 116.867 8.074 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 335' ' ' ' U' . . . . . 0.613 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 117.145 8.383 . 0.662 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 336' ' ' ' U' . . . . . 0.613 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 116.936 8.151 . 0.58 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 337' ' ' ' C' . . . . . 0.623 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 O4'-C4'-C3' 90.988 -10.366 . 0.353 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 338' ' ' ' G' . . . . . 0.825 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.023 2 O4'-C4'-C3' 90.235 -10.904 . 0.667 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 339' ' ' ' G' . . . . . 0.825 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 99.745 -10.951 OUTLIER-EPSILON 0.037 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 340' ' ' ' A' . . . . . 0.795 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.478 2.088 3 O4'-C4'-C3' 92.18 -9.514 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 341' ' ' ' A' . . . . . 0.795 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 117.318 8.576 . 0.584 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.877 3 C1'-O4'-C4' 116.798 7.998 . 0.22 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 343' ' ' ' A' . . . . . 0.627 ' C2 ' ' C6 ' ' B' ' 323' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 117.185 8.428 . 0.616 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 344' ' ' ' C' . . . . . 0.53 ' C4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 O4'-C4'-C3' 92.629 -9.194 . 0.442 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 345' ' ' ' C' . . . . . 0.787 ' C4 ' ' C5 ' ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 93.081 -8.871 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 346' ' ' ' C' . . . . . 0.787 ' C5 ' ' C4 ' ' B' ' 345' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.873 1 O4'-C4'-C3' 90.578 -10.659 . 0.613 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 347' ' ' ' G' . . . . . 0.709 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 O4'-C4'-C3' 94.235 -8.046 . 0.322 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 348' ' ' ' G' . . . . . 0.709 ' C5 ' ' C6 ' ' B' ' 347' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 O4'-C4'-C3' 92.199 -9.501 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 349' ' ' ' C' . . . . . 0.469 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.962 3 O4'-C4'-C3' 91.513 -9.991 . 0.048 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 350' ' ' ' C' . . . . . 0.431 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.896 3 O4'-C4'-C3' 91.899 -9.715 . 0.452 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 C1'-O4'-C4' 117.232 8.481 . 0.411 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 352' ' ' ' C' . . . . . 0.415 ' C4 ' ' N6 ' ' B' ' 353' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 O4'-C4'-C3' 93.304 -8.712 . 0.59 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 353' ' ' ' A' . . . . . 0.415 ' N6 ' ' C4 ' ' B' ' 352' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.173 8.414 . 0.46 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 354' ' ' ' A' . . . . . 0.501 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 O4'-C4'-C3' 93.901 -8.285 . 0.794 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 355' ' ' ' C' . . . . . 0.501 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 92.372 -9.377 . 0.768 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 356' ' ' ' C' . . . . . 0.436 ' C6 ' " H2'" ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 93.25 -8.75 . 0.107 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 357' ' ' ' C' . . . . . 0.462 ' C4 ' ' C5 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 116.095 7.216 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 358' ' ' ' U' . . . . . 0.462 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.05 2 O4'-C4'-C3' 92.824 -9.054 . 0.188 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 359' ' ' ' G' . . . . . 0.462 ' C8 ' " H2'" ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 116.905 8.116 . 0.034 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 360' ' ' ' G' . . . . . 0.407 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.865 2 O4'-C4'-C3' 94.173 -8.091 . 0.415 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 361' ' ' ' G' . . . . . 0.484 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.029 2 O4'-C4'-C3' 93.125 -8.839 . 0.323 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 362' ' ' ' A' . . . . . 0.484 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 117.224 8.471 . 0.519 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 363' ' ' ' G' . . . . . 0.47 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 117.23 8.478 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 1 C1'-O4'-C4' 105.762 -4.265 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 1 C1'-O4'-C4' 104.459 -5.712 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 91.889 -9.722 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 117.236 8.485 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 368' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.072 2 O4'-C4'-C3' 92.136 -9.546 . 0.164 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 369' ' ' ' C' . . . . . 0.428 " H2'" ' C6 ' ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 93.098 -8.858 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 370' ' ' ' C' . . . . . 0.428 ' C6 ' " H2'" ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 92.566 -9.239 . 0.251 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 116.893 8.103 . 0.361 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 O4'-C4'-C3' 94.084 -8.154 . 0.62 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 373' ' ' ' G' . . . . . 0.478 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 116.729 7.921 . 0.02 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 374' ' ' ' G' . . . . . 0.58 ' C6 ' ' C4 ' ' B' ' 375' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 116.925 8.138 . 0.024 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 375' ' ' ' U' . . . . . 0.58 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.888 3 O4'-C4'-C3' 92.062 -9.598 . 0.709 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 376' ' ' ' U' . . . . . 0.545 ' C4 ' ' O6 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.057 2 O4'-C4'-C3' 93.672 -8.448 . 0.503 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.7 p -56.66 112.34 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.4 t -141.92 147.07 22.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 6' ' ' GLY . 74.5 t -92.33 117.73 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.05 -84.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 4' ' ' VAL . . . 42.74 -118.09 1.69 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -163.92 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.21 98.76 7.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.391 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -109.93 155.85 21.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -60.46 131.52 51.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.95 171.71 13.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -134.2 80.7 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.259 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.86 147.56 16.28 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.44 1.087 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.89 -124.96 3.07 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 169.76 177.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mtm-85 -159.75 -81.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.263 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.62 145.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -79.13 52.79 1.34 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.6 m 51.13 36.31 15.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 22' ' ' ASP . 31.2 mt-30 59.44 40.97 20.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.304 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.525 HD12 ' C5 ' ' B' ' 308' ' ' ' U' . 0.5 OUTLIER -48.96 94.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.477 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.9 OUTLIER -69.35 154.0 42.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.068 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 0.0 OUTLIER -67.26 -6.69 19.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.53 25.44 4.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 38.8 tt0 -116.86 133.8 55.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 49.3 t -60.31 131.09 49.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 108.288 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.19 25.43 6.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.591 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 9.8 t80 -122.82 -64.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 27.9 p -94.58 -9.89 33.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 108.295 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 74.82 23.03 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.606 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 50.7 mt-10 -90.23 115.45 27.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.77 127.85 33.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.269 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 138.82 -55.38 0.67 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.432 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 23.4 p-80 -108.9 160.4 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.67 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -92.11 158.76 16.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.009 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.497 ' CB ' ' O6 ' ' B' ' 309' ' ' ' G' . . . -59.8 -33.59 71.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -66.78 -10.3 46.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -129.64 25.79 5.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.371 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.472 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 35.9 t -71.88 134.15 83.73 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 108.229 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.0 Cg_endo -75.07 2.27 6.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.591 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 1.4 ttmt -88.29 -25.91 22.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.41 ' NZ ' ' N3 ' ' B' ' 307' ' ' ' C' . 3.6 mttt -42.95 101.99 0.26 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -50.21 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.558 1.82 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.14 89.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.504 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . -131.55 157.69 22.45 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.504 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -75.05 -33.66 3.91 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.953 -2.52 . . . . 0.0 111.04 0.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -171.67 122.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.579 1.174 . . . . 0.0 110.358 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -117.28 94.72 0.63 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 147.76 34.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.54 1.81 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.84 114.71 58.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -179.99 5.54 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.479 1.779 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -163.93 160.6 22.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 110.341 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 53' ' ' THR . 9.8 t -155.67 58.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.443 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.87 162.55 13.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.687 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -106.99 -44.78 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 C1'-O4'-C4' 116.777 7.975 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 92.668 -9.166 . 0.694 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.021 2 O4'-C4'-C3' 93.61 -8.493 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 116.758 7.953 . 0.523 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 280' ' ' ' G' . . . . . 0.418 ' C2 ' ' O2 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 117.058 8.286 . 0.553 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.871 2 O4'-C4'-C3' 92.633 -9.191 . 0.762 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 282' ' ' AP7 . . . . . 0.466 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . 0.466 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 117.202 8.447 . 0.205 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 C1'-O4'-C4' 117.197 8.441 . 0.827 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 285' ' ' ' A' . . . . . 0.795 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.027 2 C1'-O4'-C4' 117.102 8.335 . 0.043 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 286' ' ' ' G' . . . . . 0.408 " H2'" " O4'" ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.995 2 O4'-C4'-C3' 92.66 -9.171 . 0.407 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 287' ' ' ' U' . . . . . 0.427 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 O4'-C4'-C3' 91.438 -10.045 . 0.763 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 288' ' ' ' U' . . . . . 0.482 ' C4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 91.57 -9.95 . 0.711 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 289' ' ' ' G' . . . . . 0.506 " O2'" ' C8 ' ' B' ' 290' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 O4'-C4'-C3' 90.818 -10.487 . 0.644 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 290' ' ' ' A' . . . . . 0.506 ' C8 ' " O2'" ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 115.93 7.034 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 291' ' ' ' G' . . . . . 0.659 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 117.208 8.453 . 0.016 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 292' ' ' ' A' . . . . . 0.659 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 91.83 -9.764 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 293' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.391 7.546 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . 0.469 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 C1'-O4'-C4' 116.904 8.116 . 0.21 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 295' ' ' ' C' . . . . . 0.469 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.873 2 O4'-C4'-C3' 93.061 -8.885 . 0.204 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.996 -8.931 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 297' ' ' ' A' . . . . . 0.795 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 O4'-C4'-C3' 93.228 -8.765 . 0.646 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.855 3 O4'-C4'-C3' 92.249 -9.465 . 0.176 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 299' ' ' ' C' . . . . . 0.602 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.026 3 O4'-C4'-C3' 91.734 -9.833 . 0.363 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 300' ' ' ' U' . . . . . 0.631 ' C4 ' ' N4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.761 2 C1'-O4'-C4' 117.413 8.681 . 0.772 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 301' ' ' ' C' . . . . . 0.817 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.923 3 O4'-C4'-C3' 92.726 -9.124 . 0.139 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 302' ' ' ' U' . . . . . 0.817 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 C1'-O4'-C4' 117.249 8.498 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 303' ' ' ' G' . . . . . 0.465 ' C5 ' ' C5 ' ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.87 2 O4'-C4'-C3' 92.937 -8.973 . 0.534 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 304' ' ' ' U' . . . . . 0.465 ' C5 ' ' C5 ' ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 C1'-O4'-C4' 116.189 7.321 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 305' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 3 O4'-C4'-C3' 91.496 -10.003 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 306' ' ' ' U' . . . . . 0.498 ' C2 ' ' HA ' ' A' ' 29' ' ' CYS . . . . . . . . 0 C3'--C2' 1.504 -1.895 1 O4'-C4'-C3' 91.572 -9.948 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 307' ' ' ' C' . . . . . 0.41 ' N3 ' ' NZ ' ' A' ' 42' ' ' LYS . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 117.259 8.51 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 308' ' ' ' U' . . . . . 0.525 ' C5 ' HD12 ' A' ' 21' ' ' LEU . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 O4'-C4'-C3' 91.227 -10.195 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 309' ' ' ' G' . . . . . 0.497 ' O6 ' ' CB ' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -1.999 1 O4'-C4'-C3' 91.035 -10.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 310' ' ' ' G' . . . . . 0.418 " H2'" ' C6 ' ' B' ' 311' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 92.293 -9.434 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 311' ' ' ' C' . . . . . 0.418 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 93.165 -8.811 . 0.387 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 312' ' ' ' G' . . . . . 0.448 " O2'" " H5'" ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 115.913 7.015 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 313' ' ' ' G' . . . . . 0.448 " H5'" " O2'" ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.083 2 C1'-O4'-C4' 116.964 8.183 . 0.181 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 314' ' ' ' A' . . . . . 0.645 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.022 2 C1'-O4'-C4' 116.762 7.958 . 0.639 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 315' ' ' ' C' . . . . . 0.645 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.3 -12.751 2 C1'-O4'-C4' 119.578 11.087 . 0.01 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 C1'-O4'-C4' 116.87 8.077 . 0.065 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 317' ' ' ' C' . . . . . 0.638 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 116.923 8.137 . 0.437 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 318' ' ' ' G' . . . . . 0.809 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 C1'-O4'-C4' 117.217 8.464 . 0.414 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.495 3.473 2 O4'-C4'-C3' 92.479 -9.301 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 320' ' ' ' G' . . . . . 0.809 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.96 3 C1'-O4'-C4' 114.966 5.963 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 321' ' ' ' G' . . . . . 0.638 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.893 3 O4'-C4'-C3' 92.296 -9.431 . 0.091 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 322' ' ' ' U' . . . . . 0.638 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.921 3 O4'-C4'-C3' 91.199 -10.215 . 0.212 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 323' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 C1'-O4'-C4' 116.675 7.861 . 0.428 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 324' ' ' ' G' . . . . . 0.674 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.882 0 C3'-C2'-O2' 102.668 -3.666 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 325' ' ' ' A' . . . . . 0.694 ' C6 ' ' C6 ' ' B' ' 326' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.725 2 C1'-O4'-C4' 117.352 8.613 . 0.124 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 326' ' ' ' A' . . . . . 0.694 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.899 2 C1'-O4'-C4' 116.586 7.762 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 C1'-O4'-C4' 116.816 8.018 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 328' ' ' ' U' . . . . . 0.605 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 117.274 8.527 . 0.841 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 329' ' ' ' G' . . . . . 0.605 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 90.43 -10.764 . 0.564 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 330' ' ' ' U' . . . . . 0.495 ' C5 ' ' C5 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.498 2 C1'-O4'-C4' 117.065 8.294 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 331' ' ' ' G' . . . . . 0.701 ' C2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.039 2 C1'-O4'-C4' 117.462 8.735 . 0.107 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 332' ' ' ' A' . . . . . 0.701 ' C2 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 93.545 -8.539 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 333' ' ' ' A' . . . . . 0.611 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.13 2 C1'-O4'-C4' 117.265 8.517 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 334' ' ' ' G' . . . . . 0.611 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 116.544 7.716 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 335' ' ' ' U' . . . . . 0.654 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.865 2 C1'-O4'-C4' 117.179 8.421 . 0.509 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 336' ' ' ' U' . . . . . 0.654 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.242 2 C1'-O4'-C4' 117.55 8.833 . 0.36 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 337' ' ' ' C' . . . . . 0.68 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.031 2 C1'-O4'-C4' 116.616 7.796 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 338' ' ' ' G' . . . . . 0.699 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.031 2 O4'-C4'-C3' 90.195 -10.932 . 0.076 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 339' ' ' ' G' . . . . . 0.699 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 100.52 -10.089 OUTLIER-EPSILON 0.095 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 340' ' ' ' A' . . . . . 0.592 ' N1 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.482 2.421 2 O4'-C4'-C3' 93.145 -8.825 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 341' ' ' ' A' . . . . . 0.592 ' C4 ' ' N1 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.254 2 C1'-O4'-C4' 117.478 8.753 . 0.725 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.021 2 C1'-O4'-C4' 116.695 7.883 . 0.255 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 343' ' ' ' A' . . . . . 0.661 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 117.2 8.444 . 0.799 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 344' ' ' ' C' . . . . . 0.661 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 C1'-O4'-C4' 116.701 7.89 . 0.627 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 345' ' ' ' C' . . . . . 0.789 ' C4 ' ' C5 ' ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 117.087 8.319 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 346' ' ' ' C' . . . . . 0.789 ' C5 ' ' C4 ' ' B' ' 345' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 90.704 -10.569 . 0.46 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 347' ' ' ' G' . . . . . 0.453 ' C8 ' " H2'" ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 116.795 7.995 . 0.182 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 348' ' ' ' G' . . . . . 0.653 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 O4'-C4'-C3' 91.931 -9.692 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 349' ' ' ' C' . . . . . 0.653 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 O4'-C4'-C3' 91.019 -10.344 . 0.034 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 350' ' ' ' C' . . . . . 0.443 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.965 3 O4'-C4'-C3' 91.551 -9.964 . 0.478 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 117.113 8.348 . 0.425 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 O4'-C4'-C3' 92.546 -9.253 . 0.468 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 353' ' ' ' A' . . . . . 0.464 " H2'" " O4'" ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.827 3 C1'-O4'-C4' 117.268 8.519 . 0.277 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 354' ' ' ' A' . . . . . 0.464 " O4'" " H2'" ' B' ' 353' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 93.279 -8.729 . 0.549 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 355' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 O4'-C4'-C3' 92.88 -9.014 . 0.571 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 356' ' ' ' C' . . . . . 0.465 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 O4'-C4'-C3' 92.58 -9.228 . 0.589 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 357' ' ' ' C' . . . . . 0.465 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 116.712 7.902 . 0.35 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 358' ' ' ' U' . . . . . 0.444 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 O4'-C4'-C3' 93.568 -8.523 . 0.429 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 359' ' ' ' G' . . . . . 0.484 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.863 2 O4'-C4'-C3' 93.527 -8.552 . 0.03 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 360' ' ' ' G' . . . . . 0.484 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 117.029 8.254 . 0.445 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 361' ' ' ' G' . . . . . 0.477 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.02 2 C1'-O4'-C4' 117.0 8.223 . 0.347 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 362' ' ' ' A' . . . . . 0.481 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 C1'-O4'-C4' 117.181 8.423 . 0.463 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 363' ' ' ' G' . . . . . 0.481 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 117.234 8.482 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 1 C1'-O4'-C4' 104.857 -5.271 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 1 C1'-O4'-C4' 104.642 -5.509 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 1 C1'-O4'-C4' 114.834 5.816 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.022 2 C1'-O4'-C4' 117.125 8.361 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 368' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 92.632 -9.191 . 0.281 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 369' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 93.856 -8.317 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 92.905 -8.997 . 0.267 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 116.857 8.063 . 0.077 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.959 8.177 . 0.682 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 373' ' ' ' G' . . . . . 0.444 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 116.878 8.087 . 0.228 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 374' ' ' ' G' . . . . . 0.444 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 117.145 8.383 . 0.021 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 375' ' ' ' U' . . . . . 0.406 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.851 3 O4'-C4'-C3' 94.092 -8.148 . 0.54 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 92.516 -9.274 . 0.608 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.1 m -76.2 110.75 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.418 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.634 HG12 HG12 ' A' ' 4' ' ' VAL . 78.5 t -90.92 -54.06 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.634 HG12 HG12 ' A' ' 3' ' ' VAL . 2.4 p -166.25 -42.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -121.26 158.21 28.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.21 139.87 14.64 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -161.52 154.7 21.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 0.721 . . . . 0.0 110.245 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -160.39 124.03 3.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 73.51 96.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 31.0 t70 -177.68 136.39 0.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.446 ' CG ' ' O ' ' A' ' 10' ' ' ASP . 18.3 mtt180 -164.77 159.46 18.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.185 . . . . 0.0 110.301 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -163.86 142.54 7.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.33 -160.76 21.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.85 112.27 3.48 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -169.81 138.37 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.29 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER 52.93 177.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.508 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.0 OUTLIER 68.35 -55.43 0.52 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.227 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.689 ' HG2' HD12 ' A' ' 21' ' ' LEU . 28.5 mtt85 -73.17 38.42 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.539 ' C ' ' O ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -26.85 -41.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.939 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.591 ' N ' ' O ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -167.36 46.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.225 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.689 HD12 ' HG2' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -47.77 95.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.497 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 3.5 t0 -82.55 151.25 26.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.474 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 0.0 OUTLIER -62.1 -12.21 18.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.73 29.78 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -116.43 176.93 4.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 39.1 t -104.96 132.99 50.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 108.263 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.477 ' O ' " H4'" ' B' ' 307' ' ' ' C' . . . -92.26 20.53 5.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.384 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.629 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 2.6 t80 -124.58 -62.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.064 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.619 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 30.7 p -100.17 -20.36 16.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.332 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.619 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 1.2 mmtt 97.4 -27.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 0.0 109.239 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.527 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 47.0 mt-10 -34.46 150.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.01 138.49 44.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.77 -45.58 1.17 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.412 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 13.5 p-80 -114.02 161.47 17.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 0.744 . . . . 0.0 109.61 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -100.07 165.11 11.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.64 ' HB1' " H1'" ' B' ' 307' ' ' ' C' . . . -58.74 -37.48 76.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -65.25 -11.05 37.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -131.59 30.96 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 42' ' ' LYS . 49.8 t -80.8 131.67 59.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.282 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 3.01 5.97 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.818 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.629 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 2.9 ttmt -94.27 -26.41 16.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -79.09 114.25 42.92 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.63 4.65 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -104.21 145.43 30.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 110.303 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.79 175.93 14.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 133.19 30.28 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.985 -0.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -77.92 143.94 37.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.41 147.9 19.48 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 78.41 2.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -147.06 105.87 3.88 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.24 7.54 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.559 1.82 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -107.8 70.51 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.7 p -114.63 127.78 55.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.421 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.4 p -178.57 150.21 0.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.72 166.3 12.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.641 ' O ' HD23 ' A' ' 56' ' ' LEU . 6.9 tt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 117.251 8.501 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 O4'-C4'-C3' 92.562 -9.241 . 0.715 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 C1'-O4'-C4' 117.079 8.31 . 0.438 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.048 2 O4'-C4'-C3' 92.95 -8.964 . 0.69 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 117.216 8.463 . 0.026 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 93.639 -8.472 . 0.495 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 282' ' ' AP7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 93.696 -8.431 . 0.014 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 117.205 8.45 . 0.191 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 285' ' ' ' A' . . . . . 0.639 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 116.976 8.195 . 0.755 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 286' ' ' ' G' . . . . . 0.419 ' C5 ' ' C6 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 O4'-C4'-C3' 92.542 -9.256 . 0.521 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 287' ' ' ' U' . . . . . 0.518 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 92.729 -9.122 . 0.536 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 288' ' ' ' U' . . . . . 0.518 ' C4 ' ' C4 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 92.395 -9.361 . 0.68 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 289' ' ' ' G' . . . . . 0.6 ' C2 ' ' C6 ' ' B' ' 293' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 O4'-C4'-C3' 91.934 -9.69 . 0.012 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 290' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 O4'-C4'-C3' 92.701 -9.142 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 291' ' ' ' G' . . . . . 0.653 ' C2 ' ' C2 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 C1'-O4'-C4' 116.807 8.008 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 292' ' ' ' A' . . . . . 0.653 ' C2 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.851 2 C1'-O4'-C4' 116.937 8.152 . 0.086 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 293' ' ' ' A' . . . . . 0.6 ' C6 ' ' C2 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.205 8.45 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . 0.522 ' C6 ' ' C4 ' ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 117.173 8.415 . 0.797 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 295' ' ' ' C' . . . . . 0.522 ' C4 ' ' C6 ' ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.79 2 O4'-C4'-C3' 94.236 -8.046 . 0.29 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 296' ' ' ' U' . . . . . 0.444 " H2'" " O4'" ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 117.28 8.534 . 0.499 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 297' ' ' ' A' . . . . . 0.639 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 O4'-C4'-C3' 93.461 -8.599 . 0.519 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 93.416 -8.632 . 0.67 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 299' ' ' ' C' . . . . . 0.582 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.012 3 O4'-C4'-C3' 91.36 -10.1 . 0.311 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 300' ' ' ' U' . . . . . 0.582 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.653 2 C1'-O4'-C4' 117.393 8.659 . 0.598 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 301' ' ' ' C' . . . . . 0.797 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.906 3 O4'-C4'-C3' 92.382 -9.37 . 0.229 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 302' ' ' ' U' . . . . . 0.797 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 116.823 8.025 . 0.02 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 303' ' ' ' G' . . . . . 0.559 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 91.624 -9.911 . 0.347 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 304' ' ' ' U' . . . . . 0.418 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 C1'-O4'-C4' 116.812 8.013 . 0.06 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 305' ' ' ' A' . . . . . 0.418 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.021 2 O4'-C4'-C3' 94.013 -8.205 . 0.01 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 306' ' ' ' U' . . . . . 0.431 ' C5 ' ' HD2' ' A' ' 41' ' ' LYS . . . . . . . . 0 C3'--C2' 1.504 -1.949 1 O4'-C4'-C3' 90.853 -10.462 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 307' ' ' ' C' . . . . . 0.64 " H1'" ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 O4'--C4' 1.429 -2.021 2 C1'-O4'-C4' 117.191 8.435 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 308' ' ' ' U' . . . . . 0.509 ' OP2' " C2'" ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 91.458 -10.03 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 309' ' ' ' G' . . . . . 0.497 ' N2 ' ' O ' ' A' ' 22' ' ' ASP . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 O4'-C4'-C3' 91.294 -10.147 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 310' ' ' ' G' . . . . . 0.594 ' O6 ' ' C4 ' ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.963 1 O4'-C4'-C3' 90.067 -11.023 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 311' ' ' ' C' . . . . . 0.57 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.835 2 O4'-C4'-C3' 92.329 -9.408 . 0.197 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 312' ' ' ' G' . . . . . 0.549 ' N1 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 C1'-O4'-C4' 116.3 7.445 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 313' ' ' ' G' . . . . . 0.549 ' C5 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 116.955 8.172 . 0.21 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 314' ' ' ' A' . . . . . 0.642 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 C1'-O4'-C4' 116.716 7.906 . 0.618 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 315' ' ' ' C' . . . . . 0.642 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.296 -13.059 2 C1'-O4'-C4' 119.584 11.093 . 0.014 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.96 1 C1'-O4'-C4' 115.595 6.661 . 0.092 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 317' ' ' ' C' . . . . . 0.64 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 117.086 8.318 . 0.316 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 318' ' ' ' G' . . . . . 0.793 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 117.142 8.38 . 0.414 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.493 3.365 2 O4'-C4'-C3' 93.062 -8.884 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 320' ' ' ' G' . . . . . 0.793 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.013 1 C1'-O4'-C4' 114.367 5.297 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 321' ' ' ' G' . . . . . 0.655 ' C6 ' ' N3 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.966 3 O4'-C4'-C3' 92.8 -9.071 . 0.119 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 322' ' ' ' U' . . . . . 0.655 ' N3 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.04 2 O4'-C4'-C3' 91.285 -10.154 . 0.742 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 323' ' ' ' G' . . . . . 0.404 " C2'" " O5'" ' B' ' 324' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 O4'-C4'-C3' 92.145 -9.539 . 0.403 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 324' ' ' ' G' . . . . . 0.655 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.91 0 C3'-C2'-O2' 102.694 -3.657 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 325' ' ' ' A' . . . . . 0.655 ' C6 ' ' C6 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.218 2 C1'-O4'-C4' 116.997 8.219 . 0.11 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 326' ' ' ' A' . . . . . 0.54 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.644 7.827 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 116.86 8.067 . 0.424 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 328' ' ' ' U' . . . . . 0.611 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.034 2 C1'-O4'-C4' 117.24 8.488 . 0.738 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 329' ' ' ' G' . . . . . 0.611 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 O4'-C4'-C3' 92.066 -9.596 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.051 2 O4'-C4'-C3' 91.373 -10.091 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 331' ' ' ' G' . . . . . 0.607 ' C2 ' ' N1 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 O4'-C4'-C3' 93.52 -8.557 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 332' ' ' ' A' . . . . . 0.607 ' N1 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 116.822 8.025 . 0.221 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 333' ' ' ' A' . . . . . 0.58 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 117.266 8.517 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 334' ' ' ' G' . . . . . 0.58 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 116.913 8.126 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 335' ' ' ' U' . . . . . 0.637 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.853 2 C1'-O4'-C4' 117.092 8.324 . 0.277 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 336' ' ' ' U' . . . . . 0.637 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 C1'-O4'-C4' 117.132 8.369 . 0.378 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 337' ' ' ' C' . . . . . 0.689 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 117.331 8.59 . 0.46 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 338' ' ' ' G' . . . . . 0.689 ' N7 ' ' C4 ' ' B' ' 337' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 90.189 -10.936 . 0.255 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 339' ' ' ' G' . . . . . 0.671 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 100.557 -10.047 OUTLIER-EPSILON 0.113 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 340' ' ' ' A' . . . . . 0.597 ' N1 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.484 2.619 2 O4'-C4'-C3' 92.932 -8.977 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 341' ' ' ' A' . . . . . 0.597 ' C4 ' ' N1 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.282 2 C1'-O4'-C4' 117.441 8.712 . 0.63 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.858 8.064 . 0.248 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 343' ' ' ' A' . . . . . 0.64 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 117.209 8.454 . 0.706 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 344' ' ' ' C' . . . . . 0.64 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 O4'-C4'-C3' 93.68 -8.443 . 0.473 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 345' ' ' ' C' . . . . . 0.601 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 C1'-O4'-C4' 116.803 8.003 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 346' ' ' ' C' . . . . . 0.606 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 O4'-C4'-C3' 92.983 -8.941 . 0.083 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 347' ' ' ' G' . . . . . 0.479 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 O4'-C4'-C3' 92.948 -8.965 . 0.638 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 348' ' ' ' G' . . . . . 0.64 ' N2 ' ' C2 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 O4'-C4'-C3' 91.632 -9.905 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 349' ' ' ' C' . . . . . 0.478 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.97 3 O4'-C4'-C3' 91.365 -10.096 . 0.029 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 350' ' ' ' C' . . . . . 0.434 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 O4'-C4'-C3' 91.225 -10.196 . 0.5 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 C1'-O4'-C4' 117.272 8.525 . 0.551 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 352' ' ' ' C' . . . . . 0.473 ' N4 ' ' N6 ' ' B' ' 353' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.979 3 O4'-C4'-C3' 92.731 -9.121 . 0.412 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 353' ' ' ' A' . . . . . 0.473 ' N6 ' ' N4 ' ' B' ' 352' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 92.558 -9.245 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 354' ' ' ' A' . . . . . 0.486 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.989 3 O4'-C4'-C3' 91.803 -9.783 . 0.716 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 355' ' ' ' C' . . . . . 0.49 " H2'" ' C6 ' ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 93.15 -8.822 . 0.807 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 356' ' ' ' C' . . . . . 0.49 ' C6 ' " H2'" ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 117.18 8.422 . 0.121 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 357' ' ' ' C' . . . . . 0.455 ' C4 ' ' C5 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.09 7.211 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 358' ' ' ' U' . . . . . 0.455 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 O4'-C4'-C3' 93.261 -8.742 . 0.278 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 359' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 C1'-O4'-C4' 117.2 8.445 . 0.395 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 360' ' ' ' G' . . . . . 0.401 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.187 8.43 . 0.217 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 361' ' ' ' G' . . . . . 0.488 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 C1'-O4'-C4' 116.948 8.165 . 0.321 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 362' ' ' ' A' . . . . . 0.488 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.218 8.465 . 0.106 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 363' ' ' ' G' . . . . . 0.473 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.053 2 C1'-O4'-C4' 117.286 8.541 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 O4'-C4'-C3' 93.599 -8.501 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 0 C3'-C2'-O2' 102.674 -3.664 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.021 0 C3'-C2'-O2' 102.702 -3.655 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 117.24 8.489 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 368' ' ' ' C' . . . . . 0.441 " H2'" ' C6 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 O4'-C4'-C3' 91.814 -9.776 . 0.216 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 369' ' ' ' C' . . . . . 0.441 ' C6 ' " H2'" ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 93.317 -8.702 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 370' ' ' ' C' . . . . . 0.498 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 92.397 -9.359 . 0.14 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 371' ' ' ' A' . . . . . 0.498 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 C1'-O4'-C4' 116.857 8.064 . 0.226 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.934 8.148 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 373' ' ' ' G' . . . . . 0.436 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 117.176 8.418 . 0.658 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 374' ' ' ' G' . . . . . 0.436 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 117.295 8.55 . 0.319 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 375' ' ' ' U' . . . . . 0.438 " H2'" " O4'" ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 93.669 -8.45 . 0.919 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 376' ' ' ' U' . . . . . 0.594 ' C4 ' ' O6 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 93.477 -8.588 . 0.487 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.409 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 1' ' ' ALA . 6.3 t -175.91 146.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 67.2 t -125.75 136.87 59.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 66.3 t -124.39 -78.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 p 169.11 176.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.537 1.148 . . . . 0.0 110.035 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.8 133.58 3.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.6 -63.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.585 0.814 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -154.79 170.77 20.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -172.16 -44.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -178.0 -178.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.077 . . . . 0.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -125.2 -55.62 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -149.13 140.61 23.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.43 -139.55 7.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.53 120.28 0.97 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' C ' ' O2 ' ' B' ' 308' ' ' ' U' . 0.6 OUTLIER 179.11 144.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.413 ' N ' ' O2 ' ' B' ' 308' ' ' ' U' . 8.1 mtm180 -161.04 100.94 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -174.6 97.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -88.15 42.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.301 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.78 -38.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.975 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -147.25 50.59 1.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.367 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.482 ' CD1' ' HG2' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -101.4 89.05 3.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.503 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.3 OUTLIER -76.08 157.32 33.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -65.31 -9.49 24.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.3 29.82 4.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.446 ' HG3' ' CB ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -114.13 179.15 4.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.9 t -104.55 135.35 46.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.307 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.49 ' HB2' ' C6 ' ' B' ' 309' ' ' ' G' . . . -98.15 22.71 9.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.609 ' O ' ' C2 ' ' B' ' 306' ' ' ' U' . 11.4 t80 -123.96 -63.73 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 28.1 p -96.31 -10.23 28.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 108.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 83.47 -18.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.607 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 48.1 mt-10 -47.8 140.67 6.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.241 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.446 ' CB ' ' HG3' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -99.35 137.71 37.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.23 -45.41 1.14 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 39.3 p-80 -116.79 167.96 10.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.578 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -99.84 166.03 11.28 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.558 ' HB2' ' O6 ' ' B' ' 309' ' ' ' G' . . . -56.49 -45.97 80.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -9.21 25.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.415 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -119.1 16.37 13.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 18.0 t -69.92 131.54 89.14 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 108.353 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 0.79 8.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.503 ' HE2' ' C4 ' ' B' ' 306' ' ' ' U' . 1.6 mttt -93.84 -23.02 18.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.78 110.15 2.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 55.24 3.93 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.59 161.49 23.88 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.467 1.104 . . . . 0.0 110.25 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.74 175.74 18.22 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.521 1.138 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -170.9 8.7 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.971 0.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.99 165.99 30.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.227 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.75 103.07 1.67 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.66 17.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.6 ptt-85 -111.62 142.19 26.1 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' THR . 18.2 Cg_endo -75.0 130.88 13.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.376 1.724 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -65.42 74.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' PRO . 5.1 m -58.91 106.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.9 m -93.19 116.96 29.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.932 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -61.17 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.345 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 116.543 7.715 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 92.995 -8.932 . 0.517 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 117.101 8.334 . 0.637 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 O4'-C4'-C3' 93.0 -8.929 . 0.463 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 117.275 8.527 . 0.072 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 281' ' ' ' U' . . . . . 0.444 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 93.33 -8.693 . 0.229 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 282' ' ' AP7 . . . . . 0.457 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . 0.457 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.875 2 C1'-O4'-C4' 116.986 8.206 . 0.438 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.849 2 C1'-O4'-C4' 116.854 8.06 . 0.546 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 285' ' ' ' A' . . . . . 0.787 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 117.262 8.514 . 0.049 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 O4'-C4'-C3' 93.791 -8.363 . 0.562 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 287' ' ' ' U' . . . . . 0.462 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 O4'-C4'-C3' 92.718 -9.13 . 0.532 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 288' ' ' ' U' . . . . . 0.527 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 O4'-C4'-C3' 91.851 -9.749 . 0.546 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 289' ' ' ' G' . . . . . 0.527 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 92.307 -9.423 . 0.327 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 290' ' ' ' A' . . . . . 0.419 " H2'" " C5'" ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 91.713 -9.848 . 0.141 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 291' ' ' ' G' . . . . . 0.722 ' C2 ' ' C2 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 116.849 8.054 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 292' ' ' ' A' . . . . . 0.722 ' C2 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 O4'-C4'-C3' 92.711 -9.135 . 0.034 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 293' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 116.741 7.935 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . 0.434 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 117.319 8.577 . 0.756 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 295' ' ' ' C' . . . . . 0.434 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 93.948 -8.251 . 0.335 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 296' ' ' ' U' . . . . . 0.406 " H2'" " O4'" ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 C1'-O4'-C4' 117.012 8.236 . 0.51 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 297' ' ' ' A' . . . . . 0.787 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 O4'-C4'-C3' 94.029 -8.194 . 0.522 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 3 O4'-C4'-C3' 93.446 -8.61 . 0.328 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 299' ' ' ' C' . . . . . 0.594 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.976 3 O4'-C4'-C3' 92.089 -9.579 . 0.448 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 300' ' ' ' U' . . . . . 0.594 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.633 2 C1'-O4'-C4' 117.488 8.765 . 0.613 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 301' ' ' ' C' . . . . . 0.807 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.98 3 O4'-C4'-C3' 91.481 -10.013 . 0.151 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 302' ' ' ' U' . . . . . 0.807 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 117.163 8.404 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 303' ' ' ' G' . . . . . 0.638 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 91.637 -9.902 . 0.368 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 304' ' ' ' U' . . . . . 0.453 " O2'" ' OP1' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 93.532 -8.549 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 305' ' ' ' A' . . . . . 0.453 ' OP1' " O2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.907 1 O4'-C4'-C3' 91.139 -10.258 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 306' ' ' ' U' . . . . . 0.609 ' C2 ' ' O ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C3'--C2' 1.504 -1.938 1 O4'-C4'-C3' 91.615 -9.918 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 307' ' ' ' C' . . . . . 0.511 " C2'" ' OP2' ' B' ' 308' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.907 3 C1'-O4'-C4' 117.247 8.496 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 308' ' ' ' U' . . . . . 0.511 ' OP2' " C2'" ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 O4'-C4'-C3' 92.27 -9.45 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 309' ' ' ' G' . . . . . 0.558 ' O6 ' ' HB2' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -2.0 3 O4'-C4'-C3' 91.367 -10.095 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 310' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.258 -8.744 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 93.453 -8.605 . 0.277 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 312' ' ' ' G' . . . . . 0.533 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 116.389 7.544 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 313' ' ' ' G' . . . . . 0.568 " H2'" ' C8 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 117.273 8.525 . 0.085 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 314' ' ' ' A' . . . . . 0.653 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 C1'-O4'-C4' 116.754 7.948 . 0.564 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 315' ' ' ' C' . . . . . 0.653 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.302 -12.591 2 C1'-O4'-C4' 119.542 11.046 . 0.01 1b . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 316' ' ' ' C' . . . . . 0.491 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.978 3 C1'-O4'-C4' 116.532 7.702 . 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 317' ' ' ' C' . . . . . 0.491 ' C6 ' " H2'" ' B' ' 316' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 117.295 8.55 . 0.469 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 318' ' ' ' G' . . . . . 0.799 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 117.091 8.324 . 0.329 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.488 2.929 2 O4'-C4'-C3' 92.034 -9.619 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 320' ' ' ' G' . . . . . 0.799 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 115.12 6.133 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 321' ' ' ' G' . . . . . 0.667 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.983 3 O4'-C4'-C3' 92.052 -9.606 . 0.113 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 322' ' ' ' U' . . . . . 0.667 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.906 3 O4'-C4'-C3' 91.025 -10.34 . 0.421 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 323' ' ' ' G' . . . . . 0.502 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 C1'-O4'-C4' 116.561 7.735 . 0.373 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 324' ' ' ' G' . . . . . 0.738 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.956 0 C3'-C2'-O2' 102.729 -3.645 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 325' ' ' ' A' . . . . . 0.738 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.982 2 C1'-O4'-C4' 117.432 8.702 . 0.054 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 326' ' ' ' A' . . . . . 0.608 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 C1'-O4'-C4' 116.684 7.871 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.856 8.062 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 328' ' ' ' U' . . . . . 0.478 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.712 7.903 . 0.7 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 329' ' ' ' G' . . . . . 0.589 ' C6 ' ' OP2' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 O4'-C4'-C3' 92.711 -9.135 . 0.058 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 330' ' ' ' U' . . . . . 0.47 ' C6 ' " O5'" ' B' ' 330' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.302 -12.567 3 C1'-O4'-C4' 119.008 10.454 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' B' B ' 331' ' ' ' G' . . . . . 0.589 ' OP2' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 93.572 -8.52 . 0.13 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 332' ' ' ' A' . . . . . 0.44 ' N9 ' " H2'" ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 116.824 8.027 . 0.234 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 333' ' ' ' A' . . . . . 0.585 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.347 7.497 . 0.036 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 334' ' ' ' G' . . . . . 0.585 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 116.702 7.892 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 335' ' ' ' U' . . . . . 0.622 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 117.255 8.505 . 0.517 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 336' ' ' ' U' . . . . . 0.622 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 C1'-O4'-C4' 117.05 8.278 . 0.542 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 337' ' ' ' C' . . . . . 0.618 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.832 1 O4'-C4'-C3' 91.055 -10.318 . 0.503 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 338' ' ' ' G' . . . . . 0.823 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 90.385 -10.796 . 0.401 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 339' ' ' ' G' . . . . . 0.823 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 99.304 -11.44 OUTLIER-EPSILON 0.022 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 340' ' ' ' A' . . . . . 0.794 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.478 2.06 2 O4'-C4'-C3' 92.443 -9.327 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 341' ' ' ' A' . . . . . 0.794 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.865 2 C1'-O4'-C4' 117.264 8.515 . 0.649 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.631 7.813 . 0.724 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 343' ' ' ' A' . . . . . 0.62 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 C1'-O4'-C4' 117.185 8.428 . 0.744 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 344' ' ' ' C' . . . . . 0.62 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 O4'-C4'-C3' 93.788 -8.366 . 0.584 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 345' ' ' ' C' . . . . . 0.601 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 93.708 -8.423 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 346' ' ' ' C' . . . . . 0.662 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 90.799 -10.501 . 0.535 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 347' ' ' ' G' . . . . . 0.756 ' C6 ' ' C6 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 93.484 -8.583 . 0.33 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 348' ' ' ' G' . . . . . 0.756 ' C6 ' ' C6 ' ' B' ' 347' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.039 2 O4'-C4'-C3' 93.142 -8.827 . 0.405 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 349' ' ' ' C' . . . . . 0.642 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.996 3 O4'-C4'-C3' 91.456 -10.031 . 0.019 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 350' ' ' ' C' . . . . . 0.44 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.029 3 O4'-C4'-C3' 91.986 -9.653 . 0.194 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 C1'-O4'-C4' 117.203 8.448 . 0.445 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.816 3 O4'-C4'-C3' 92.052 -9.606 . 0.502 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.032 3 C1'-O4'-C4' 117.116 8.351 . 0.184 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 354' ' ' ' A' . . . . . 0.534 ' C6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.976 3 C1'-O4'-C4' 116.976 8.195 . 0.499 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 355' ' ' ' C' . . . . . 0.534 ' N4 ' ' C6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 O4'-C4'-C3' 93.149 -8.822 . 0.521 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 356' ' ' ' C' . . . . . 0.468 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 O4'-C4'-C3' 93.489 -8.58 . 0.252 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 357' ' ' ' C' . . . . . 0.468 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 116.121 7.245 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 358' ' ' ' U' . . . . . 0.45 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.998 3 O4'-C4'-C3' 91.55 -9.964 . 0.105 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 359' ' ' ' G' . . . . . 0.477 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 O4'-C4'-C3' 93.181 -8.799 . 0.239 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 360' ' ' ' G' . . . . . 0.477 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 93.971 -8.235 . 0.272 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 361' ' ' ' G' . . . . . 0.471 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 93.409 -8.636 . 0.261 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 362' ' ' ' A' . . . . . 0.471 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 117.236 8.484 . 0.527 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 363' ' ' ' G' . . . . . 0.468 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 117.224 8.471 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.013 1 C1'-O4'-C4' 104.849 -5.279 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 0 C3'-C2'-O2' 102.715 -3.65 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 O4'-C4'-C3' 94.206 -8.067 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 117.07 8.3 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 368' ' ' ' C' . . . . . 0.428 ' C4 ' ' N4 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 C1'-O4'-C4' 116.984 8.204 . 0.521 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 369' ' ' ' C' . . . . . 0.428 ' N4 ' ' C4 ' ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 117.006 8.228 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 O4'-C4'-C3' 92.496 -9.288 . 0.282 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 116.811 8.013 . 0.149 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 C1'-O4'-C4' 116.838 8.042 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 373' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 117.191 8.435 . 0.347 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 374' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 3 O4'-C4'-C3' 93.376 -8.66 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.057 3 O4'-C4'-C3' 91.387 -10.081 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 376' ' ' ' U' . . . . . 0.403 " O3'" ' OP1' ' B' ' 309' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 O4'-C4'-C3' 92.093 -9.576 . 0.335 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.0 t -151.95 130.6 12.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.111 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -131.56 132.7 62.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.425 1.078 . . . . 0.0 109.241 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.4 m -73.96 125.68 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.76 111.85 6.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.5 -128.77 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.557 1.161 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -143.36 149.51 37.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.774 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.72 137.46 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -74.31 106.69 6.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.05 104.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.24 117.46 4.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 73.62 10.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.4 177.98 35.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.24 84.31 0.33 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -165.87 142.64 5.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 110.344 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -113.95 -58.63 2.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.439 ' NE ' ' O2 ' ' B' ' 308' ' ' ' U' . 1.3 tpt180 -146.13 -66.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.598 ' O ' ' C ' ' A' ' 19' ' ' SER . 2.9 mtt85 -108.06 50.8 0.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.598 ' C ' ' O ' ' A' ' 18' ' ' ARG . 29.2 t -21.5 -50.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.558 ' N ' ' O ' ' A' ' 18' ' ' ARG . 1.4 tt0 -160.89 52.28 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.681 HD21 ' C2 ' ' B' ' 309' ' ' ' G' . 0.0 OUTLIER -67.0 97.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 9.9 t0 -73.65 155.36 39.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -4.94 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -132.99 24.11 4.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.52 1.137 . . . . 0.0 109.362 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.427 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 14.1 tt0 -117.83 138.63 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.47 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 44.9 t -62.19 132.87 54.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 108.308 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.444 ' CB ' ' C6 ' ' B' ' 309' ' ' ' G' . . . -96.26 28.29 3.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.609 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 33.3 t80 -128.66 -62.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 27.5 p -95.94 -14.01 23.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 108.265 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.1 23.37 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.563 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 47.3 mt-10 -87.1 117.05 25.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 0.6 OUTLIER -74.42 119.93 19.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.41 -59.29 0.5 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.072 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 31.0 p-80 -104.34 159.31 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.744 . . . . 0.0 109.599 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -93.11 163.19 13.73 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.529 ' CB ' ' O6 ' ' B' ' 309' ' ' ' G' . . . -59.62 -36.24 75.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -7.25 22.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.92 27.61 4.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 38.0 t -74.13 131.2 81.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 108.217 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 1.21 8.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.609 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -84.0 -25.54 29.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.356 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -40.95 100.49 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 107.45 2.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.531 1.806 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 58.84 111.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.404 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . 173.28 170.43 36.86 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.404 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -75.04 161.18 95.34 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.015 0.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 136.03 29.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.98 173.84 50.06 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 59.05 5.09 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.443 1.759 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.6 85.24 0.19 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.233 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 79.48 2.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -160.88 64.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.235 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.6 p 43.03 77.24 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.396 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.9 t -177.21 88.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.1 137.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.265 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 117.047 8.275 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 277' ' ' ' G' . . . . . 0.466 " H2'" " O4'" ' B' ' 278' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.812 2 O4'-C4'-C3' 93.17 -8.807 . 0.653 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 278' ' ' ' C' . . . . . 0.466 " O4'" " H2'" ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 117.153 8.392 . 0.307 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 93.332 -8.691 . 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 117.14 8.378 . 0.226 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 281' ' ' ' U' . . . . . 0.405 " H2'" " O4'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.505 -1.86 2 O4'-C4'-C3' 93.085 -8.868 . 0.848 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 282' ' ' AP7 . . . . . 0.419 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . 0.419 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 O4'-C4'-C3' 93.795 -8.361 . 0.344 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . 0.507 ' C2 ' ' N2 ' ' B' ' 298' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 C1'-O4'-C4' 117.254 8.505 . 0.112 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 285' ' ' ' A' . . . . . 0.787 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 117.268 8.52 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 286' ' ' ' G' . . . . . 0.447 " H2'" " O4'" ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.072 2 O4'-C4'-C3' 92.535 -9.261 . 0.803 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 287' ' ' ' U' . . . . . 0.447 " O4'" " H2'" ' B' ' 286' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 O4'-C4'-C3' 93.256 -8.745 . 0.538 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 288' ' ' ' U' . . . . . 0.739 ' C4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 O4'-C4'-C3' 91.596 -9.931 . 0.621 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 289' ' ' ' G' . . . . . 0.739 ' C6 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 C1'-O4'-C4' 117.169 8.41 . 0.453 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 290' ' ' ' A' . . . . . 0.423 " H2'" " C5'" ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 117.009 8.232 . 0.053 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 291' ' ' ' G' . . . . . 0.624 ' C5 ' ' C6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 117.092 8.324 . 0.029 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 292' ' ' ' A' . . . . . 0.624 ' C6 ' ' C5 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.024 2 O4'-C4'-C3' 93.629 -8.479 . 0.283 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 293' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 1 C1'-O4'-C4' 115.809 6.899 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . 0.426 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 117.173 8.414 . 0.584 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 295' ' ' ' C' . . . . . 0.426 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 O4'-C4'-C3' 93.979 -8.23 . 0.269 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 92.268 -9.452 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 297' ' ' ' A' . . . . . 0.787 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 O4'-C4'-C3' 93.42 -8.628 . 0.69 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . 0.507 ' N2 ' ' C2 ' ' B' ' 284' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 92.77 -9.093 . 0.38 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 299' ' ' ' C' . . . . . 0.422 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.893 3 O4'-C4'-C3' 92.177 -9.517 . 0.51 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 300' ' ' ' U' . . . . . 0.533 ' C4 ' ' N4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.785 2 C1'-O4'-C4' 117.481 8.757 . 0.689 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 301' ' ' ' C' . . . . . 0.797 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.985 3 O4'-C4'-C3' 92.733 -9.119 . 0.18 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 302' ' ' ' U' . . . . . 0.797 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 C1'-O4'-C4' 117.293 8.548 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 303' ' ' ' G' . . . . . 0.455 " O4'" " H2'" ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 O4'-C4'-C3' 92.187 -9.509 . 0.472 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 304' ' ' ' U' . . . . . 0.452 ' C6 ' " H2'" ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 94.045 -8.182 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 305' ' ' ' A' . . . . . 0.438 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.047 3 O4'-C4'-C3' 91.904 -9.711 . 0.107 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 306' ' ' ' U' . . . . . 0.535 " O2'" ' OP1' ' B' ' 307' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.007 2 O4'-C4'-C3' 92.62 -9.2 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 307' ' ' ' C' . . . . . 0.535 ' OP1' " O2'" ' B' ' 306' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 92.564 -9.24 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 308' ' ' ' U' . . . . . 0.439 ' O2 ' ' NE ' ' A' ' 17' ' ' ARG . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 O4'-C4'-C3' 93.256 -8.746 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 309' ' ' ' G' . . . . . 0.681 ' C2 ' HD21 ' A' ' 21' ' ' LEU . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 O4'-C4'-C3' 90.106 -10.996 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 310' ' ' ' G' . . . . . 0.495 ' C8 ' " C3'" ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 O4'-C4'-C3' 91.308 -10.137 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 O4'-C4'-C3' 92.453 -9.319 . 0.276 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 312' ' ' ' G' . . . . . 0.53 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.797 2 C1'-O4'-C4' 116.339 7.488 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 313' ' ' ' G' . . . . . 0.53 ' C5 ' ' C6 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.865 2 C1'-O4'-C4' 116.914 8.127 . 0.217 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 314' ' ' ' A' . . . . . 0.657 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.761 7.956 . 0.577 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 315' ' ' ' C' . . . . . 0.657 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.299 -12.803 2 C1'-O4'-C4' 119.578 11.087 . 0.014 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 1 C1'-O4'-C4' 115.646 6.718 . 0.169 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 317' ' ' ' C' . . . . . 0.646 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 117.179 8.421 . 0.298 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 318' ' ' ' G' . . . . . 0.806 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 117.299 8.554 . 0.379 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.497 3.665 2 O4'-C4'-C3' 92.686 -9.153 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 320' ' ' ' G' . . . . . 0.806 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.982 3 C1'-O4'-C4' 114.964 5.96 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 321' ' ' ' G' . . . . . 0.616 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.921 3 O4'-C4'-C3' 92.444 -9.326 . 0.105 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 322' ' ' ' U' . . . . . 0.616 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 92.609 -9.208 . 0.285 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 323' ' ' ' G' . . . . . 0.467 " H3'" H5'' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.48 2.232 2 O4'-C4'-C3' 93.832 -8.334 . 0.054 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 324' ' ' ' G' . . . . . 0.711 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.407 2 C1'-O4'-C4' 116.915 8.127 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 325' ' ' ' A' . . . . . 0.711 ' C6 ' ' C6 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.369 2 C1'-O4'-C4' 117.393 8.659 . 0.564 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 326' ' ' ' A' . . . . . 0.618 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 116.638 7.82 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 327' ' ' ' C' . . . . . 0.415 ' C4 ' ' C6 ' ' B' ' 326' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.808 2 C1'-O4'-C4' 117.15 8.388 . 0.526 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 328' ' ' ' U' . . . . . 0.506 ' N3 ' ' C5 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 116.724 7.915 . 0.777 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 329' ' ' ' G' . . . . . 0.512 ' N1 ' ' N6 ' ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 O4'-C4'-C3' 91.564 -9.955 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 330' ' ' ' U' . . . . . 0.479 ' C5 ' ' C4 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.018 2 C1'-O4'-C4' 116.736 7.929 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 331' ' ' ' G' . . . . . 0.652 ' N2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 C1'-O4'-C4' 117.264 8.516 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 332' ' ' ' A' . . . . . 0.652 ' C2 ' ' N2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 C1'-O4'-C4' 116.818 8.02 . 0.03 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 333' ' ' ' A' . . . . . 0.6 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 C1'-O4'-C4' 116.928 8.142 . 0.2 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 334' ' ' ' G' . . . . . 0.6 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 116.5 7.667 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 335' ' ' ' U' . . . . . 0.653 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 C1'-O4'-C4' 117.266 8.518 . 0.433 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 336' ' ' ' U' . . . . . 0.653 ' C4 ' ' N3 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.177 2 C1'-O4'-C4' 117.148 8.387 . 0.45 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 337' ' ' ' C' . . . . . 0.671 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.062 2 C1'-O4'-C4' 117.172 8.413 . 0.334 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 338' ' ' ' G' . . . . . 0.703 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.043 2 O4'-C4'-C3' 90.271 -10.878 . 0.307 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 339' ' ' ' G' . . . . . 0.703 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 100.483 -10.13 OUTLIER-EPSILON 0.01 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 340' ' ' ' A' . . . . . 0.56 ' N7 ' ' N3 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.481 2.354 3 O4'-C4'-C3' 93.322 -8.698 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 341' ' ' ' A' . . . . . 0.503 ' C5 ' ' C6 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.223 2 C1'-O4'-C4' 117.386 8.651 . 0.248 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 116.702 7.891 . 0.098 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 343' ' ' ' A' . . . . . 0.634 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 C1'-O4'-C4' 117.244 8.493 . 0.657 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 344' ' ' ' C' . . . . . 0.634 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 O4'-C4'-C3' 93.897 -8.288 . 0.548 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 345' ' ' ' C' . . . . . 0.774 ' C4 ' ' C5 ' ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.796 7.996 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 346' ' ' ' C' . . . . . 0.784 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.879 1 O4'-C4'-C3' 90.605 -10.639 . 0.742 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 347' ' ' ' G' . . . . . 0.659 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 94.153 -8.105 . 0.299 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 348' ' ' ' G' . . . . . 0.659 ' C5 ' ' C6 ' ' B' ' 347' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 91.699 -9.858 . 0.07 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 349' ' ' ' C' . . . . . 0.628 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 91.197 -10.217 . 0.042 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 350' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 3 O4'-C4'-C3' 91.258 -10.173 . 0.541 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 117.183 8.425 . 0.356 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 352' ' ' ' C' . . . . . 0.451 ' N4 ' ' O4 ' ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.888 3 O4'-C4'-C3' 92.81 -9.064 . 0.571 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 117.285 8.539 . 0.337 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 354' ' ' ' A' . . . . . 0.492 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 117.16 8.4 . 0.406 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 355' ' ' ' C' . . . . . 0.492 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.014 2 O4'-C4'-C3' 93.719 -8.415 . 0.581 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 356' ' ' ' C' . . . . . 0.437 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 93.788 -8.366 . 0.174 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 357' ' ' ' C' . . . . . 0.467 ' C4 ' ' C5 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.154 7.282 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 358' ' ' ' U' . . . . . 0.467 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.886 3 O4'-C4'-C3' 91.677 -9.874 . 0.099 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 359' ' ' ' G' . . . . . 0.506 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.07 2 O4'-C4'-C3' 92.268 -9.452 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 360' ' ' ' G' . . . . . 0.506 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 O4'-C4'-C3' 94.055 -8.175 . 0.021 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 361' ' ' ' G' . . . . . 0.466 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 O4'-C4'-C3' 93.85 -8.321 . 0.467 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 362' ' ' ' A' . . . . . 0.473 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 C1'-O4'-C4' 117.181 8.423 . 0.489 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 363' ' ' ' G' . . . . . 0.473 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.883 2 C1'-O4'-C4' 117.164 8.405 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 1 C1'-O4'-C4' 103.021 -7.31 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 365' ' ' ' G' . . . . . 0.451 ' N3 ' " H2'" ' B' ' 365' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.008 1 C1'-O4'-C4' 102.538 -7.847 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.932 1 C1'-O4'-C4' 104.076 -6.138 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 116.868 8.076 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 368' ' ' ' C' . . . . . 0.43 ' C4 ' ' N4 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 93.815 -8.346 . 0.506 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 369' ' ' ' C' . . . . . 0.43 ' N4 ' ' C4 ' ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.939 8.154 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 92.659 -9.172 . 0.43 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 116.869 8.077 . 0.107 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 117.09 8.322 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 373' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.043 8.269 . 0.131 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 374' ' ' ' G' . . . . . 0.474 ' C6 ' ' C4 ' ' B' ' 375' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 94.226 -8.053 . 0.319 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 375' ' ' ' U' . . . . . 0.474 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.919 3 O4'-C4'-C3' 93.08 -8.871 . 0.547 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 376' ' ' ' U' . . . . . 0.495 " C3'" ' C8 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 117.192 8.436 . 0.604 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m -154.89 159.72 40.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.522 1.139 . . . . 0.0 110.39 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -156.54 146.62 11.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.44 -33.21 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.23 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -168.24 -59.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.34 -151.2 22.45 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -175.31 167.92 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 0.733 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -132.29 172.02 12.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -178.89 153.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.76 154.16 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER 177.74 165.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.491 ' O ' ' CZ ' ' A' ' 11' ' ' ARG . 10.2 mt-30 -150.74 161.49 42.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.25 -176.04 46.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.75 -169.61 11.69 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 170.65 166.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.75 . . . . 0.0 110.337 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.99 -177.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.44 -63.01 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -100.26 39.76 1.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.85 35.13 14.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 22' ' ' ASP . 0.5 OUTLIER 60.67 40.16 16.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -39.37 97.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.498 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 0.5 OUTLIER -73.49 151.38 41.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -70.15 0.44 6.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.581 1.176 . . . . 0.0 110.243 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -135.42 22.67 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.498 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -121.15 141.1 51.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 47.2 t -72.86 132.38 43.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 108.236 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.745 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -95.41 27.1 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.469 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 17.4 t80 -127.19 -54.91 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 111.048 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 27.4 p -104.24 -21.74 13.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 8.9 mmtt 84.71 24.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.479 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 41.9 mt-10 -88.79 120.84 30.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 118.14 20.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 146.76 -58.58 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.563 1.164 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.43 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 30.6 p-80 -103.35 167.02 10.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.787 . . . . 0.0 109.537 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -102.27 159.19 15.62 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.511 ' CB ' ' O6 ' ' B' ' 309' ' ' ' G' . . . -58.93 -33.02 70.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -9.27 24.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.89 31.16 3.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 37.2 t -72.67 134.02 82.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 108.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.463 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.05 2.98 6.05 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.442 1.759 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -106.0 -20.13 13.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -81.8 126.63 74.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.373 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -74.99 72.86 4.5 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.802 . . . . 0.0 111.02 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.42 86.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' PRO . . . 52.69 171.71 0.03 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.581 1.176 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.411 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.2 Cg_endo -74.99 135.88 42.61 Favored 'Cis proline' 0 C--N 1.359 1.103 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.987 0.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -126.15 103.83 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.32 -178.86 30.02 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.143 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 129.9 12.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.34 94.99 0.52 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.44 ' HA ' ' OP1' ' B' ' 357' ' ' ' C' . 18.2 Cg_endo -75.03 149.2 36.22 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 176.75 76.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.418 ' CG2' H5'' ' B' ' 357' ' ' ' C' . 1.8 t -169.88 116.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.376 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.19 77.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.671 HD22 " O4'" ' B' ' 276' ' ' ' G' . 0.4 OUTLIER -174.86 68.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.636 1.21 . . . . 0.0 109.242 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . 0.671 " O4'" HD22 ' A' ' 55' ' ' LEU . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.723 7.915 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 O4'-C4'-C3' 92.292 -9.434 . 0.711 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.58 -8.514 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 O4'-C4'-C3' 93.567 -8.524 . 0.493 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.034 2 C1'-O4'-C4' 117.169 8.41 . 0.183 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 281' ' ' ' U' . . . . . 0.446 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -2.037 2 O4'-C4'-C3' 93.46 -8.6 . 0.208 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 282' ' ' AP7 . . . . . 0.446 ' N6 ' ' O4 ' ' B' ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . 0.42 " O4'" " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 117.281 8.534 . 0.334 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 117.29 8.545 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 285' ' ' ' A' . . . . . 0.746 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 116.979 8.199 . 0.279 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 286' ' ' ' G' . . . . . 0.407 " H2'" " O4'" ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.877 2 O4'-C4'-C3' 92.639 -9.186 . 0.882 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 287' ' ' ' U' . . . . . 0.529 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 O4'-C4'-C3' 92.57 -9.236 . 0.831 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 288' ' ' ' U' . . . . . 0.529 ' C4 ' ' C4 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 92.832 -9.048 . 0.801 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 289' ' ' ' G' . . . . . 0.485 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 92.423 -9.341 . 0.456 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 290' ' ' ' A' . . . . . 0.638 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 115.814 6.904 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 291' ' ' ' G' . . . . . 0.657 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 117.278 8.531 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 292' ' ' ' A' . . . . . 0.657 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 O4'-C4'-C3' 92.108 -9.566 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 293' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 117.208 8.454 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.819 2 C1'-O4'-C4' 117.09 8.323 . 0.328 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 295' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.858 2 O4'-C4'-C3' 93.807 -8.352 . 0.372 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 92.489 -9.294 . 0.65 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 297' ' ' ' A' . . . . . 0.746 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 92.837 -9.045 . 0.689 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . 0.404 " H2'" " O4'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.916 3 O4'-C4'-C3' 92.185 -9.511 . 0.292 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 299' ' ' ' C' . . . . . 0.621 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.911 3 O4'-C4'-C3' 92.155 -9.532 . 0.432 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 300' ' ' ' U' . . . . . 0.621 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.821 2 C1'-O4'-C4' 117.461 8.734 . 0.66 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 301' ' ' ' C' . . . . . 0.815 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.824 3 O4'-C4'-C3' 92.122 -9.555 . 0.168 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 302' ' ' ' U' . . . . . 0.815 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 117.143 8.381 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 303' ' ' ' G' . . . . . 0.503 ' C5 ' ' C5 ' ' B' ' 304' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.148 2 O4'-C4'-C3' 92.201 -9.499 . 0.305 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 304' ' ' ' U' . . . . . 0.503 ' C5 ' ' C5 ' ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.924 1 C1'-O4'-C4' 115.72 6.8 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 305' ' ' ' A' . . . . . 0.401 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 92.826 -9.053 . 0.01 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 306' ' ' ' U' . . . . . 0.482 " O2'" ' OP1' ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 92.486 -9.296 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 307' ' ' ' C' . . . . . 0.482 ' OP1' " O2'" ' B' ' 306' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 93.361 -8.671 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 308' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 O4'-C4'-C3' 92.194 -9.504 . 0.071 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 309' ' ' ' G' . . . . . 0.511 ' O6 ' ' CB ' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 90.495 -10.718 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 310' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 91.356 -10.103 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 93.111 -8.849 . 0.349 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 312' ' ' ' G' . . . . . 0.502 ' C2 ' ' C4 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 C1'-O4'-C4' 116.348 7.498 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 313' ' ' ' G' . . . . . 0.52 ' N1 ' ' C6 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.06 2 C1'-O4'-C4' 117.126 8.363 . 0.184 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 314' ' ' ' A' . . . . . 0.627 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 C1'-O4'-C4' 116.863 8.07 . 0.397 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 315' ' ' ' C' . . . . . 0.627 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.296 -13.044 2 C1'-O4'-C4' 119.646 11.162 . 0.021 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 115.991 7.101 . 0.225 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 317' ' ' ' C' . . . . . 0.649 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 116.881 8.09 . 0.442 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 318' ' ' ' G' . . . . . 0.816 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 C1'-O4'-C4' 117.28 8.533 . 0.553 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.491 3.178 2 O4'-C4'-C3' 92.155 -9.532 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 320' ' ' ' G' . . . . . 0.816 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 C1'-O4'-C4' 115.194 6.216 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 321' ' ' ' G' . . . . . 0.698 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.052 3 O4'-C4'-C3' 91.939 -9.687 . 0.124 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 322' ' ' ' U' . . . . . 0.698 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 O4'-C4'-C3' 90.765 -10.525 . 0.479 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 323' ' ' ' G' . . . . . 0.485 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 116.634 7.816 . 0.342 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 324' ' ' ' G' . . . . . 0.722 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.94 0 C1'-O4'-C4' 112.926 3.696 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 325' ' ' ' A' . . . . . 0.722 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.219 2 C1'-O4'-C4' 117.442 8.713 . 0.038 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 326' ' ' ' A' . . . . . 0.653 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 C1'-O4'-C4' 116.556 7.729 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.92 8.134 . 0.529 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 328' ' ' ' U' . . . . . 0.62 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 93.525 -8.553 . 0.874 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 329' ' ' ' G' . . . . . 0.62 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 O4'-C4'-C3' 92.753 -9.105 . 0.203 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 330' ' ' ' U' . . . . . 0.438 H5'' " H3'" ' B' ' 329' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.303 -12.504 3 C1'-O4'-C4' 119.183 10.648 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B ' 331' ' ' ' G' . . . . . 0.607 ' OP2' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.883 2 O4'-C4'-C3' 93.991 -8.221 . 0.299 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 332' ' ' ' A' . . . . . 0.465 ' C8 ' " H2'" ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 94.089 -8.151 . 0.221 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 333' ' ' ' A' . . . . . 0.503 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.741 7.935 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 334' ' ' ' G' . . . . . 0.503 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 C1'-O4'-C4' 116.386 7.54 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 335' ' ' ' U' . . . . . 0.607 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 C1'-O4'-C4' 117.21 8.455 . 0.628 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 336' ' ' ' U' . . . . . 0.607 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.934 3 C1'-O4'-C4' 117.051 8.278 . 0.328 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 337' ' ' ' C' . . . . . 0.614 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 O4'-C4'-C3' 91.188 -10.223 . 0.54 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 338' ' ' ' G' . . . . . 0.825 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.095 2 O4'-C4'-C3' 90.296 -10.86 . 0.335 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 339' ' ' ' G' . . . . . 0.825 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 99.267 -11.481 OUTLIER-EPSILON 0.067 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 340' ' ' ' A' . . . . . 0.808 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.48 2.216 2 O4'-C4'-C3' 92.238 -9.473 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 341' ' ' ' A' . . . . . 0.808 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.033 2 C1'-O4'-C4' 117.308 8.565 . 0.568 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.033 2 C1'-O4'-C4' 116.759 7.955 . 0.169 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 343' ' ' ' A' . . . . . 0.586 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.835 2 C1'-O4'-C4' 116.848 8.053 . 0.683 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 344' ' ' ' C' . . . . . 0.586 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 93.431 -8.621 . 0.55 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 345' ' ' ' C' . . . . . 0.71 ' C4 ' ' C5 ' ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 O4'-C4'-C3' 92.962 -8.956 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 346' ' ' ' C' . . . . . 0.77 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.996 1 O4'-C4'-C3' 91.098 -10.287 . 0.69 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 347' ' ' ' G' . . . . . 0.647 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 O4'-C4'-C3' 93.562 -8.527 . 0.253 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 348' ' ' ' G' . . . . . 0.649 ' N2 ' ' C2 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 O4'-C4'-C3' 92.768 -9.094 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 349' ' ' ' C' . . . . . 0.621 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.073 2 O4'-C4'-C3' 91.032 -10.335 . 0.057 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 350' ' ' ' C' . . . . . 0.419 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.946 3 O4'-C4'-C3' 91.699 -9.858 . 0.451 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 C1'-O4'-C4' 117.183 8.426 . 0.379 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 O4'-C4'-C3' 93.502 -8.57 . 0.539 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 353' ' ' ' A' . . . . . 0.462 " H2'" " O4'" ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 117.316 8.573 . 0.34 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 354' ' ' ' A' . . . . . 0.496 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.926 8.14 . 0.639 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 355' ' ' ' C' . . . . . 0.496 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 93.321 -8.699 . 0.592 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 356' ' ' ' C' . . . . . 0.469 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 92.11 -9.565 . 0.08 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 357' ' ' ' C' . . . . . 0.469 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 116.121 7.246 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 358' ' ' ' U' . . . . . 0.465 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 O4'-C4'-C3' 93.658 -8.459 . 0.219 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 359' ' ' ' G' . . . . . 0.498 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 O4'-C4'-C3' 93.11 -8.85 . 0.409 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 360' ' ' ' G' . . . . . 0.498 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 93.544 -8.54 . 0.297 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 361' ' ' ' G' . . . . . 0.479 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 93.821 -8.342 . 0.355 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 362' ' ' ' A' . . . . . 0.507 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 117.042 8.269 . 0.538 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 363' ' ' ' G' . . . . . 0.507 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.365 2 C1'-O4'-C4' 117.088 8.32 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.023 1 C1'-O4'-C4' 104.686 -5.459 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 365' ' ' ' G' . . . . . 0.455 ' N3 ' " C2'" ' B' ' 365' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.087 2 C1'-O4'-C4' 116.188 7.32 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 0 C3'-C2'-O2' 102.723 -3.647 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 C1'-O4'-C4' 117.034 8.26 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 368' ' ' ' C' . . . . . 0.41 ' C4 ' ' N4 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 117.127 8.363 . 0.55 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 369' ' ' ' C' . . . . . 0.41 ' N4 ' ' C4 ' ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.858 2 C1'-O4'-C4' 116.927 8.142 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.018 2 O4'-C4'-C3' 92.68 -9.157 . 0.445 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 116.905 8.117 . 0.281 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.04 2 C1'-O4'-C4' 117.033 8.259 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 373' ' ' ' G' . . . . . 0.479 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 117.165 8.406 . 0.031 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 374' ' ' ' G' . . . . . 0.631 ' C6 ' ' C4 ' ' B' ' 375' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 C1'-O4'-C4' 116.988 8.209 . 0.181 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 375' ' ' ' U' . . . . . 0.631 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 O4'-C4'-C3' 92.247 -9.466 . 0.746 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.691 -9.149 . 0.403 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.3 m -148.99 160.13 43.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 3' ' ' VAL . 22.3 m -42.94 112.31 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 77.1 t -88.72 150.75 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m -102.18 -174.85 2.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.573 1.171 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.61 106.04 1.86 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.7 98.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.42 177.4 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -142.97 151.37 40.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -123.9 124.33 42.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.251 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -115.35 150.59 36.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.14 83.39 1.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.83 152.5 20.75 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.6 141.13 12.3 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -142.81 153.86 43.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 110.279 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 63.82 170.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -67.45 89.21 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.258 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.54 ' C ' ' H ' ' A' ' 20' ' ' GLN . 8.3 mtt85 40.3 43.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 20' ' ' GLN . 0.6 OUTLIER 67.62 -45.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.038 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.54 ' H ' ' C ' ' A' ' 18' ' ' ARG . 3.2 mm-40 160.22 34.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.358 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.785 HD11 ' HB2' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -43.45 103.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.497 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.2 OUTLIER -77.08 149.2 35.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -64.28 -9.86 20.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.15 30.47 5.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.409 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -118.79 176.25 5.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 48.8 t -111.13 131.03 55.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 108.289 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.785 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -93.69 23.66 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 8.0 t80 -123.48 -64.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.808 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 26.3 p -97.01 -14.01 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 89.29 -21.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.808 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -47.19 154.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -110.94 142.68 42.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.64 -43.78 1.31 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.12 . . . . 0.0 110.978 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 29.0 p-80 -117.85 172.94 7.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.767 . . . . 0.0 109.594 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -106.03 162.82 13.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 108.012 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.489 ' HB1' " H1'" ' B' ' 307' ' ' ' C' . . . -58.24 -40.19 81.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -9.36 47.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.96 17.3 8.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.553 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 34.0 t -67.77 133.7 92.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.361 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.456 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.01 1.33 7.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.538 1.81 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -85.72 -23.7 27.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.231 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.454 ' NZ ' ' C2 ' ' B' ' 307' ' ' ' C' . 1.2 mmtt -47.43 104.87 0.43 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -178.04 3.87 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.94 120.75 21.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.58 178.72 34.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.59 1.181 . . . . 0.0 111.031 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 158.14 99.19 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.972 -0.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -173.81 111.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.71 89.25 2.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 148.38 34.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.449 1.762 . . . . 0.0 110.951 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -93.45 120.32 66.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.255 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 170.15 21.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -75.61 162.42 28.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 53' ' ' THR . 9.2 t -150.58 69.06 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.394 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.7 p -159.51 140.09 12.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.42 96.57 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 tp . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.994 8.216 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.847 2 O4'-C4'-C3' 93.077 -8.874 . 0.871 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 O4'-C4'-C3' 93.452 -8.605 . 0.44 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . 0.407 ' C6 ' ' C6 ' ' B' ' 280' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.853 2 O4'-C4'-C3' 92.175 -9.518 . 0.629 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 280' ' ' ' G' . . . . . 0.407 ' C6 ' ' C6 ' ' B' ' 279' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 117.262 8.513 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 281' ' ' ' U' . . . . . 0.452 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 O4'-C4'-C3' 93.154 -8.818 . 0.248 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 282' ' ' AP7 . . . . . 0.48 ' C2 ' ' O2 ' ' B' ' 300' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . 0.447 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.976 8.196 . 0.384 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . 0.4 ' C2 ' ' N2 ' ' B' ' 298' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 117.257 8.507 . 0.604 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 285' ' ' ' A' . . . . . 0.797 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 C1'-O4'-C4' 117.231 8.479 . 0.073 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 286' ' ' ' G' . . . . . 0.467 " H2'" " O4'" ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 O4'-C4'-C3' 92.979 -8.944 . 0.787 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 287' ' ' ' U' . . . . . 0.558 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 O4'-C4'-C3' 93.802 -8.356 . 0.512 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 288' ' ' ' U' . . . . . 0.597 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.037 2 O4'-C4'-C3' 93.15 -8.822 . 0.706 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 289' ' ' ' G' . . . . . 0.597 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.056 2 O4'-C4'-C3' 93.677 -8.445 . 0.335 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 290' ' ' ' A' . . . . . 0.649 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 116.041 7.157 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 291' ' ' ' G' . . . . . 0.726 ' C5 ' ' C6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 C1'-O4'-C4' 116.885 8.095 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 292' ' ' ' A' . . . . . 0.726 ' C6 ' ' C5 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 C1'-O4'-C4' 117.1 8.333 . 0.295 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 293' ' ' ' A' . . . . . 0.498 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 117.149 8.387 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . 0.456 ' C4 ' ' C2 ' ' B' ' 293' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 117.023 8.248 . 0.555 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 295' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 94.04 -8.185 . 0.323 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 O4'-C4'-C3' 92.39 -9.365 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 297' ' ' ' A' . . . . . 0.797 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.067 2 O4'-C4'-C3' 92.888 -9.008 . 0.695 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . 0.4 ' N2 ' ' C2 ' ' B' ' 284' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.887 3 O4'-C4'-C3' 92.501 -9.285 . 0.263 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 299' ' ' ' C' . . . . . 0.66 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.001 3 O4'-C4'-C3' 91.786 -9.796 . 0.243 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 300' ' ' ' U' . . . . . 0.66 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.694 2 C1'-O4'-C4' 117.466 8.74 . 0.703 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 301' ' ' ' C' . . . . . 0.808 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.955 3 O4'-C4'-C3' 91.525 -9.982 . 0.214 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 302' ' ' ' U' . . . . . 0.808 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 O4'-C4'-C3' 93.618 -8.487 . 0.447 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 303' ' ' ' G' . . . . . 0.583 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 O4'-C4'-C3' 91.861 -9.742 . 0.348 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 304' ' ' ' U' . . . . . 0.526 " O2'" ' OP1' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 92.863 -9.027 OUTLIER-EPSILON 0.081 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 305' ' ' ' A' . . . . . 0.526 ' OP1' " O2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.027 1 O4'-C4'-C3' 91.036 -10.331 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 306' ' ' ' U' . . . . . 0.505 ' C2 ' ' HA ' ' A' ' 29' ' ' CYS . . . . . . . . 0 C3'--C2' 1.504 -1.953 1 O4'-C4'-C3' 91.338 -10.116 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 307' ' ' ' C' . . . . . 0.489 " H1'" ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 117.254 8.504 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 308' ' ' ' U' . . . . . 0.522 " H2'" ' HG2' ' A' ' 18' ' ' ARG . . . . . . . . 0 C3'--C2' 1.503 -1.975 1 O4'-C4'-C3' 91.244 -10.183 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 309' ' ' ' G' . . . . . 0.497 ' N2 ' ' O ' ' A' ' 22' ' ' ASP . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 91.58 -9.943 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 310' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 91.909 -9.708 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 92.932 -8.977 . 0.264 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 312' ' ' ' G' . . . . . 0.514 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.803 2 C1'-O4'-C4' 116.317 7.463 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 313' ' ' ' G' . . . . . 0.514 ' C5 ' ' C6 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 117.125 8.361 . 0.241 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 314' ' ' ' A' . . . . . 0.519 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.08 8.311 . 0.733 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 315' ' ' ' C' . . . . . 0.519 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.305 -12.326 2 C1'-O4'-C4' 119.463 10.959 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' B' B ' 316' ' ' ' C' . . . . . 0.497 ' N4 ' ' N4 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.863 3 C1'-O4'-C4' 116.481 7.646 . 0.018 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 317' ' ' ' C' . . . . . 0.497 ' N4 ' ' N4 ' ' B' ' 316' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 117.192 8.436 . 0.367 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 318' ' ' ' G' . . . . . 0.806 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 C1'-O4'-C4' 117.256 8.507 . 0.55 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.493 3.318 2 O4'-C4'-C3' 91.805 -9.782 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 320' ' ' ' G' . . . . . 0.806 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.015 3 C1'-O4'-C4' 115.083 6.092 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 321' ' ' ' G' . . . . . 0.65 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.907 3 O4'-C4'-C3' 92.309 -9.422 . 0.024 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 322' ' ' ' U' . . . . . 0.65 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.007 3 O4'-C4'-C3' 91.513 -9.99 . 0.476 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 323' ' ' ' G' . . . . . 0.532 ' C6 ' ' C2 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.055 2 C1'-O4'-C4' 116.624 7.805 . 0.28 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 324' ' ' ' G' . . . . . 0.659 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.952 0 C1'-O4'-C4' 113.148 3.943 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 325' ' ' ' A' . . . . . 0.659 ' C6 ' ' C6 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.554 2 C1'-O4'-C4' 117.038 8.264 . 0.037 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 326' ' ' ' A' . . . . . 0.603 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.556 7.729 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 116.687 7.874 . 0.656 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 328' ' ' ' U' . . . . . 0.636 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 117.438 8.709 . 0.865 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 329' ' ' ' G' . . . . . 0.636 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.027 3 O4'-C4'-C3' 91.577 -9.945 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 1 O4'-C4'-C3' 90.425 -10.768 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 331' ' ' ' G' . . . . . 0.611 ' C2 ' ' N1 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 O4'-C4'-C3' 93.313 -8.705 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 332' ' ' ' A' . . . . . 0.611 ' N1 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.873 2 C1'-O4'-C4' 116.97 8.188 . 0.178 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 333' ' ' ' A' . . . . . 0.557 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 117.084 8.315 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 334' ' ' ' G' . . . . . 0.557 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 116.767 7.964 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 335' ' ' ' U' . . . . . 0.649 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.871 2 C1'-O4'-C4' 117.182 8.424 . 0.416 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 336' ' ' ' U' . . . . . 0.649 ' C4 ' ' N3 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.128 2 C1'-O4'-C4' 117.433 8.703 . 0.43 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 337' ' ' ' C' . . . . . 0.678 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.768 7.965 . 0.023 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 338' ' ' ' G' . . . . . 0.678 ' N7 ' ' C4 ' ' B' ' 337' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 O4'-C4'-C3' 90.321 -10.842 . 0.353 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 339' ' ' ' G' . . . . . 0.632 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 C1'-O4'-C4' 99.964 -10.706 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 340' ' ' ' A' . . . . . 0.527 ' N7 ' ' N3 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.032 3 O4'-C4'-C3' 92.244 -9.468 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 341' ' ' ' A' . . . . . 0.483 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.919 2 C1'-O4'-C4' 117.466 8.74 . 0.662 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 116.484 7.649 . 0.657 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 343' ' ' ' A' . . . . . 0.533 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 117.158 8.398 . 0.765 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 344' ' ' ' C' . . . . . 0.533 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 93.368 -8.666 . 0.535 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 345' ' ' ' C' . . . . . 0.55 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 92.991 -8.935 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 346' ' ' ' C' . . . . . 0.595 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 O4'-C4'-C3' 91.271 -10.163 . 0.905 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 347' ' ' ' G' . . . . . 0.614 ' C6 ' ' C6 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 O4'-C4'-C3' 93.865 -8.311 . 0.288 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 348' ' ' ' G' . . . . . 0.654 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 O4'-C4'-C3' 92.734 -9.118 . 0.366 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 349' ' ' ' C' . . . . . 0.654 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.965 3 O4'-C4'-C3' 91.404 -10.069 . 0.019 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 350' ' ' ' C' . . . . . 0.455 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.833 3 O4'-C4'-C3' 91.608 -9.923 . 0.173 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.051 2 C1'-O4'-C4' 117.03 8.255 . 0.445 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 93.003 -8.927 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 353' ' ' ' A' . . . . . 0.452 " H2'" " O4'" ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 O4'-C4'-C3' 93.873 -8.305 . 0.48 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 354' ' ' ' A' . . . . . 0.494 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 O4'-C4'-C3' 94.023 -8.198 . 0.44 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 355' ' ' ' C' . . . . . 0.494 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 93.2 -8.786 . 0.563 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 356' ' ' ' C' . . . . . 0.45 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 93.371 -8.663 . 0.134 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 357' ' ' ' C' . . . . . 0.483 ' C4 ' ' C5 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.932 2 C1'-O4'-C4' 116.164 7.294 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 358' ' ' ' U' . . . . . 0.483 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 O4'-C4'-C3' 92.705 -9.139 . 0.223 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 359' ' ' ' G' . . . . . 0.496 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 92.914 -8.99 . 0.086 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 360' ' ' ' G' . . . . . 0.496 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 C1'-O4'-C4' 116.774 7.971 . 0.322 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 361' ' ' ' G' . . . . . 0.464 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 117.125 8.361 . 0.483 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 362' ' ' ' A' . . . . . 0.477 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 117.226 8.473 . 0.474 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 363' ' ' ' G' . . . . . 0.477 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 117.215 8.461 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 364' ' ' ' A' . . . . . 0.465 ' OP1' " H4'" ' B' ' 364' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 116.733 7.925 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 0 C3'-C2'-O2' 102.677 -3.663 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 91.48 -10.015 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 117.25 8.5 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 368' ' ' ' C' . . . . . 0.419 ' C4 ' ' N4 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.021 2 O4'-C4'-C3' 93.803 -8.355 . 0.474 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 369' ' ' ' C' . . . . . 0.419 ' N4 ' ' C4 ' ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 116.905 8.116 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 92.479 -9.301 . 0.208 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.822 8.025 . 0.041 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.041 2 C1'-O4'-C4' 116.909 8.121 . 0.675 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 373' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 C1'-O4'-C4' 116.943 8.159 . 0.09 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 374' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 3 O4'-C4'-C3' 93.88 -8.3 . 0.555 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 O4'-C4'-C3' 93.254 -8.747 . 0.445 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 376' ' ' ' U' . . . . . 0.468 " H5'" " C5'" ' B' ' 308' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 116.875 8.083 . 0.441 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.0 p -63.25 126.83 28.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.351 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -136.8 142.2 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 70.0 t -111.01 108.28 25.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.366 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t -72.06 162.87 28.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.71 -117.26 6.46 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.67 161.94 28.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.66 -47.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -176.43 151.85 1.02 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -65.2 161.66 18.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.03 154.19 35.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.5 pm0 -85.55 162.09 19.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.04 -123.98 2.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.24 61.45 0.85 Allowed Glycine 0 CA--C 1.531 1.069 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.26 168.45 23.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.803 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -53.95 167.23 0.29 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 110.248 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 57.53 174.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.587 ' O ' ' C ' ' A' ' 19' ' ' SER . 1.6 ptp85 -71.76 55.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.407 1.067 . . . . 0.0 110.363 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.587 ' C ' ' O ' ' A' ' 18' ' ' ARG . 32.4 t -22.0 -77.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 22' ' ' ASP . 2.0 tt0 -127.98 30.56 5.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.653 HD21 ' C2 ' ' B' ' 309' ' ' ' G' . 0.0 OUTLIER -40.57 95.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.353 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 20' ' ' GLN . 0.4 OUTLIER -68.92 156.59 38.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -8.37 19.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -129.43 27.25 5.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.472 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 2.0 tt0 -119.67 130.82 55.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.215 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 41.8 t -63.24 138.22 58.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 108.314 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.48 ' O ' " H4'" ' B' ' 307' ' ' ' C' . . . -98.9 25.34 6.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.594 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 1.9 t80 -125.6 -65.28 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.566 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 28.2 p -94.93 -15.28 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 108.261 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 78.69 22.98 0.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.566 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 47.7 mt-10 -89.01 122.78 32.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.333 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -78.61 127.35 32.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.77 -54.12 0.67 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.592 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 31.6 p-80 -108.41 162.05 14.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.644 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -94.8 163.71 13.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.626 ' HB2' ' O6 ' ' B' ' 309' ' ' ' G' . . . -58.85 -38.25 78.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -68.58 -7.12 29.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -128.36 24.12 5.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.173 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.592 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 39.1 t -73.67 130.72 83.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 1.44 7.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.441 1.758 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.594 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 3.2 ttmt -90.67 -23.89 20.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.571 ' HD2' ' C2 ' ' B' ' 307' ' ' ' C' . 13.6 mtpp -61.98 111.2 4.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -62.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 173.4 53.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.16 176.6 0.85 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.524 1.14 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -58.27 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.99 -0.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.6 tpt85 64.05 120.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.2 152.53 0.39 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -178.55 4.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.47 151.13 95.66 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.324 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -172.4 1.25 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.535 1.808 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.01 158.73 16.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.7 p -61.41 171.81 1.33 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.4 t -152.12 127.46 9.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -81.83 148.73 28.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.396 1.06 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . 0.499 ' C6 ' ' N7 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 116.798 7.997 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 277' ' ' ' G' . . . . . 0.499 ' N7 ' ' C6 ' ' B' ' 276' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 O4'-C4'-C3' 92.3 -9.428 . 0.66 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 117.139 8.376 . 0.22 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . 0.504 ' C6 ' ' N1 ' ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 92.151 -9.535 . 0.61 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 117.281 8.534 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 281' ' ' ' U' . . . . . 0.446 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 O4'-C4'-C3' 92.978 -8.944 . 0.198 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 282' ' ' AP7 . . . . . 0.446 ' N6 ' ' O4 ' ' B' ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . 0.41 " O4'" " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 117.055 8.284 . 0.369 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . 0.473 ' C2 ' ' N2 ' ' B' ' 298' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 117.223 8.47 . 0.277 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 285' ' ' ' A' . . . . . 0.764 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 117.151 8.39 . 0.121 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 93.453 -8.605 . 0.718 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 287' ' ' ' U' . . . . . 0.528 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.033 2 O4'-C4'-C3' 92.211 -9.492 . 0.632 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 288' ' ' ' U' . . . . . 0.528 ' C4 ' ' C4 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 O4'-C4'-C3' 91.964 -9.669 . 0.844 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 289' ' ' ' G' . . . . . 0.508 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 91.819 -9.772 . 0.434 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 290' ' ' ' A' . . . . . 0.627 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 115.968 7.076 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 291' ' ' ' G' . . . . . 0.648 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.074 2 C1'-O4'-C4' 117.214 8.46 . 0.018 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 292' ' ' ' A' . . . . . 0.648 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 92.344 -9.397 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 293' ' ' ' A' . . . . . 0.457 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 C1'-O4'-C4' 117.191 8.435 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . 0.43 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.877 2 C1'-O4'-C4' 117.089 8.321 . 0.284 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 295' ' ' ' C' . . . . . 0.43 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 93.394 -8.647 . 0.399 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 116.875 8.084 . 0.722 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 297' ' ' ' A' . . . . . 0.764 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.869 2 O4'-C4'-C3' 93.068 -8.88 . 0.616 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . 0.473 ' N2 ' ' C2 ' ' B' ' 284' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 92.937 -8.973 . 0.673 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 299' ' ' ' C' . . . . . 0.646 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.973 3 O4'-C4'-C3' 92.027 -9.624 . 0.465 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 300' ' ' ' U' . . . . . 0.646 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.776 2 C1'-O4'-C4' 117.451 8.724 . 0.469 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 301' ' ' ' C' . . . . . 0.807 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.949 3 O4'-C4'-C3' 91.25 -10.179 . 0.246 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 302' ' ' ' U' . . . . . 0.807 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.86 2 O4'-C4'-C3' 93.305 -8.71 . 0.448 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 303' ' ' ' G' . . . . . 0.647 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.894 1 O4'-C4'-C3' 90.657 -10.602 . 0.294 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 304' ' ' ' U' . . . . . 0.458 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 92.107 -9.566 . 0.267 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 305' ' ' ' A' . . . . . 0.458 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.932 1 O4'-C4'-C3' 90.955 -10.389 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 306' ' ' ' U' . . . . . 0.571 ' C2 ' ' O ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C3'--C2' 1.503 -1.957 1 O4'-C4'-C3' 90.947 -10.395 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 307' ' ' ' C' . . . . . 0.571 ' C2 ' ' HD2' ' A' ' 42' ' ' LYS . . . . . . . . 0 C3'--C2' 1.503 -2.016 3 C1'-O4'-C4' 116.87 8.078 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 308' ' ' ' U' . . . . . 0.438 ' C4 ' ' HA ' ' A' ' 18' ' ' ARG . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 91.749 -9.822 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 309' ' ' ' G' . . . . . 0.653 ' C2 ' HD21 ' A' ' 21' ' ' LEU . . . . . . . . 0 C3'--C2' 1.503 -2.029 3 O4'-C4'-C3' 93.452 -8.605 . 0.01 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 310' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.002 2 O4'-C4'-C3' 92.123 -9.555 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 O4'-C4'-C3' 92.768 -9.095 . 0.307 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 312' ' ' ' G' . . . . . 0.473 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 116.152 7.28 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 313' ' ' ' G' . . . . . 0.608 ' C2 ' ' N3 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.12 2 C1'-O4'-C4' 117.344 8.604 . 0.233 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 314' ' ' ' A' . . . . . 0.651 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 117.009 8.232 . 0.651 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 315' ' ' ' C' . . . . . 0.651 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.307 -12.183 2 C1'-O4'-C4' 119.481 10.979 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' B' B ' 316' ' ' ' C' . . . . . 0.494 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 O4'-C4'-C3' 93.153 -8.82 . 0.221 4g . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 317' ' ' ' C' . . . . . 0.494 ' C6 ' " H2'" ' B' ' 316' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 O4'-C4'-C3' 94.091 -8.15 . 0.405 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 318' ' ' ' G' . . . . . 0.786 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 117.206 8.451 . 0.36 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.494 3.418 2 O4'-C4'-C3' 92.476 -9.303 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 320' ' ' ' G' . . . . . 0.786 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.011 1 C1'-O4'-C4' 114.754 5.726 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 321' ' ' ' G' . . . . . 0.662 ' C4 ' ' N2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.0 3 O4'-C4'-C3' 92.128 -9.551 . 0.053 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 322' ' ' ' U' . . . . . 0.491 ' C4 ' ' C5 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.946 3 O4'-C4'-C3' 91.887 -9.724 . 0.64 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 323' ' ' ' G' . . . . . 0.428 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 116.656 7.839 . 0.348 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 324' ' ' ' G' . . . . . 0.705 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.939 0 C3'-C2'-O2' 102.709 -3.652 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 325' ' ' ' A' . . . . . 0.705 ' C6 ' ' C6 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.901 2 C1'-O4'-C4' 116.723 7.914 . 0.085 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 326' ' ' ' A' . . . . . 0.65 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.849 2 C1'-O4'-C4' 116.569 7.744 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 116.77 7.966 . 0.573 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 328' ' ' ' U' . . . . . 0.655 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.035 2 C1'-O4'-C4' 117.363 8.625 . 0.859 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 329' ' ' ' G' . . . . . 0.655 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 O4'-C4'-C3' 91.387 -10.081 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.382 2 C1'-O4'-C4' 117.492 8.769 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 331' ' ' ' G' . . . . . 0.677 ' C2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.141 2 C1'-O4'-C4' 117.382 8.646 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 332' ' ' ' A' . . . . . 0.677 ' C2 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 117.213 8.459 . 0.191 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 333' ' ' ' A' . . . . . 0.576 ' C8 ' ' C8 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.452 7.613 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 334' ' ' ' G' . . . . . 0.506 " O5'" " C2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.831 2 C1'-O4'-C4' 116.358 7.509 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 335' ' ' ' U' . . . . . 0.662 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 117.356 8.618 . 0.569 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 336' ' ' ' U' . . . . . 0.662 ' C4 ' ' N3 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.868 2 C1'-O4'-C4' 117.063 8.292 . 0.426 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 337' ' ' ' C' . . . . . 0.697 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 117.314 8.571 . 0.253 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 338' ' ' ' G' . . . . . 0.697 ' N7 ' ' C4 ' ' B' ' 337' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 90.373 -10.805 . 0.343 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 339' ' ' ' G' . . . . . 0.644 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 100.422 -10.198 OUTLIER-EPSILON 0.023 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 340' ' ' ' A' . . . . . 0.572 ' N1 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.482 2.377 2 O4'-C4'-C3' 93.013 -8.92 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 341' ' ' ' A' . . . . . 0.572 ' C4 ' ' N1 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.152 2 C1'-O4'-C4' 117.463 8.737 . 0.589 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 116.875 8.084 . 0.364 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 343' ' ' ' A' . . . . . 0.542 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 C1'-O4'-C4' 117.201 8.445 . 0.63 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 344' ' ' ' C' . . . . . 0.542 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 116.803 8.003 . 0.638 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 345' ' ' ' C' . . . . . 0.569 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.131 8.368 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 346' ' ' ' C' . . . . . 0.571 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 90.561 -10.671 . 0.607 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 347' ' ' ' G' . . . . . 0.577 ' C6 ' ' C6 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 92.862 -9.027 . 0.435 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 348' ' ' ' G' . . . . . 0.659 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.84 2 O4'-C4'-C3' 92.015 -9.632 . 0.01 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 349' ' ' ' C' . . . . . 0.659 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 O4'-C4'-C3' 91.092 -10.291 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 350' ' ' ' C' . . . . . 0.446 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 91.482 -10.013 . 0.092 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.858 2 C1'-O4'-C4' 117.223 8.47 . 0.375 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 3 O4'-C4'-C3' 92.082 -9.585 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 353' ' ' ' A' . . . . . 0.504 " H2'" " O4'" ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 O4'-C4'-C3' 94.13 -8.121 . 0.569 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 354' ' ' ' A' . . . . . 0.504 " O4'" " H2'" ' B' ' 353' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 O4'-C4'-C3' 93.491 -8.578 . 0.797 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 355' ' ' ' C' . . . . . 0.472 " H2'" ' C6 ' ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 O4'-C4'-C3' 93.59 -8.507 . 0.496 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 356' ' ' ' C' . . . . . 0.472 ' C6 ' " H2'" ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 93.66 -8.457 . 0.638 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 357' ' ' ' C' . . . . . 0.46 ' C4 ' ' C5 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 115.993 7.103 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 358' ' ' ' U' . . . . . 0.46 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.051 3 O4'-C4'-C3' 91.728 -9.837 . 0.096 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 359' ' ' ' G' . . . . . 0.518 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 92.024 -9.625 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 360' ' ' ' G' . . . . . 0.518 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 116.913 8.126 . 0.056 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 361' ' ' ' G' . . . . . 0.508 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.038 2 O4'-C4'-C3' 93.283 -8.726 . 0.304 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 362' ' ' ' A' . . . . . 0.508 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.859 2 C1'-O4'-C4' 117.106 8.34 . 0.14 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 363' ' ' ' G' . . . . . 0.472 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 117.183 8.425 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 1 C1'-O4'-C4' 104.366 -5.816 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 O4'-C4'-C3' 91.42 -10.057 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 C1'-O4'-C4' 115.808 6.897 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 117.291 8.546 . 0.31 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 368' ' ' ' C' . . . . . 0.419 " H2'" ' C6 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 O4'-C4'-C3' 92.02 -9.629 . 0.169 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 369' ' ' ' C' . . . . . 0.419 ' C6 ' " H2'" ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 O4'-C4'-C3' 93.467 -8.595 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 92.384 -9.369 . 0.253 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.933 8.147 . 0.101 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 O4'-C4'-C3' 93.838 -8.33 . 0.69 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 373' ' ' ' G' . . . . . 0.451 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.046 2 C1'-O4'-C4' 117.109 8.344 . 0.359 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 374' ' ' ' G' . . . . . 0.451 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.968 8.187 . 0.228 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 375' ' ' ' U' . . . . . 0.432 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 93.428 -8.623 . 0.526 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 92.623 -9.198 . 0.448 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.7 p -144.89 137.91 26.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.362 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 67.1 t -148.83 105.97 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.241 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.8 p -142.22 146.97 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.378 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.3 145.18 33.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.73 163.52 33.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -137.2 129.64 29.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.756 . . . . 0.0 110.324 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.86 103.69 10.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -169.87 86.03 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 175.72 157.43 0.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.392 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -135.78 129.84 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -124.34 136.8 54.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.5 -118.59 0.71 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.29 -109.31 0.91 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 60.88 126.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -143.71 101.02 3.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.34 150.88 1.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.704 ' O ' ' N ' ' A' ' 20' ' ' GLN . 5.6 mtt85 -45.3 -53.82 7.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.3 t 60.23 -56.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.944 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.704 ' N ' ' O ' ' A' ' 18' ' ' ARG . 1.1 tt0 -159.31 32.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.614 1.196 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -37.55 106.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.346 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.525 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.4 OUTLIER -87.21 151.19 23.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.505 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 0.0 OUTLIER -67.15 -7.29 22.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -126.55 21.54 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.479 ' CG ' ' HG3' ' A' ' 32' ' ' LYS . 8.9 mt-30 -110.61 172.72 6.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.361 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 41.7 t -104.17 129.58 51.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.346 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.553 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -92.51 32.79 1.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.469 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 7.6 t80 -131.11 -62.73 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.656 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 24.6 p -100.71 -10.09 21.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.347 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.15 21.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.656 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -72.91 -179.77 3.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HG3' ' CG ' ' A' ' 25' ' ' GLN . 1.9 mttt -132.71 119.17 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.07 -51.98 0.84 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 22.2 p-80 -104.93 158.79 16.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 0.732 . . . . 0.0 109.595 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.697 ' CZ3' ' C4 ' ' B' ' 309' ' ' ' G' . 4.2 m95 -97.85 165.56 11.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.652 ' HB1' " H1'" ' B' ' 307' ' ' ' C' . . . -58.92 -35.52 73.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -7.29 38.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -128.25 17.03 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.369 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.574 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 19.1 t -66.86 133.41 93.97 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.422 1.076 . . . . 0.0 108.33 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.14 1.58 7.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.571 ' HE2' ' C4 ' ' B' ' 306' ' ' ' U' . 1.5 mtpt -94.7 -23.98 17.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.42 ' NZ ' ' N3 ' ' B' ' 307' ' ' ' C' . 0.0 OUTLIER -40.05 99.82 0.2 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' LYS . 18.2 Cg_endo -75.02 55.29 3.91 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.453 1.765 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 43.82 88.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -54.19 -176.73 0.11 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.582 1.176 . . . . 0.0 110.976 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.476 ' HD3' " C4'" ' B' ' 356' ' ' ' C' . 18.2 Cg_endo -75.05 148.31 91.35 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.956 -2.518 . . . . 0.0 111.019 0.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.78 137.02 0.24 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 151.83 84.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.405 1.066 . . . . 0.0 111.07 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.84 4.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -126.09 96.95 35.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.521 ' HA ' " C5'" ' B' ' 304' ' ' ' U' . 18.3 Cg_endo -75.06 172.66 15.93 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.43 75.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.8 p -73.31 84.2 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.24 126.03 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 pp -89.92 147.2 23.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.937 8.152 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 92.092 -9.577 . 0.738 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 C1'-O4'-C4' 117.158 8.397 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.855 2 O4'-C4'-C3' 93.259 -8.744 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 117.275 8.528 . 0.08 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 281' ' ' ' U' . . . . . 0.447 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -2.039 2 O4'-C4'-C3' 93.412 -8.634 . 0.187 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 282' ' ' AP7 . . . . . 0.447 ' N6 ' ' O4 ' ' B' ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 O4'-C4'-C3' 93.419 -8.629 . 0.215 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 117.258 8.509 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 285' ' ' ' A' . . . . . 0.594 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 117.183 8.425 . 0.02 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 O4'-C4'-C3' 93.122 -8.842 . 0.929 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 287' ' ' ' U' . . . . . 0.475 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.042 2 O4'-C4'-C3' 93.037 -8.902 . 0.564 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 288' ' ' ' U' . . . . . 0.591 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.035 2 O4'-C4'-C3' 93.21 -8.778 . 0.442 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 289' ' ' ' G' . . . . . 0.591 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 91.945 -9.682 . 0.252 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 290' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 O4'-C4'-C3' 92.232 -9.477 . 0.015 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 291' ' ' ' G' . . . . . 0.599 ' C2 ' ' C2 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 116.835 8.038 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 292' ' ' ' A' . . . . . 0.599 ' C2 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 117.082 8.313 . 0.106 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 293' ' ' ' A' . . . . . 0.582 ' C6 ' ' C2 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 117.213 8.459 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . 0.449 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 C1'-O4'-C4' 117.274 8.527 . 0.377 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 295' ' ' ' C' . . . . . 0.449 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 O4'-C4'-C3' 94.053 -8.176 . 0.316 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 O4'-C4'-C3' 93.369 -8.665 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 297' ' ' ' A' . . . . . 0.594 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 93.184 -8.797 . 0.725 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 92.555 -9.247 . 0.163 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 299' ' ' ' C' . . . . . 0.636 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.902 3 O4'-C4'-C3' 91.772 -9.806 . 0.471 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 300' ' ' ' U' . . . . . 0.636 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.755 2 C1'-O4'-C4' 117.475 8.75 . 0.754 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 301' ' ' ' C' . . . . . 0.812 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.906 3 O4'-C4'-C3' 92.429 -9.336 . 0.294 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 302' ' ' ' U' . . . . . 0.812 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 O4'-C4'-C3' 94.001 -8.214 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 303' ' ' ' G' . . . . . 0.582 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.822 2 O4'-C4'-C3' 91.726 -9.839 . 0.503 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 304' ' ' ' U' . . . . . 0.521 " C5'" ' HA ' ' A' ' 51' ' ' PRO . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 93.702 -8.427 . 0.507 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 305' ' ' ' A' . . . . . 0.454 ' OP1' ' CG ' ' A' ' 51' ' ' PRO . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 92.051 -9.606 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 306' ' ' ' U' . . . . . 0.571 ' C4 ' ' HE2' ' A' ' 41' ' ' LYS . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 O4'-C4'-C3' 92.412 -9.349 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 307' ' ' ' C' . . . . . 0.652 " H1'" ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 C1'-O4'-C4' 117.231 8.478 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 308' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 1 O4'-C4'-C3' 91.587 -9.938 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 309' ' ' ' G' . . . . . 0.697 ' C4 ' ' CZ3' ' A' ' 35' ' ' TRP . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 91.854 -9.747 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 310' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 92.237 -9.474 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 O4'-C4'-C3' 92.872 -9.02 . 0.319 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 312' ' ' ' G' . . . . . 0.728 ' C2 ' ' C4 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 C1'-O4'-C4' 116.541 7.712 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 313' ' ' ' G' . . . . . 0.734 ' C2 ' ' C2 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.103 2 C1'-O4'-C4' 117.288 8.542 . 0.199 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 314' ' ' ' A' . . . . . 0.734 ' C2 ' ' C2 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 117.121 8.357 . 0.431 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 315' ' ' ' C' . . . . . 0.649 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.306 -12.25 2 C1'-O4'-C4' 119.422 10.914 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' B' B ' 316' ' ' ' C' . . . . . 0.521 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 O4'-C4'-C3' 93.303 -8.712 . 0.338 0a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 317' ' ' ' C' . . . . . 0.521 ' C6 ' " H2'" ' B' ' 316' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 O4'-C4'-C3' 94.129 -8.122 . 0.485 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 318' ' ' ' G' . . . . . 0.807 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 117.251 8.502 . 0.538 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.491 3.176 2 O4'-C4'-C3' 92.136 -9.546 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 320' ' ' ' G' . . . . . 0.807 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.904 3 C1'-O4'-C4' 115.049 6.054 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 321' ' ' ' G' . . . . . 0.66 ' C4 ' ' N2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.033 3 O4'-C4'-C3' 92.16 -9.529 . 0.113 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 322' ' ' ' U' . . . . . 0.654 ' N3 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 90.631 -10.621 . 0.471 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 323' ' ' ' G' . . . . . 0.504 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.506 7.673 . 0.352 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 324' ' ' ' G' . . . . . 0.732 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 113.375 4.194 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 325' ' ' ' A' . . . . . 0.732 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.042 2 C1'-O4'-C4' 117.352 8.614 . 0.019 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 326' ' ' ' A' . . . . . 0.619 ' C6 ' ' C4 ' ' B' ' 327' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 116.7 7.889 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 327' ' ' ' C' . . . . . 0.619 ' C4 ' ' C6 ' ' B' ' 326' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.824 8.026 . 0.507 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 328' ' ' ' U' . . . . . 0.473 ' N3 ' ' C5 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 116.713 7.903 . 0.763 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 329' ' ' ' G' . . . . . 0.522 ' N1 ' ' N6 ' ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 91.815 -9.775 . 0.219 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 330' ' ' ' U' . . . . . 0.486 ' C5 ' ' C4 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.874 8.083 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 331' ' ' ' G' . . . . . 0.66 ' N2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 117.346 8.606 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 332' ' ' ' A' . . . . . 0.66 ' C2 ' ' N2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 116.817 8.019 . 0.034 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 333' ' ' ' A' . . . . . 0.607 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 C1'-O4'-C4' 117.061 8.29 . 0.169 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 334' ' ' ' G' . . . . . 0.607 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 C1'-O4'-C4' 116.711 7.901 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 335' ' ' ' U' . . . . . 0.635 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 117.321 8.578 . 0.728 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 336' ' ' ' U' . . . . . 0.635 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.984 8.204 . 0.611 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 337' ' ' ' C' . . . . . 0.619 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.955 1 O4'-C4'-C3' 91.016 -10.346 . 0.357 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 338' ' ' ' G' . . . . . 0.817 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 O4'-C4'-C3' 90.347 -10.824 . 0.638 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 339' ' ' ' G' . . . . . 0.817 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 99.424 -11.307 OUTLIER-EPSILON 0.01 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 340' ' ' ' A' . . . . . 0.794 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 92.296 -9.431 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 341' ' ' ' A' . . . . . 0.794 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 117.24 8.489 . 0.482 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.084 2 C1'-O4'-C4' 116.617 7.797 . 0.684 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 343' ' ' ' A' . . . . . 0.509 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 117.026 8.251 . 0.775 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 344' ' ' ' C' . . . . . 0.509 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.089 2 O4'-C4'-C3' 93.503 -8.569 . 0.424 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 345' ' ' ' C' . . . . . 0.607 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 93.771 -8.378 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 346' ' ' ' C' . . . . . 0.622 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 1 O4'-C4'-C3' 90.526 -10.696 . 0.851 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 347' ' ' ' G' . . . . . 0.652 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.204 -8.783 . 0.377 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 348' ' ' ' G' . . . . . 0.652 ' C5 ' ' C6 ' ' B' ' 347' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 91.865 -9.739 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 349' ' ' ' C' . . . . . 0.64 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 O4'-C4'-C3' 90.139 -10.972 . 0.019 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 350' ' ' ' C' . . . . . 0.453 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.899 3 O4'-C4'-C3' 91.106 -10.281 . 0.473 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 351' ' ' ' G' . . . . . 0.436 ' O6 ' ' N4 ' ' B' ' 350' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 117.156 8.395 . 0.356 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 352' ' ' ' C' . . . . . 0.4 " O4'" " H2'" ' B' ' 351' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 92.327 -9.409 . 0.557 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 353' ' ' ' A' . . . . . 0.49 ' N6 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.835 2 O4'-C4'-C3' 93.289 -8.722 . 0.354 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 354' ' ' ' A' . . . . . 0.493 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 C1'-O4'-C4' 116.881 8.09 . 0.808 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 355' ' ' ' C' . . . . . 0.493 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 O4'-C4'-C3' 92.168 -9.523 . 0.777 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 356' ' ' ' C' . . . . . 0.505 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 92.143 -9.541 . 0.062 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 357' ' ' ' C' . . . . . 0.505 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.875 2 C1'-O4'-C4' 116.391 7.545 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 358' ' ' ' U' . . . . . 0.414 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 93.877 -8.302 . 0.404 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 359' ' ' ' G' . . . . . 0.464 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.944 3 O4'-C4'-C3' 93.173 -8.805 . 0.206 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 360' ' ' ' G' . . . . . 0.464 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 94.211 -8.064 . 0.131 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 361' ' ' ' G' . . . . . 0.468 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 116.987 8.208 . 0.234 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 362' ' ' ' A' . . . . . 0.476 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 117.2 8.444 . 0.492 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 363' ' ' ' G' . . . . . 0.476 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 117.2 8.444 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 O4'-C4'-C3' 90.851 -10.463 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.86 1 C1'-O4'-C4' 104.664 -5.484 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.993 1 C1'-O4'-C4' 104.476 -5.693 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 C1'-O4'-C4' 117.157 8.397 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 368' ' ' ' C' . . . . . 0.429 ' C4 ' ' N4 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 92.712 -9.134 . 0.312 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 369' ' ' ' C' . . . . . 0.429 ' N4 ' ' C4 ' ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 93.854 -8.319 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 370' ' ' ' C' . . . . . 0.465 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 92.41 -9.35 . 0.321 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 371' ' ' ' A' . . . . . 0.465 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.852 8.058 . 0.382 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 C1'-O4'-C4' 117.177 8.419 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 373' ' ' ' G' . . . . . 0.495 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 117.262 8.513 . 0.036 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 374' ' ' ' G' . . . . . 0.495 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.961 3 C1'-O4'-C4' 117.042 8.269 . 0.545 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 O4'-C4'-C3' 93.179 -8.801 . 0.513 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.046 2 O4'-C4'-C3' 93.769 -8.38 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.6 p -132.18 152.94 51.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.416 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -53.47 138.38 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.25 120.21 63.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.06 145.31 48.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.966 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -123.08 60.98 0.57 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -157.52 52.21 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -165.63 125.45 1.76 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -111.53 82.3 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.244 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.88 130.77 44.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.9 139.62 25.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -166.66 161.84 16.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.326 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.65 -151.89 21.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.453 1.095 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.19 162.88 36.36 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.577 ' OE1' HG21 ' A' ' 53' ' ' THR . 0.2 OUTLIER 62.75 73.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 110.351 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 44.65 90.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.38 86.1 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.633 ' O ' ' C ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -127.6 68.3 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.633 ' C ' ' O ' ' A' ' 18' ' ' ARG . 34.0 t -16.82 -75.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.998 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.599 ' O ' ' C ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -137.61 47.59 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.599 ' C ' ' O ' ' A' ' 20' ' ' GLN . 0.6 OUTLIER -24.37 101.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.519 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.6 OUTLIER -78.44 147.41 34.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.475 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 3.2 mmm180 -68.17 -4.27 13.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.06 26.01 5.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -114.96 175.23 5.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.229 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.478 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 50.4 t -101.66 131.09 48.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 108.28 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.48 ' O ' " H4'" ' B' ' 307' ' ' ' C' . . . -90.54 26.15 2.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.527 ' CE2' ' OP2' ' B' ' 307' ' ' ' C' . 4.7 t80 -126.21 -61.03 1.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 23.7 p -97.93 -29.27 13.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 108.325 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 93.55 25.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.415 1.072 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.58 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -89.43 142.09 27.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -92.1 124.79 36.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.02 -50.91 0.81 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 31.1 p-80 -114.08 160.51 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.565 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.492 ' CZ3' ' C4 ' ' B' ' 309' ' ' ' G' . 4.6 m95 -100.93 167.48 10.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.626 ' HB1' " H1'" ' B' ' 307' ' ' ' C' . . . -59.12 -35.56 73.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 109.373 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -66.57 -8.72 28.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.243 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.56 29.54 3.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.556 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 30.2 t -75.8 133.18 73.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.433 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.01 1.41 7.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.566 ' HE2' ' C4 ' ' B' ' 306' ' ' ' U' . 0.3 OUTLIER -94.52 -23.4 17.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.262 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -40.0 100.08 0.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' LYS . 18.4 Cg_endo -75.0 -66.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.98 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.98 174.02 15.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -176.59 175.37 47.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.9 94.59 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.961 0.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.01 141.13 50.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.51 129.08 16.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 105.17 2.03 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 134.36 22.7 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.423 ' CB ' ' HG3' ' A' ' 15' ' ' GLU . 18.1 Cg_endo -75.07 162.61 36.68 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.439 1.757 . . . . 0.0 110.949 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.483 ' HG3' ' C8 ' ' B' ' 305' ' ' ' A' . 2.1 mm-40 -152.01 88.59 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.577 HG21 ' OE1' ' A' ' 15' ' ' GLU . 2.7 t -142.59 128.36 19.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.57 91.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.177 . . . . 0.0 109.965 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 pp -172.42 162.45 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.5 tp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.873 2 C1'-O4'-C4' 117.099 8.333 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.034 2 O4'-C4'-C3' 92.532 -9.263 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 117.186 8.429 . 0.542 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . 0.448 ' C6 ' ' C6 ' ' B' ' 280' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 O4'-C4'-C3' 93.054 -8.89 . 0.653 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 280' ' ' ' G' . . . . . 0.448 ' C6 ' ' C6 ' ' B' ' 279' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 117.193 8.437 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 281' ' ' ' U' . . . . . 0.448 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 O4'-C4'-C3' 93.014 -8.919 . 0.298 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 282' ' ' AP7 . . . . . 0.448 ' N6 ' ' O4 ' ' B' ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . 0.419 " O4'" " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.02 8.244 . 0.416 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 117.232 8.48 . 0.705 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 285' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.869 2 C1'-O4'-C4' 117.314 8.572 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.058 2 O4'-C4'-C3' 92.408 -9.351 . 0.678 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 287' ' ' ' U' . . . . . 0.484 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.04 2 O4'-C4'-C3' 92.83 -9.05 . 0.783 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 288' ' ' ' U' . . . . . 0.509 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 92.183 -9.512 . 0.579 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 289' ' ' ' G' . . . . . 0.509 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 O4'-C4'-C3' 92.018 -9.63 . 0.492 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 290' ' ' ' A' . . . . . 0.638 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 116.057 7.175 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 291' ' ' ' G' . . . . . 0.646 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.21 8.456 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 292' ' ' ' A' . . . . . 0.646 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 O4'-C4'-C3' 92.029 -9.622 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 293' ' ' ' A' . . . . . 0.411 ' N6 ' ' N1 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 117.153 8.392 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . 0.456 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 116.981 8.201 . 0.269 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 295' ' ' ' C' . . . . . 0.456 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 92.956 -8.96 . 0.323 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 92.258 -9.459 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 297' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.899 2 O4'-C4'-C3' 93.631 -8.478 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 3 O4'-C4'-C3' 92.575 -9.232 . 0.715 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 299' ' ' ' C' . . . . . 0.639 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.963 3 O4'-C4'-C3' 91.854 -9.747 . 0.185 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 300' ' ' ' U' . . . . . 0.639 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.523 2 C1'-O4'-C4' 117.423 8.692 . 0.692 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 301' ' ' ' C' . . . . . 0.783 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.003 3 O4'-C4'-C3' 91.935 -9.689 . 0.198 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 302' ' ' ' U' . . . . . 0.783 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 117.081 8.312 . 0.513 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 303' ' ' ' G' . . . . . 0.582 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 O4'-C4'-C3' 91.949 -9.68 . 0.337 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 304' ' ' ' U' . . . . . 0.444 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 92.315 -9.418 . 0.256 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 305' ' ' ' A' . . . . . 0.483 ' C8 ' ' HG3' ' A' ' 52' ' ' GLN . . . . . . . . 0 C3'--C2' 1.502 -2.073 2 O4'-C4'-C3' 93.0 -8.929 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 306' ' ' ' U' . . . . . 0.566 ' C4 ' ' HE2' ' A' ' 41' ' ' LYS . . . . . . . . 0 C3'--C2' 1.504 -1.905 1 O4'-C4'-C3' 91.312 -10.134 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 307' ' ' ' C' . . . . . 0.626 " H1'" ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 117.077 8.308 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 308' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 O4'-C4'-C3' 91.653 -9.891 . 0.012 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 309' ' ' ' G' . . . . . 0.519 ' N2 ' ' O ' ' A' ' 22' ' ' ASP . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 O4'-C4'-C3' 90.327 -10.838 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 310' ' ' ' G' . . . . . 0.416 " H5'" " O2'" ' B' ' 309' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 91.603 -9.926 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 311' ' ' ' C' . . . . . 0.402 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 92.797 -9.074 . 0.278 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 312' ' ' ' G' . . . . . 0.488 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 115.973 7.081 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 313' ' ' ' G' . . . . . 0.638 ' C2 ' ' N3 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.596 2 C1'-O4'-C4' 117.302 8.558 . 0.197 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 314' ' ' ' A' . . . . . 0.645 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 117.034 8.26 . 0.638 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 315' ' ' ' C' . . . . . 0.645 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.306 -12.246 2 C1'-O4'-C4' 119.504 11.005 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' B' B ' 316' ' ' ' C' . . . . . 0.512 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 O4'-C4'-C3' 93.172 -8.806 . 0.096 4g . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 317' ' ' ' C' . . . . . 0.512 ' C6 ' " H2'" ' B' ' 316' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 117.179 8.421 . 0.437 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 318' ' ' ' G' . . . . . 0.805 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 117.327 8.585 . 0.489 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.49 3.05 2 O4'-C4'-C3' 92.171 -9.52 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 320' ' ' ' G' . . . . . 0.805 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.986 3 C1'-O4'-C4' 115.108 6.12 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 321' ' ' ' G' . . . . . 0.684 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.016 3 O4'-C4'-C3' 92.466 -9.31 . 0.111 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 322' ' ' ' U' . . . . . 0.684 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.919 3 O4'-C4'-C3' 90.851 -10.464 . 0.534 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 323' ' ' ' G' . . . . . 0.505 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.888 2 C1'-O4'-C4' 116.479 7.643 . 0.352 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 324' ' ' ' G' . . . . . 0.672 ' N1 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.045 0 C3'-C2'-O2' 102.735 -3.643 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 325' ' ' ' A' . . . . . 0.672 ' C6 ' ' N1 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.504 2 C1'-O4'-C4' 117.476 8.751 . 0.082 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 326' ' ' ' A' . . . . . 0.579 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.526 7.696 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 116.801 8.001 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 328' ' ' ' U' . . . . . 0.42 ' O4 ' ' O6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.843 2 C1'-O4'-C4' 117.267 8.519 . 0.551 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 329' ' ' ' G' . . . . . 0.599 ' C5 ' ' OP2' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.004 3 O4'-C4'-C3' 91.238 -10.187 . 0.094 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.987 1 O4'-C4'-C3' 90.943 -10.398 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 331' ' ' ' G' . . . . . 0.65 ' C2 ' ' N1 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.012 3 C1'-O4'-C4' 117.208 8.453 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 332' ' ' ' A' . . . . . 0.65 ' N1 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 O4'-C4'-C3' 93.952 -8.249 . 0.295 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 333' ' ' ' A' . . . . . 0.53 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 116.19 7.322 . 0.128 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 334' ' ' ' G' . . . . . 0.53 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 116.502 7.669 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 335' ' ' ' U' . . . . . 0.631 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 117.133 8.37 . 0.73 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 336' ' ' ' U' . . . . . 0.631 ' C4 ' ' N3 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.867 2 C1'-O4'-C4' 117.002 8.225 . 0.544 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 337' ' ' ' C' . . . . . 0.604 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 91.366 -10.096 . 0.366 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 338' ' ' ' G' . . . . . 0.797 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.932 3 O4'-C4'-C3' 90.473 -10.733 . 0.26 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 339' ' ' ' G' . . . . . 0.797 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.975 1 C1'-O4'-C4' 100.45 -10.167 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' B' B ' 340' ' ' ' A' . . . . . 0.772 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.022 3 O4'-C4'-C3' 91.832 -9.763 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 341' ' ' ' A' . . . . . 0.772 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.955 2 C1'-O4'-C4' 117.328 8.587 . 0.391 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 116.802 8.002 . 0.109 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 343' ' ' ' A' . . . . . 0.634 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 C1'-O4'-C4' 117.11 8.344 . 0.631 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 344' ' ' ' C' . . . . . 0.634 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 93.251 -8.75 . 0.502 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 345' ' ' ' C' . . . . . 0.598 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.041 2 O4'-C4'-C3' 94.024 -8.197 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 346' ' ' ' C' . . . . . 0.668 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 92.336 -9.403 . 0.042 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 347' ' ' ' G' . . . . . 0.496 ' C6 ' ' C6 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.371 -8.664 . 0.517 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 348' ' ' ' G' . . . . . 0.666 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.037 2 O4'-C4'-C3' 92.041 -9.613 . 0.11 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 349' ' ' ' C' . . . . . 0.666 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.841 2 O4'-C4'-C3' 90.805 -10.496 . 0.014 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 350' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.884 3 O4'-C4'-C3' 91.206 -10.21 . 0.229 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 117.202 8.446 . 0.455 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 3 O4'-C4'-C3' 91.925 -9.696 . 0.578 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 117.145 8.383 . 0.342 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 354' ' ' ' A' . . . . . 0.493 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 117.185 8.427 . 0.58 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 355' ' ' ' C' . . . . . 0.493 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 92.969 -8.951 . 0.588 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 356' ' ' ' C' . . . . . 0.456 ' C6 ' " H2'" ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 93.437 -8.617 . 0.06 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 357' ' ' ' C' . . . . . 0.448 ' N4 ' ' O4 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.214 7.349 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 358' ' ' ' U' . . . . . 0.448 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 O4'-C4'-C3' 93.374 -8.661 . 0.285 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 359' ' ' ' G' . . . . . 0.515 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 O4'-C4'-C3' 93.411 -8.635 . 0.21 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 360' ' ' ' G' . . . . . 0.515 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.068 2 C1'-O4'-C4' 116.964 8.182 . 0.047 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 361' ' ' ' G' . . . . . 0.473 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 O4'-C4'-C3' 93.953 -8.248 . 0.342 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 362' ' ' ' A' . . . . . 0.477 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 117.207 8.452 . 0.464 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 363' ' ' ' G' . . . . . 0.477 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 117.239 8.488 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 1 C1'-O4'-C4' 103.726 -6.527 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.869 1 O4'-C4'-C3' 91.168 -10.237 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 0 C3'-C2'-O2' 102.736 -3.643 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 C1'-O4'-C4' 117.297 8.552 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 368' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 O4'-C4'-C3' 92.114 -9.562 . 0.231 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 369' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 O4'-C4'-C3' 93.428 -8.623 . 0.01 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 O4'-C4'-C3' 92.467 -9.309 . 0.021 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.034 2 C1'-O4'-C4' 116.921 8.135 . 0.261 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.91 3 O4'-C4'-C3' 93.574 -8.518 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 373' ' ' ' G' . . . . . 0.481 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 117.208 8.453 . 0.316 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 374' ' ' ' G' . . . . . 0.481 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.958 8.176 . 0.295 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 3 O4'-C4'-C3' 92.772 -9.092 . 0.626 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 92.652 -9.177 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 2' ' ' THR . 29.7 m -113.37 56.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.351 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 p -173.4 142.72 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.541 ' O ' HG13 ' A' ' 4' ' ' VAL . 13.6 p -114.7 106.71 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -134.72 163.31 30.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.08 153.52 24.48 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.556 1.16 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.454 ' NE2' ' OP1' ' B' ' 304' ' ' ' U' . 3.0 pt20 -124.17 151.84 43.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -77.16 95.51 4.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.436 ' OE1' ' NH1' ' A' ' 11' ' ' ARG . 37.7 mm-40 -140.26 170.33 16.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -165.9 124.19 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.436 ' NH1' ' OE1' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -176.73 139.41 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -123.68 -48.57 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 110.326 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.52 -164.02 29.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' GLU . . . 123.55 177.26 15.03 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.3 pm0 33.9 90.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -72.85 64.72 0.69 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -158.5 59.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.239 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.704 ' O ' ' N ' ' A' ' 20' ' ' GLN . 1.4 mpt_? 39.52 36.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 110.338 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.6 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 28.6 t 61.0 -53.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.704 ' N ' ' O ' ' A' ' 18' ' ' ARG . 24.6 tt0 172.27 42.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.398 1.061 . . . . 0.0 110.266 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.879 HD21 ' HB2' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -42.84 97.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.481 ' CB ' ' HB2' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -80.78 155.07 26.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -70.38 1.35 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.96 21.51 3.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -117.03 141.17 48.59 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.485 1.115 . . . . 0.0 110.354 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 48.6 t -70.96 130.56 41.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.276 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.879 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -94.54 29.27 2.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.407 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 33.6 t80 -129.33 -60.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.525 ' SG ' ' CG ' ' A' ' 31' ' ' GLU . 28.1 p -96.82 -15.96 21.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.7 25.4 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.252 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.525 ' CG ' ' SG ' ' A' ' 29' ' ' CYS . 47.2 mt-10 -93.26 122.61 35.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.361 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -79.43 125.75 29.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 142.6 -48.11 0.79 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.157 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 47.0 p-80 -116.55 171.07 8.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.576 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -104.14 165.5 11.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 108.002 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.594 ' HB2' ' O6 ' ' B' ' 309' ' ' ' G' . . . -58.64 -38.55 78.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -6.83 30.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -128.11 22.98 6.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.575 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 22.7 t -70.93 132.45 86.71 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 108.245 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD3' ' NE2' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.07 0.72 8.59 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.524 1.802 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.435 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 1.3 mttt -92.89 -22.3 19.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -47.63 104.98 0.44 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 163.99 34.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 179.48 80.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 110.34 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.3 -176.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.88 0.51 Allowed 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.949 0.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 178.48 152.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.21 88.28 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 153.19 41.26 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.48 1.779 . . . . 0.0 111.064 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.419 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 1.7 ptt180 -177.51 63.85 0.19 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 50' ' ' ARG . 18.1 Cg_endo -75.0 156.99 43.04 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -174.68 109.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.6 t -162.88 137.86 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.347 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.56 111.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 tp -154.15 158.99 41.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . 0.49 ' C6 ' ' N7 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 116.864 8.071 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 277' ' ' ' G' . . . . . 0.49 ' N7 ' ' C6 ' ' B' ' 276' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 O4'-C4'-C3' 92.714 -9.133 . 0.612 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 278' ' ' ' C' . . . . . 0.436 " O4'" " H2'" ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 93.251 -8.749 . 0.486 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . 0.535 ' C6 ' ' N1 ' ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 O4'-C4'-C3' 92.692 -9.149 . 0.251 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.041 2 C1'-O4'-C4' 117.242 8.491 . 0.082 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 281' ' ' ' U' . . . . . 0.408 " H2'" " O4'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 93.187 -8.795 . 0.208 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 282' ' ' AP7 . . . . . 0.409 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . 0.409 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.95 3 O4'-C4'-C3' 92.619 -9.201 . 0.316 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . 0.502 ' C2 ' ' C2 ' ' B' ' 298' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 116.954 8.172 . 0.164 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 285' ' ' ' A' . . . . . 0.532 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 C1'-O4'-C4' 117.205 8.45 . 0.382 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 286' ' ' ' G' . . . . . 0.425 " H2'" " O4'" ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 O4'-C4'-C3' 93.131 -8.835 . 0.768 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 287' ' ' ' U' . . . . . 0.554 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 92.073 -9.591 . 0.533 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 288' ' ' ' U' . . . . . 0.649 ' C4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.053 1 O4'-C4'-C3' 91.227 -10.195 . 0.82 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 289' ' ' ' G' . . . . . 0.649 ' C6 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.963 3 C1'-O4'-C4' 117.061 8.29 . 0.038 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 290' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 93.392 -8.649 . 0.052 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 291' ' ' ' G' . . . . . 0.648 ' C2 ' ' N1 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 117.231 8.479 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 292' ' ' ' A' . . . . . 0.648 ' N1 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.962 1 O4'-C4'-C3' 91.234 -10.19 . 0.01 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 293' ' ' ' A' . . . . . 0.518 " O5'" " C2'" ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.037 1 C1'-O4'-C4' 115.051 6.057 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . 0.44 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 C1'-O4'-C4' 117.244 8.494 . 0.459 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 295' ' ' ' C' . . . . . 0.44 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.862 2 O4'-C4'-C3' 94.029 -8.194 . 0.222 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 296' ' ' ' U' . . . . . 0.424 " H2'" " O4'" ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 93.358 -8.673 . 0.628 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 297' ' ' ' A' . . . . . 0.532 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 O4'-C4'-C3' 93.127 -8.838 . 0.53 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . 0.502 ' C2 ' ' C2 ' ' B' ' 284' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.879 2 O4'-C4'-C3' 93.623 -8.484 . 0.341 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 299' ' ' ' C' . . . . . 0.596 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.915 3 O4'-C4'-C3' 92.563 -9.241 . 0.552 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 300' ' ' ' U' . . . . . 0.596 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.626 2 C1'-O4'-C4' 117.296 8.551 . 0.287 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 301' ' ' ' C' . . . . . 0.768 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.026 3 O4'-C4'-C3' 92.526 -9.267 . 0.19 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 302' ' ' ' U' . . . . . 0.768 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 C1'-O4'-C4' 117.242 8.491 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 303' ' ' ' G' . . . . . 0.624 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.035 1 O4'-C4'-C3' 91.43 -10.05 . 0.229 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 304' ' ' ' U' . . . . . 0.657 " O2'" ' OP1' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 91.52 -9.986 OUTLIER-EPSILON 0.268 1L . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 305' ' ' ' A' . . . . . 0.657 ' OP1' " O2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 89.933 -11.119 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 306' ' ' ' U' . . . . . 0.489 " O2'" ' OP1' ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 92.47 -9.307 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' B' B ' 307' ' ' ' C' . . . . . 0.489 ' OP1' " O2'" ' B' ' 306' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 93.312 -8.706 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 308' ' ' ' U' . . . . . 0.483 ' C5 ' ' HG2' ' A' ' 18' ' ' ARG . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 O4'-C4'-C3' 92.511 -9.278 . 0.012 9a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 309' ' ' ' G' . . . . . 0.594 ' O6 ' ' HB2' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 90.117 -10.988 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 310' ' ' ' G' . . . . . 0.517 " C5'" " H3'" ' B' ' 309' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 O4'-C4'-C3' 91.614 -9.918 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 311' ' ' ' C' . . . . . 0.409 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 O4'-C4'-C3' 93.114 -8.847 . 0.276 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 312' ' ' ' G' . . . . . 0.537 ' N1 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.153 7.281 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 313' ' ' ' G' . . . . . 0.537 ' C5 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 C1'-O4'-C4' 116.966 8.185 . 0.17 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 314' ' ' ' A' . . . . . 0.655 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.679 7.866 . 0.655 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 315' ' ' ' C' . . . . . 0.655 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.296 -13.084 2 C1'-O4'-C4' 119.694 11.215 . 0.015 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.02 1 C1'-O4'-C4' 115.837 6.93 . 0.077 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 317' ' ' ' C' . . . . . 0.64 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 C1'-O4'-C4' 117.261 8.512 . 0.389 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 318' ' ' ' G' . . . . . 0.811 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 C1'-O4'-C4' 117.229 8.477 . 0.451 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.494 3.445 2 O4'-C4'-C3' 92.45 -9.321 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 320' ' ' ' G' . . . . . 0.811 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.886 2 C1'-O4'-C4' 114.799 5.777 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 321' ' ' ' G' . . . . . 0.693 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.082 3 O4'-C4'-C3' 92.372 -9.377 . 0.114 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 322' ' ' ' U' . . . . . 0.693 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.874 3 O4'-C4'-C3' 91.318 -10.13 . 0.22 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 323' ' ' ' G' . . . . . 0.44 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.927 3 O4'-C4'-C3' 93.559 -8.529 . 0.347 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 324' ' ' ' G' . . . . . 0.704 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.001 0 C3'-C2'-O2' 102.719 -3.648 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 325' ' ' ' A' . . . . . 0.704 ' C6 ' ' C6 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.712 2 C1'-O4'-C4' 116.742 7.935 . 0.109 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 326' ' ' ' A' . . . . . 0.637 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.864 2 C1'-O4'-C4' 116.556 7.729 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.885 2 C1'-O4'-C4' 116.733 7.925 . 0.578 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 328' ' ' ' U' . . . . . 0.607 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 117.184 8.426 . 0.751 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 329' ' ' ' G' . . . . . 0.607 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.857 3 O4'-C4'-C3' 91.386 -10.081 . 0.163 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.957 1 O4'-C4'-C3' 90.899 -10.43 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 331' ' ' ' G' . . . . . 0.656 ' C6 ' ' N6 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.223 8.47 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 332' ' ' ' A' . . . . . 0.656 ' N6 ' ' C6 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.014 2 C1'-O4'-C4' 116.844 8.049 . 0.101 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 333' ' ' ' A' . . . . . 0.548 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 C1'-O4'-C4' 116.72 7.911 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 334' ' ' ' G' . . . . . 0.548 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.02 2 C1'-O4'-C4' 116.542 7.713 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 335' ' ' ' U' . . . . . 0.659 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 117.373 8.637 . 0.629 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 336' ' ' ' U' . . . . . 0.659 ' C4 ' ' N3 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.492 2 C1'-O4'-C4' 117.3 8.556 . 0.474 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 337' ' ' ' C' . . . . . 0.684 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.918 2 C1'-O4'-C4' 116.795 7.994 . 0.063 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 338' ' ' ' G' . . . . . 0.684 ' N7 ' ' C4 ' ' B' ' 337' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 O4'-C4'-C3' 90.391 -10.792 . 0.344 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 339' ' ' ' G' . . . . . 0.612 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 100.523 -10.085 OUTLIER-EPSILON 0.01 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 340' ' ' ' A' . . . . . 0.549 ' N7 ' ' N3 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.479 2.148 2 O4'-C4'-C3' 93.007 -8.924 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 341' ' ' ' A' . . . . . 0.452 ' N6 ' " H1'" ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.283 2 C1'-O4'-C4' 117.457 8.73 . 0.66 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 3 C1'-O4'-C4' 116.897 8.107 . 0.162 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 343' ' ' ' A' . . . . . 0.654 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.021 2 C1'-O4'-C4' 117.188 8.431 . 0.593 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 344' ' ' ' C' . . . . . 0.654 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 O4'-C4'-C3' 94.064 -8.168 . 0.578 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 345' ' ' ' C' . . . . . 0.696 ' C4 ' ' C5 ' ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 O4'-C4'-C3' 93.909 -8.279 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 346' ' ' ' C' . . . . . 0.775 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.956 1 O4'-C4'-C3' 90.441 -10.757 . 0.875 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 347' ' ' ' G' . . . . . 0.581 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 O4'-C4'-C3' 93.486 -8.581 . 0.304 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 348' ' ' ' G' . . . . . 0.64 ' N2 ' ' C2 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 91.561 -9.957 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 349' ' ' ' C' . . . . . 0.476 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 O4'-C4'-C3' 91.107 -10.281 . 0.082 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 350' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.954 3 O4'-C4'-C3' 91.418 -10.058 . 0.456 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 C1'-O4'-C4' 117.202 8.447 . 0.403 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 O4'-C4'-C3' 92.887 -9.009 . 0.603 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 C1'-O4'-C4' 117.034 8.261 . 0.428 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 354' ' ' ' A' . . . . . 0.498 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 94.071 -8.164 . 0.845 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 355' ' ' ' C' . . . . . 0.498 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 93.023 -8.912 . 0.587 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 356' ' ' ' C' . . . . . 0.458 ' C6 ' " H2'" ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 O4'-C4'-C3' 93.626 -8.482 . 0.132 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 357' ' ' ' C' . . . . . 0.447 ' N4 ' ' O4 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 116.16 7.289 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 358' ' ' ' U' . . . . . 0.447 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 93.797 -8.359 . 0.293 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 359' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.055 2 O4'-C4'-C3' 92.833 -9.048 . 0.398 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 360' ' ' ' G' . . . . . 0.501 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 O4'-C4'-C3' 91.546 -9.967 . 0.255 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 361' ' ' ' G' . . . . . 0.501 ' C8 ' " H2'" ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 116.873 8.081 . 0.317 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 362' ' ' ' A' . . . . . 0.472 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 117.209 8.455 . 0.422 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 363' ' ' ' G' . . . . . 0.472 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 117.272 8.525 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 1 C1'-O4'-C4' 104.864 -5.262 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 0 C3'-C2'-O2' 102.711 -3.651 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 0 C3'-C2'-O2' 102.743 -3.64 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.882 2 C1'-O4'-C4' 116.501 7.667 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 368' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 O4'-C4'-C3' 93.949 -8.251 . 0.53 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 369' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 117.077 8.308 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 370' ' ' ' C' . . . . . 0.405 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 O4'-C4'-C3' 92.862 -9.027 . 0.3 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 371' ' ' ' A' . . . . . 0.405 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.954 2 C1'-O4'-C4' 116.864 8.072 . 0.377 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 116.969 8.188 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 373' ' ' ' G' . . . . . 0.453 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 C1'-O4'-C4' 116.868 8.075 . 0.013 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 374' ' ' ' G' . . . . . 0.453 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 O4'-C4'-C3' 94.177 -8.088 . 0.032 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 3 O4'-C4'-C3' 93.161 -8.813 . 0.065 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 376' ' ' ' U' . . . . . 0.402 " O3'" ' OP2' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 O4'-C4'-C3' 93.834 -8.333 . 0.532 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.4 ' O ' ' OG1' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 1' ' ' ALA . 19.4 m -160.0 125.5 4.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.358 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -174.7 137.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.6 1.187 . . . . 0.0 109.259 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.435 ' O ' ' CB ' ' A' ' 5' ' ' SER . 11.0 p -170.1 121.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER 163.86 152.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -127.31 -176.73 14.57 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.45 1.094 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 179.35 154.22 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 0.0 110.322 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.02 148.98 1.8 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.08 98.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.262 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 t70 177.23 144.81 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 12' ' ' GLN . 1.8 tpm_? -176.87 -69.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.235 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' ARG . 6.5 mt-30 54.41 168.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.082 . . . . 0.0 110.321 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 14' ' ' GLY . . . 156.85 151.97 6.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 13' ' ' GLY . . . 55.87 162.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -157.22 -61.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.594 0.82 . . . . 0.0 110.237 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.45 80.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.21 160.42 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.991 ' O ' ' N ' ' A' ' 20' ' ' GLN . 2.7 mtt180 -137.27 72.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -45.23 60.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.991 ' N ' ' O ' ' A' ' 18' ' ' ARG . 2.9 tt0 79.87 51.85 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.642 HD12 ' HG2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -87.94 114.17 24.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.496 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 20.9 t0 -80.83 150.53 29.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.448 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 0.2 OUTLIER -67.37 -7.04 21.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 110.385 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.6 25.22 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.372 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 13.9 mt-30 -113.66 179.64 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 46.3 t -101.57 134.98 43.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 108.341 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.576 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -95.34 23.24 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.476 ' O ' ' C2 ' ' B' ' 306' ' ' ' U' . 5.5 t80 -124.35 -63.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.718 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.1 p -96.29 -19.52 19.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 108.325 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.565 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER 93.64 -19.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.718 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.7 OUTLIER -46.7 142.2 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -97.61 135.86 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.26 -47.63 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.545 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 33.1 p-80 -116.52 164.44 14.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.556 0.798 . . . . 0.0 109.633 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -101.06 166.15 10.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.589 1.181 . . . . 0.0 107.98 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.699 ' HB1' " H1'" ' B' ' 307' ' ' ' C' . . . -59.47 -35.35 73.92 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -68.66 -7.52 34.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.29 23.85 4.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.427 1.079 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 23.1 t -72.67 133.22 82.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 108.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.03 1.05 8.19 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -92.37 -20.38 21.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.49 103.76 0.36 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 138.54 23.27 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -139.56 145.05 38.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.52 -178.08 15.31 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.54 1.15 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.17 60.21 Favored 'Cis proline' 0 C--N 1.359 1.085 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.028 -0.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -152.06 105.03 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -149.68 122.71 1.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.19 33.78 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.562 1.822 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -149.11 117.18 3.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.402 1.064 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 179.92 5.63 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -110.18 -61.89 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.8 m 59.08 156.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.7 p -147.21 164.38 33.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.964 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 tp -142.47 153.12 43.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . 0.538 ' C6 ' ' C5 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 117.229 8.477 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 277' ' ' ' G' . . . . . 0.538 ' C5 ' ' C6 ' ' B' ' 276' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.045 2 O4'-C4'-C3' 92.66 -9.171 . 0.818 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 117.073 8.303 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . 0.478 ' C6 ' ' N1 ' ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 O4'-C4'-C3' 92.176 -9.517 . 0.67 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 C1'-O4'-C4' 117.273 8.525 . 0.047 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 281' ' ' ' U' . . . . . 0.448 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -2.012 2 O4'-C4'-C3' 93.298 -8.715 . 0.857 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 282' ' ' AP7 . . . . . 0.473 ' C2 ' ' O2 ' ' B' ' 300' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . 0.402 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 O4'-C4'-C3' 93.046 -8.896 . 0.372 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.964 8.182 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 285' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.856 2 C1'-O4'-C4' 117.259 8.51 . 0.219 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 93.856 -8.317 . 0.45 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 287' ' ' ' U' . . . . . 0.487 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.858 2 O4'-C4'-C3' 93.968 -8.237 . 0.655 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 288' ' ' ' U' . . . . . 0.553 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.115 -8.847 . 0.497 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 289' ' ' ' G' . . . . . 0.553 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 92.272 -9.449 . 0.531 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 290' ' ' ' A' . . . . . 0.641 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 C1'-O4'-C4' 116.033 7.148 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 291' ' ' ' G' . . . . . 0.655 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 117.181 8.424 . 0.048 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 292' ' ' ' A' . . . . . 0.655 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 O4'-C4'-C3' 92.761 -9.099 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 293' ' ' ' A' . . . . . 0.6 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 C1'-O4'-C4' 117.23 8.477 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . 0.409 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 117.004 8.226 . 0.293 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 295' ' ' ' C' . . . . . 0.419 ' C4 ' ' C4 ' ' B' ' 296' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 O4'-C4'-C3' 92.71 -9.136 . 0.366 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 296' ' ' ' U' . . . . . 0.419 ' C4 ' ' C4 ' ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 O4'-C4'-C3' 91.731 -9.835 . 0.57 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 297' ' ' ' A' . . . . . 0.401 ' C8 ' " H2'" ' B' ' 296' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.949 3 O4'-C4'-C3' 93.981 -8.228 . 0.567 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 3 O4'-C4'-C3' 93.119 -8.844 . 0.467 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 299' ' ' ' C' . . . . . 0.603 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.911 3 O4'-C4'-C3' 92.051 -9.606 . 0.679 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 300' ' ' ' U' . . . . . 0.616 ' C4 ' ' N4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.792 2 C1'-O4'-C4' 117.416 8.685 . 0.609 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 301' ' ' ' C' . . . . . 0.808 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.989 3 O4'-C4'-C3' 92.545 -9.254 . 0.241 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 302' ' ' ' U' . . . . . 0.808 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.862 2 O4'-C4'-C3' 93.802 -8.356 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 303' ' ' ' G' . . . . . 0.583 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 O4'-C4'-C3' 90.675 -10.589 . 0.411 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 304' ' ' ' U' . . . . . 0.463 " H2'" ' C8 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 93.663 -8.455 . 0.254 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 305' ' ' ' A' . . . . . 0.463 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 C1'-O4'-C4' 116.965 8.184 . 0.082 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 306' ' ' ' U' . . . . . 0.476 ' C2 ' ' O ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C3'--C2' 1.504 -1.866 2 O4'-C4'-C3' 92.131 -9.549 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 307' ' ' ' C' . . . . . 0.699 " H1'" ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.502 -2.056 2 C1'-O4'-C4' 117.096 8.329 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 308' ' ' ' U' . . . . . 0.407 ' C5 ' ' HB1' ' A' ' 27' ' ' ALA . . . . . . . . 0 C3'--C2' 1.505 -1.845 0 C3'-C2'-O2' 102.705 -3.653 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 309' ' ' ' G' . . . . . 0.496 ' N2 ' ' O ' ' A' ' 22' ' ' ASP . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 116.938 8.154 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 310' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 91.792 -9.791 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 93.0 -8.929 . 0.197 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 312' ' ' ' G' . . . . . 0.493 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.555 7.728 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 313' ' ' ' G' . . . . . 0.501 " H2'" ' C8 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 117.073 8.304 . 0.256 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 314' ' ' ' A' . . . . . 0.65 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 117.137 8.375 . 0.724 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 315' ' ' ' C' . . . . . 0.65 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.3 -12.721 2 C1'-O4'-C4' 119.493 10.992 . 0.01 1b . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 316' ' ' ' C' . . . . . 0.531 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.013 2 O4'-C4'-C3' 93.167 -8.81 . 0.06 4g . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 317' ' ' ' C' . . . . . 0.645 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.047 2 C1'-O4'-C4' 117.235 8.483 . 0.505 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 318' ' ' ' G' . . . . . 0.805 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 C1'-O4'-C4' 117.291 8.546 . 0.683 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.494 3.396 2 O4'-C4'-C3' 92.184 -9.512 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 320' ' ' ' G' . . . . . 0.805 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.945 3 C1'-O4'-C4' 114.972 5.969 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 321' ' ' ' G' . . . . . 0.601 ' C2 ' ' O2 ' ' B' ' 345' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.049 3 O4'-C4'-C3' 92.181 -9.514 . 0.097 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 322' ' ' ' U' . . . . . 0.527 ' C4 ' ' C5 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.984 3 O4'-C4'-C3' 92.595 -9.218 . 0.146 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 323' ' ' ' G' . . . . . 0.588 ' C6 ' ' C2 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.484 2.592 2 C1'-O4'-C4' 116.383 7.536 . 0.101 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 324' ' ' ' G' . . . . . 0.678 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 116.529 7.699 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 325' ' ' ' A' . . . . . 0.678 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 117.29 8.545 . 0.659 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 326' ' ' ' A' . . . . . 0.634 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 C1'-O4'-C4' 116.699 7.888 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.014 2 C1'-O4'-C4' 117.073 8.303 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 328' ' ' ' U' . . . . . 0.591 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.037 2 C1'-O4'-C4' 117.224 8.471 . 0.9 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 329' ' ' ' G' . . . . . 0.591 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.091 3 O4'-C4'-C3' 90.529 -10.694 . 0.674 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 330' ' ' ' U' . . . . . 0.407 ' C5 ' ' C5 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.198 2 C1'-O4'-C4' 117.374 8.637 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 331' ' ' ' G' . . . . . 0.646 ' C6 ' ' N6 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.972 3 C1'-O4'-C4' 117.262 8.513 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 332' ' ' ' A' . . . . . 0.646 ' N6 ' ' C6 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 116.902 8.114 . 0.116 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 333' ' ' ' A' . . . . . 0.592 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 C1'-O4'-C4' 117.122 8.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 334' ' ' ' G' . . . . . 0.592 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.995 2 C1'-O4'-C4' 116.775 7.972 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 335' ' ' ' U' . . . . . 0.608 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 C1'-O4'-C4' 117.234 8.482 . 0.193 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 336' ' ' ' U' . . . . . 0.608 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.97 3 O4'-C4'-C3' 93.633 -8.476 . 0.462 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 337' ' ' ' C' . . . . . 0.625 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 O4'-C4'-C3' 90.985 -10.368 . 0.367 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 338' ' ' ' G' . . . . . 0.822 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.877 1 O4'-C4'-C3' 90.368 -10.809 . 0.693 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 339' ' ' ' G' . . . . . 0.822 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 99.538 -11.18 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' B' B ' 340' ' ' ' A' . . . . . 0.797 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.949 3 O4'-C4'-C3' 92.127 -9.552 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 341' ' ' ' A' . . . . . 0.797 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 117.244 8.493 . 0.529 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 C1'-O4'-C4' 116.751 7.946 . 0.337 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 343' ' ' ' A' . . . . . 0.588 ' C2 ' ' C6 ' ' B' ' 323' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 117.041 8.268 . 0.794 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 344' ' ' ' C' . . . . . 0.527 ' C4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 O4'-C4'-C3' 92.218 -9.487 . 0.424 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 345' ' ' ' C' . . . . . 0.601 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 92.834 -9.047 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 346' ' ' ' C' . . . . . 0.667 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.017 2 O4'-C4'-C3' 91.082 -10.299 . 0.583 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 347' ' ' ' G' . . . . . 0.645 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 93.652 -8.463 . 0.313 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 348' ' ' ' G' . . . . . 0.658 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 O4'-C4'-C3' 91.993 -9.648 . 0.141 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 349' ' ' ' C' . . . . . 0.658 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 90.909 -10.422 . 0.016 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 350' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 3 O4'-C4'-C3' 91.632 -9.906 . 0.483 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 117.152 8.392 . 0.413 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 O4'-C4'-C3' 93.045 -8.896 . 0.528 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 O4'-C4'-C3' 94.171 -8.092 . 0.393 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 354' ' ' ' A' . . . . . 0.476 ' C6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.082 3 O4'-C4'-C3' 93.214 -8.776 . 0.7 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 355' ' ' ' C' . . . . . 0.476 ' N4 ' ' C6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.484 -8.583 . 0.689 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 356' ' ' ' C' . . . . . 0.434 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 94.24 -8.043 . 0.183 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 357' ' ' ' C' . . . . . 0.444 ' C4 ' ' C5 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.807 2 C1'-O4'-C4' 116.251 7.39 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 358' ' ' ' U' . . . . . 0.444 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 93.188 -8.794 . 0.348 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 359' ' ' ' G' . . . . . 0.476 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 O4'-C4'-C3' 93.844 -8.326 . 0.232 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 360' ' ' ' G' . . . . . 0.476 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.847 2 O4'-C4'-C3' 93.841 -8.328 . 0.199 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 361' ' ' ' G' . . . . . 0.469 ' C8 ' " H2'" ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 C1'-O4'-C4' 117.088 8.32 . 0.36 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 362' ' ' ' A' . . . . . 0.475 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 117.187 8.43 . 0.448 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 363' ' ' ' G' . . . . . 0.475 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 117.211 8.457 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 364' ' ' ' A' . . . . . 0.41 ' C8 ' ' H8 ' ' B' ' 365' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.855 2 O4'-C4'-C3' 91.877 -9.731 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 365' ' ' ' G' . . . . . 0.41 ' H8 ' ' C8 ' ' B' ' 364' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.013 1 C1'-O4'-C4' 104.72 -5.422 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.876 2 C1'-O4'-C4' 116.313 7.459 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 C1'-O4'-C4' 117.1 8.333 . 0.042 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 368' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 O4'-C4'-C3' 93.665 -8.454 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 369' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 O4'-C4'-C3' 93.969 -8.236 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 370' ' ' ' C' . . . . . 0.495 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 O4'-C4'-C3' 92.79 -9.079 . 0.436 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 371' ' ' ' A' . . . . . 0.495 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.793 7.992 . 0.25 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 C1'-O4'-C4' 117.184 8.427 . 0.624 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 373' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 C1'-O4'-C4' 116.956 8.173 . 0.134 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 374' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.859 3 O4'-C4'-C3' 94.21 -8.064 . 0.603 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 92.469 -9.308 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.803 2 O4'-C4'-C3' 92.708 -9.137 . 0.71 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.6 m -146.51 139.54 25.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.449 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m -138.99 178.28 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.97 147.43 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -179.71 144.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.955 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.99 135.37 5.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.098 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -142.49 179.08 7.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 110.283 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.0 156.23 21.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? 177.25 155.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.237 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.47 128.4 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.17 125.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -176.2 153.03 1.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.0 122.47 1.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.38 134.15 2.51 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -137.14 162.95 32.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -129.08 120.36 25.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -167.84 138.36 2.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.532 ' CB ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -84.87 22.7 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -49.34 -47.6 47.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.973 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.35 35.27 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.775 HD21 ' HB2' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -65.01 96.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.541 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.6 OUTLIER -80.06 146.02 32.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 0.9 OUTLIER -64.25 -7.9 10.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.96 18.48 10.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.491 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -113.8 174.2 6.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.517 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 49.2 t -101.02 129.14 46.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 108.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.775 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -91.16 30.87 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.624 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 14.3 t80 -129.76 -58.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.4 p -103.91 -12.73 16.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 52.3 mmtt 79.22 21.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.66 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -73.66 172.39 11.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.66 116.2 20.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.6 -54.02 0.77 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.463 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 17.4 p-80 -102.04 157.95 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.561 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 3.6 m0 -98.89 160.94 13.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 108.047 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.711 ' HB1' " H1'" ' B' ' 307' ' ' ' C' . . . -58.64 -32.89 69.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.464 ' CD ' " H5'" ' B' ' 376' ' ' ' U' . 13.3 mmtt -64.91 -9.84 24.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.69 32.69 2.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.466 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 34.4 t -73.41 133.99 80.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 108.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.5 Cg_endo -74.89 2.21 6.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.624 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -83.83 -28.12 28.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -43.93 102.3 0.28 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 41' ' ' LYS . 18.3 Cg_endo -74.98 172.36 16.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.544 1.812 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 179.56 60.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.424 ' HA2' ' C ' ' A' ' 46' ' ' PRO . . . 53.37 169.75 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.424 ' C ' ' HA2' ' A' ' 45' ' ' GLY . 18.3 Cg_endo -74.98 -169.34 7.26 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.995 0.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.05 116.91 26.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.79 106.7 0.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.87 15.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.5 99.89 1.71 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 173.56 14.31 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -139.27 164.93 28.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.0 m -100.25 149.54 23.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 t -142.64 169.43 17.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.927 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.719 HD12 ' P ' ' B' ' 296' ' ' ' U' . 16.1 tp -92.99 -66.46 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 tp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.878 8.087 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 277' ' ' ' G' . . . . . 0.427 " H2'" " O4'" ' B' ' 278' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 93.03 -8.907 . 0.682 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 278' ' ' ' C' . . . . . 0.427 " O4'" " H2'" ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 117.063 8.293 . 0.36 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 93.697 -8.431 . 0.601 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.033 2 C1'-O4'-C4' 117.238 8.486 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 281' ' ' ' U' . . . . . 0.45 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 O4'-C4'-C3' 93.375 -8.66 . 0.607 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 282' ' ' AP7 . . . . . 0.45 ' N6 ' ' O4 ' ' B' ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . 0.432 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -2.0 2 C1'-O4'-C4' 117.133 8.369 . 0.207 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . 0.493 ' C2 ' ' N2 ' ' B' ' 298' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.844 2 C1'-O4'-C4' 117.239 8.487 . 0.411 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 285' ' ' ' A' . . . . . 0.718 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 117.226 8.474 . 0.357 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 286' ' ' ' G' . . . . . 0.425 ' C5 ' ' C6 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 92.633 -9.191 . 0.939 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 287' ' ' ' U' . . . . . 0.586 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 O4'-C4'-C3' 92.89 -9.007 . 0.587 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 288' ' ' ' U' . . . . . 0.587 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 O4'-C4'-C3' 92.296 -9.431 . 0.592 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 289' ' ' ' G' . . . . . 0.587 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 O4'-C4'-C3' 92.261 -9.456 . 0.583 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 290' ' ' ' A' . . . . . 0.641 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 C1'-O4'-C4' 116.058 7.175 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 291' ' ' ' G' . . . . . 0.705 ' C5 ' ' C6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 C1'-O4'-C4' 116.826 8.029 . 0.055 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 292' ' ' ' A' . . . . . 0.705 ' C6 ' ' C5 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 117.145 8.383 . 0.257 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 293' ' ' ' A' . . . . . 0.616 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.037 2 C1'-O4'-C4' 117.177 8.419 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . 0.448 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.014 2 C1'-O4'-C4' 117.29 8.545 . 0.809 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 295' ' ' ' C' . . . . . 0.692 H5'' HD11 ' A' ' 55' ' ' LEU . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 93.5 -8.571 . 0.181 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 296' ' ' ' U' . . . . . 0.719 ' P ' HD12 ' A' ' 55' ' ' LEU . . . . . . . . 0 C3'--C2' 1.503 -2.036 2 O4'-C4'-C3' 91.286 -10.153 . 0.535 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 297' ' ' ' A' . . . . . 0.718 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.023 2 O4'-C4'-C3' 92.876 -9.017 . 0.655 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . 0.493 ' N2 ' ' C2 ' ' B' ' 284' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.906 3 O4'-C4'-C3' 92.534 -9.262 . 0.308 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 299' ' ' ' C' . . . . . 0.616 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.001 3 O4'-C4'-C3' 92.089 -9.579 . 0.367 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 300' ' ' ' U' . . . . . 0.616 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.778 2 C1'-O4'-C4' 117.613 8.903 . 0.651 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 301' ' ' ' C' . . . . . 0.798 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.009 3 O4'-C4'-C3' 91.483 -10.012 . 0.162 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 302' ' ' ' U' . . . . . 0.798 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 93.86 -8.314 . 0.048 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 303' ' ' ' G' . . . . . 0.58 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 O4'-C4'-C3' 91.101 -10.285 . 0.675 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 304' ' ' ' U' . . . . . 0.521 ' C6 ' " H2'" ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 O4'-C4'-C3' 93.414 -8.633 . 0.233 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 305' ' ' ' A' . . . . . 0.445 ' C8 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 116.914 8.127 . 0.018 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 306' ' ' ' U' . . . . . 0.53 " O2'" ' OP1' ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.939 1 O4'-C4'-C3' 91.804 -9.783 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 7a' 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' B' B ' 307' ' ' ' C' . . . . . 0.711 " H1'" ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.155 8.394 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 308' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 1 O4'-C4'-C3' 90.275 -10.875 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 309' ' ' ' G' . . . . . 0.541 ' N2 ' ' O ' ' A' ' 22' ' ' ASP . . . . . . . . 0 C3'--C2' 1.505 -1.854 1 O4'-C4'-C3' 91.126 -10.267 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 310' ' ' ' G' . . . . . 0.595 ' O6 ' ' C4 ' ' B' ' 376' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.359 0 C3'-C2'-O2' 102.711 -3.651 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 311' ' ' ' C' . . . . . 0.4 ' P ' ' OP1' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 O4'-C4'-C3' 93.611 -8.492 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 312' ' ' ' G' . . . . . 0.66 ' C6 ' ' C6 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 116.384 7.538 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 313' ' ' ' G' . . . . . 0.66 ' C6 ' ' C6 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.997 2 C1'-O4'-C4' 117.184 8.427 . 0.1 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 314' ' ' ' A' . . . . . 0.615 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.801 8.002 . 0.739 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 315' ' ' ' C' . . . . . 0.615 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.297 -13.031 2 C1'-O4'-C4' 119.608 11.12 . 0.021 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 1 C1'-O4'-C4' 115.718 6.798 . 0.182 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 317' ' ' ' C' . . . . . 0.653 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 117.004 8.227 . 0.367 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 318' ' ' ' G' . . . . . 0.805 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 117.163 8.403 . 0.579 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 92.12 -9.557 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 320' ' ' ' G' . . . . . 0.805 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.9 3 C1'-O4'-C4' 115.299 6.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 321' ' ' ' G' . . . . . 0.685 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.996 3 O4'-C4'-C3' 92.243 -9.469 . 0.125 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 322' ' ' ' U' . . . . . 0.685 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.02 3 O4'-C4'-C3' 91.033 -10.334 . 0.421 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 323' ' ' ' G' . . . . . 0.495 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 116.55 7.722 . 0.356 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 324' ' ' ' G' . . . . . 0.736 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.919 0 C3'-C2'-O2' 102.683 -3.661 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 325' ' ' ' A' . . . . . 0.736 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.976 2 C1'-O4'-C4' 117.442 8.713 . 0.091 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 326' ' ' ' A' . . . . . 0.648 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.478 2.086 2 C1'-O4'-C4' 116.504 7.671 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.863 8.07 . 0.587 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 328' ' ' ' U' . . . . . 0.625 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 O4'-C4'-C3' 93.866 -8.31 . 0.855 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 329' ' ' ' G' . . . . . 0.625 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 91.046 -10.325 . 0.548 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 1 O4'-C4'-C3' 91.095 -10.289 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 331' ' ' ' G' . . . . . 0.609 ' OP2' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.952 3 O4'-C4'-C3' 92.412 -9.349 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 332' ' ' ' A' . . . . . 0.415 ' C8 ' ' N2 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 94.033 -8.191 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 333' ' ' ' A' . . . . . 0.547 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.787 7.985 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 334' ' ' ' G' . . . . . 0.547 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 C1'-O4'-C4' 116.808 8.008 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 335' ' ' ' U' . . . . . 0.611 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 117.229 8.477 . 0.543 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 336' ' ' ' U' . . . . . 0.611 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.941 3 O4'-C4'-C3' 94.01 -8.207 . 0.496 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 337' ' ' ' C' . . . . . 0.625 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 90.975 -10.375 . 0.359 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 338' ' ' ' G' . . . . . 0.827 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 90.38 -10.8 . 0.413 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 339' ' ' ' G' . . . . . 0.827 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.942 2 C1'-O4'-C4' 99.303 -11.442 OUTLIER-EPSILON 0.01 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 340' ' ' ' A' . . . . . 0.796 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.48 2.234 2 O4'-C4'-C3' 92.489 -9.293 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 341' ' ' ' A' . . . . . 0.796 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.055 2 C1'-O4'-C4' 117.23 8.478 . 0.229 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 116.637 7.819 . 0.655 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 343' ' ' ' A' . . . . . 0.619 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 116.888 8.097 . 0.76 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 344' ' ' ' C' . . . . . 0.619 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 O4'-C4'-C3' 93.692 -8.434 . 0.551 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 345' ' ' ' C' . . . . . 0.604 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.057 2 O4'-C4'-C3' 92.225 -9.482 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 346' ' ' ' C' . . . . . 0.724 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 1 O4'-C4'-C3' 91.055 -10.318 . 0.14 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 347' ' ' ' G' . . . . . 0.728 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 O4'-C4'-C3' 94.244 -8.04 . 0.193 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 348' ' ' ' G' . . . . . 0.728 ' C5 ' ' C6 ' ' B' ' 347' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 O4'-C4'-C3' 91.862 -9.741 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 349' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.926 3 O4'-C4'-C3' 91.745 -9.825 . 0.058 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 350' ' ' ' C' . . . . . 0.421 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.967 3 O4'-C4'-C3' 91.922 -9.699 . 0.462 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 117.165 8.406 . 0.434 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.006 3 O4'-C4'-C3' 91.846 -9.753 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 353' ' ' ' A' . . . . . 0.493 " H2'" " O4'" ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.993 3 C1'-O4'-C4' 117.17 8.411 . 0.298 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 354' ' ' ' A' . . . . . 0.5 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.848 2 C1'-O4'-C4' 117.02 8.244 . 0.617 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 355' ' ' ' C' . . . . . 0.5 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 93.183 -8.798 . 0.809 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 356' ' ' ' C' . . . . . 0.441 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 92.926 -8.981 . 0.097 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 357' ' ' ' C' . . . . . 0.448 ' N4 ' ' O4 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 C1'-O4'-C4' 116.327 7.475 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 358' ' ' ' U' . . . . . 0.448 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 O4'-C4'-C3' 94.027 -8.195 . 0.374 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 359' ' ' ' G' . . . . . 0.483 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.053 2 O4'-C4'-C3' 92.943 -8.969 . 0.458 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 360' ' ' ' G' . . . . . 0.483 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 C1'-O4'-C4' 116.898 8.108 . 0.132 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 361' ' ' ' G' . . . . . 0.492 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 O4'-C4'-C3' 93.604 -8.497 . 0.342 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 362' ' ' ' A' . . . . . 0.492 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.873 2 C1'-O4'-C4' 117.203 8.448 . 0.513 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 363' ' ' ' G' . . . . . 0.468 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 117.196 8.44 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 364' ' ' ' A' . . . . . 0.442 " H3'" ' N3 ' ' B' ' 364' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.87 3 O4'-C4'-C3' 91.837 -9.759 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 1 C1'-O4'-C4' 113.755 4.616 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 117.19 8.433 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.022 2 C1'-O4'-C4' 116.935 8.15 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 368' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 O4'-C4'-C3' 93.042 -8.899 . 0.417 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 369' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 C1'-O4'-C4' 116.957 8.174 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 370' ' ' ' C' . . . . . 0.419 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.069 2 O4'-C4'-C3' 93.286 -8.724 . 0.073 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 371' ' ' ' A' . . . . . 0.419 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 116.91 8.122 . 0.461 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 117.259 8.509 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 373' ' ' ' G' . . . . . 0.459 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 C1'-O4'-C4' 116.937 8.153 . 0.046 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 374' ' ' ' G' . . . . . 0.459 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 117.066 8.296 . 0.196 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 375' ' ' ' U' . . . . . 0.426 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.002 3 O4'-C4'-C3' 93.516 -8.56 . 0.133 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 376' ' ' ' U' . . . . . 0.595 ' C4 ' ' O6 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 117.008 8.231 . 0.231 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 51.4 m -118.85 153.33 34.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.0 p -85.89 161.03 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.243 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -117.64 149.25 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.96 167.9 20.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.43 -153.5 18.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.561 1.163 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -171.71 145.18 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 0.754 . . . . 0.0 110.28 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.73 163.31 30.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -155.93 159.36 39.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -123.85 -175.26 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.222 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.91 112.56 3.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.88 -160.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.64 138.09 6.34 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.13 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.15 -156.35 14.23 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 61.34 154.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 0.805 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -171.14 144.69 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.37 126.16 7.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 1.06 ' O ' ' N ' ' A' ' 20' ' ' GLN . 8.5 mtt85 -86.22 67.93 10.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.572 ' C ' ' O ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -25.21 65.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.454 1.096 . . . . 0.0 110.015 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 1.06 ' N ' ' O ' ' A' ' 18' ' ' ARG . 5.2 pm0 48.84 44.65 22.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.719 HD11 ' HB2' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -47.15 110.42 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.487 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.4 OUTLIER -76.25 150.82 36.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.604 1.19 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 16.0 mmt180 -69.43 -3.93 16.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' OE1' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -127.66 23.37 6.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.434 ' NE2' ' CG ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -111.7 174.89 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 43.1 t -109.76 135.44 50.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 108.261 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.719 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -94.48 32.15 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.605 ' CE2' ' OP2' ' B' ' 307' ' ' ' C' . 15.0 t80 -134.24 -58.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.994 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.0 p -101.58 -17.72 16.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 108.318 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.604 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 18.3 mmtt 79.16 25.98 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.669 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.5 mt-10 -84.55 177.56 8.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -127.91 128.48 45.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.09 -45.22 1.15 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.654 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 37.8 p-80 -114.21 164.78 13.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.598 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -101.16 169.05 9.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 108.023 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.62 ' HB2' ' O6 ' ' B' ' 309' ' ' ' G' . . . -58.35 -41.07 83.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -71.99 -1.93 16.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.24 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.19 16.15 7.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.654 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 22.1 t -68.11 132.51 91.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 108.233 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.0 0.46 8.88 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.536 1.808 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.514 ' HE2' ' C4 ' ' B' ' 306' ' ' ' U' . 1.4 mtpt -95.09 -20.22 19.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 121.43 64.08 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 69.25 5.59 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 136.39 39.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.76 -174.1 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 124.66 10.35 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.011 -2.495 . . . . 0.0 110.942 0.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.49 154.67 51.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.229 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.56 105.91 0.23 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 65.44 6.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 118.31 43.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 110.24 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 143.33 28.99 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.565 1.824 . . . . 0.0 110.986 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -113.5 146.72 39.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 t -167.32 159.55 12.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.376 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.18 156.37 42.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.98 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.5 tp -174.09 150.38 1.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.5 tp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.063 2 C1'-O4'-C4' 116.908 8.12 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 O4'-C4'-C3' 93.585 -8.511 . 0.412 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.094 2 O4'-C4'-C3' 93.18 -8.8 . 0.506 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 93.155 -8.818 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 117.12 8.355 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 281' ' ' ' U' . . . . . 0.454 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -2.039 2 O4'-C4'-C3' 93.376 -8.66 . 0.281 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 282' ' ' AP7 . . . . . 0.549 ' C2 ' ' O2 ' ' B' ' 300' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . 0.407 " O4'" " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 117.141 8.379 . 0.458 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 117.245 8.495 . 0.291 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 285' ' ' ' A' . . . . . 0.464 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 C1'-O4'-C4' 117.278 8.531 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 286' ' ' ' G' . . . . . 0.437 ' O6 ' ' N6 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 92.602 -9.213 . 0.373 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 287' ' ' ' U' . . . . . 0.495 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.979 2 O4'-C4'-C3' 92.944 -8.969 . 0.612 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 288' ' ' ' U' . . . . . 0.516 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 O4'-C4'-C3' 91.867 -9.738 . 0.422 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 289' ' ' ' G' . . . . . 0.516 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 O4'-C4'-C3' 91.658 -9.887 . 0.553 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 290' ' ' ' A' . . . . . 0.641 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 115.918 7.02 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 291' ' ' ' G' . . . . . 0.646 " H2'" ' C4 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.871 2 C1'-O4'-C4' 117.152 8.391 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 292' ' ' ' A' . . . . . 0.646 ' C4 ' " H2'" ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 92.539 -9.258 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 293' ' ' ' A' . . . . . 0.538 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 117.234 8.482 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . 0.459 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 O4'-C4'-C3' 93.987 -8.224 . 0.063 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 295' ' ' ' C' . . . . . 0.459 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 92.683 -9.155 . 0.207 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 92.2 -9.5 . 0.565 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 297' ' ' ' A' . . . . . 0.464 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.913 3 O4'-C4'-C3' 93.433 -8.619 . 0.65 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 O4'-C4'-C3' 93.293 -8.719 . 0.66 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 299' ' ' ' C' . . . . . 0.648 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.054 3 O4'-C4'-C3' 92.064 -9.597 . 0.455 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 300' ' ' ' U' . . . . . 0.653 ' C4 ' ' N4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.466 2 C1'-O4'-C4' 117.311 8.568 . 0.513 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 301' ' ' ' C' . . . . . 0.837 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.057 3 O4'-C4'-C3' 93.034 -8.905 . 0.173 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 302' ' ' ' U' . . . . . 0.837 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.861 2 C1'-O4'-C4' 117.095 8.328 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 303' ' ' ' G' . . . . . 0.51 " O4'" " H2'" ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 O4'-C4'-C3' 92.766 -9.096 . 0.192 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 304' ' ' ' U' . . . . . 0.419 " C3'" H5'' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.006 2 O4'-C4'-C3' 91.814 -9.776 . 0.051 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 305' ' ' ' A' . . . . . 0.419 H5'' " C3'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.958 1 C1'-O4'-C4' 115.37 6.411 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 306' ' ' ' U' . . . . . 0.514 ' C4 ' ' HE2' ' A' ' 41' ' ' LYS . . . . . . . . 0 C3'--C2' 1.503 -1.973 1 O4'-C4'-C3' 91.845 -9.754 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 307' ' ' ' C' . . . . . 0.605 ' OP2' ' CE2' ' A' ' 28' ' ' TYR . . . . . . . . 0 C3'--C2' 1.503 -2.043 2 C1'-O4'-C4' 116.943 8.159 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 308' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 92.374 -9.376 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 309' ' ' ' G' . . . . . 0.62 ' O6 ' ' HB2' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -2.025 1 O4'-C4'-C3' 90.954 -10.39 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 310' ' ' ' G' . . . . . 0.403 ' OP2' " O3'" ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.862 2 O4'-C4'-C3' 92.174 -9.519 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 O4'-C4'-C3' 93.516 -8.56 . 0.331 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 312' ' ' ' G' . . . . . 0.687 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 116.631 7.812 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 313' ' ' ' G' . . . . . 0.692 ' N1 ' ' C2 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.959 2 C1'-O4'-C4' 117.297 8.552 . 0.232 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 314' ' ' ' A' . . . . . 0.692 ' C2 ' ' N1 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.848 2 C1'-O4'-C4' 116.649 7.832 . 0.094 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 315' ' ' ' C' . . . . . 0.675 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.303 -12.505 2 C1'-O4'-C4' 119.502 11.003 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 O4'-C4'-C3' 92.637 -9.188 . 0.308 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 317' ' ' ' C' . . . . . 0.488 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 O4'-C4'-C3' 93.178 -8.801 . 0.476 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 318' ' ' ' G' . . . . . 0.794 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 117.322 8.58 . 0.204 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.489 2.994 2 O4'-C4'-C3' 91.871 -9.735 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 320' ' ' ' G' . . . . . 0.794 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 3 C1'-O4'-C4' 115.001 6.001 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 321' ' ' ' G' . . . . . 0.567 ' C5 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.977 3 O4'-C4'-C3' 92.36 -9.386 . 0.083 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 322' ' ' ' U' . . . . . 0.466 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.976 3 O4'-C4'-C3' 91.499 -10.001 . 0.5 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 323' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 116.776 7.973 . 0.323 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 324' ' ' ' G' . . . . . 0.635 ' N1 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.998 0 C3'-C2'-O2' 102.686 -3.66 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 325' ' ' ' A' . . . . . 0.635 ' C6 ' ' N1 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.681 2 C1'-O4'-C4' 117.331 8.59 . 0.044 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 326' ' ' ' A' . . . . . 0.634 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.644 7.826 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.842 2 C1'-O4'-C4' 116.714 7.905 . 0.371 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 328' ' ' ' U' . . . . . 0.522 ' N3 ' ' C5 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.87 2 C1'-O4'-C4' 116.884 8.093 . 0.794 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 329' ' ' ' G' . . . . . 0.592 ' C5 ' ' OP2' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.045 3 O4'-C4'-C3' 91.014 -10.347 . 0.357 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 1 O4'-C4'-C3' 90.86 -10.457 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 331' ' ' ' G' . . . . . 0.638 ' C2 ' ' N1 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.843 3 C1'-O4'-C4' 117.154 8.394 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 332' ' ' ' A' . . . . . 0.638 ' N1 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 116.882 8.091 . 0.016 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 333' ' ' ' A' . . . . . 0.568 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 C1'-O4'-C4' 116.244 7.382 . 0.1 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 334' ' ' ' G' . . . . . 0.568 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 116.591 7.768 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 335' ' ' ' U' . . . . . 0.625 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.871 2 C1'-O4'-C4' 117.23 8.478 . 0.418 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 336' ' ' ' U' . . . . . 0.625 ' C4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.065 2 C1'-O4'-C4' 117.192 8.436 . 0.321 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 337' ' ' ' C' . . . . . 0.697 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.844 2 C1'-O4'-C4' 117.315 8.572 . 0.123 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 338' ' ' ' G' . . . . . 0.697 ' N7 ' ' C4 ' ' B' ' 337' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 O4'-C4'-C3' 90.378 -10.801 . 0.31 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 339' ' ' ' G' . . . . . 0.673 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 100.482 -10.131 OUTLIER-EPSILON 0.014 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 340' ' ' ' A' . . . . . 0.57 ' N7 ' ' N3 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.481 2.332 2 O4'-C4'-C3' 92.675 -9.161 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 341' ' ' ' A' . . . . . 0.495 ' C5 ' ' C6 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.334 2 C1'-O4'-C4' 117.449 8.721 . 0.407 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 C1'-O4'-C4' 116.068 7.187 . 0.032 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 343' ' ' ' A' . . . . . 0.507 ' N6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.047 2 C1'-O4'-C4' 117.222 8.468 . 0.692 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 344' ' ' ' C' . . . . . 0.507 ' N4 ' ' N6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 O4'-C4'-C3' 92.834 -9.047 . 0.455 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 345' ' ' ' C' . . . . . 0.65 ' C4 ' ' C5 ' ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 117.183 8.426 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 346' ' ' ' C' . . . . . 0.65 ' C5 ' ' C4 ' ' B' ' 345' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.882 1 O4'-C4'-C3' 90.303 -10.855 . 0.55 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 347' ' ' ' G' . . . . . 0.618 ' C6 ' ' C6 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 O4'-C4'-C3' 93.665 -8.453 . 0.172 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 348' ' ' ' G' . . . . . 0.618 ' C6 ' ' C6 ' ' B' ' 347' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 O4'-C4'-C3' 91.876 -9.731 . 0.058 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 349' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 O4'-C4'-C3' 91.294 -10.147 . 0.063 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 350' ' ' ' C' . . . . . 0.453 ' O2 ' ' N2 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 3 O4'-C4'-C3' 90.939 -10.4 . 0.59 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 117.121 8.357 . 0.411 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.946 3 O4'-C4'-C3' 92.332 -9.406 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.945 2 C1'-O4'-C4' 117.1 8.333 . 0.323 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 354' ' ' ' A' . . . . . 0.496 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 117.263 8.514 . 0.557 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 355' ' ' ' C' . . . . . 0.496 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 92.873 -9.019 . 0.8 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 356' ' ' ' C' . . . . . 0.451 ' C6 ' " H2'" ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.842 2 O4'-C4'-C3' 92.974 -8.947 . 0.514 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 357' ' ' ' C' . . . . . 0.417 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 116.241 7.379 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 358' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.896 2 O4'-C4'-C3' 94.17 -8.093 . 0.383 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 359' ' ' ' G' . . . . . 0.413 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 92.997 -8.931 . 0.028 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 360' ' ' ' G' . . . . . 0.451 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 93.373 -8.662 . 0.303 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 361' ' ' ' G' . . . . . 0.451 ' C8 ' " H2'" ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 117.046 8.273 . 0.583 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 362' ' ' ' A' . . . . . 0.469 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 117.228 8.475 . 0.266 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 363' ' ' ' G' . . . . . 0.469 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 C1'-O4'-C4' 117.2 8.445 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 0 C3'-C2'-O2' 102.719 -3.649 . 0.025 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 1 C1'-O4'-C4' 115.64 6.711 . 0.015 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 0 C3'-C2'-O2' 102.674 -3.664 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 117.264 8.516 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 368' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.041 2 O4'-C4'-C3' 91.984 -9.655 . 0.292 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 369' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 93.513 -8.562 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.022 2 O4'-C4'-C3' 93.097 -8.86 . 0.369 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 C1'-O4'-C4' 116.904 8.116 . 0.294 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.014 2 C1'-O4'-C4' 117.221 8.468 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 373' ' ' ' G' . . . . . 0.485 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 117.238 8.486 . 0.04 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 374' ' ' ' G' . . . . . 0.485 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 C1'-O4'-C4' 116.886 8.096 . 0.281 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 375' ' ' ' U' . . . . . 0.412 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 O4'-C4'-C3' 92.378 -9.373 . 0.545 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 376' ' ' ' U' . . . . . 0.403 " O3'" ' OP2' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 93.291 -8.721 . 0.173 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -165.49 151.65 9.7 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.1 p -168.03 157.09 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -151.4 155.62 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -171.8 151.0 2.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.042 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.3 -167.74 14.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -130.39 154.78 47.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 0.729 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.97 160.59 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -172.86 155.79 3.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.79 149.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.251 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.66 132.04 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.83 155.44 19.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.241 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.64 140.86 4.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.57 1.169 . . . . 0.0 111.054 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.54 53.84 0.62 Allowed Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 179.87 159.72 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -65.45 166.85 9.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.99 126.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.577 ' C ' ' H ' ' A' ' 20' ' ' GLN . 1.2 mtt85 -85.67 38.63 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.578 ' O ' ' CB ' ' A' ' 20' ' ' GLN . 3.2 t 69.64 -39.35 0.43 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.981 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.578 ' CB ' ' O ' ' A' ' 19' ' ' SER . 0.8 OUTLIER 152.73 31.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.515 HD21 ' HB2' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -37.9 103.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.521 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.5 OUTLIER -82.16 147.78 28.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.205 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.496 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 21.3 tpp180 -66.87 -5.7 13.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -127.45 27.03 5.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.444 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -120.76 171.81 8.33 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 42.3 t -100.8 132.43 46.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.515 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -93.09 26.82 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.431 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 32.8 t80 -129.87 -56.97 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 29.0 p -105.55 -16.23 14.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 108.347 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 4.3 mmtt 91.26 -23.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.544 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 45.0 mt-10 -40.58 143.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 136.67 39.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 128.84 -48.52 0.97 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 32.0 p-80 -113.09 169.84 8.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.645 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -106.82 165.36 11.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.135 . . . . 0.0 107.987 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.579 ' HB1' " H1'" ' B' ' 307' ' ' ' C' . . . -58.93 -36.88 75.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -69.77 -5.35 24.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.02 20.29 4.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.556 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 21.2 t -67.91 132.92 92.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.332 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.4 Cg_endo -75.07 0.97 8.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.463 ' HE2' ' C5 ' ' B' ' 306' ' ' ' U' . 1.1 mtpt -91.36 -20.7 21.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.42 ' CD ' ' NH1' ' A' ' 44' ' ' ARG . 7.3 mttt -48.89 105.73 0.54 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 81.33 2.24 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.484 1.781 . . . . 0.0 111.037 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.431 ' O ' ' CG ' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -173.26 59.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.52 -177.41 30.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.601 1.188 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -60.07 0.09 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.943 -2.524 . . . . 0.0 111.02 0.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 177.84 161.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.355 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.12 79.58 0.04 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 171.14 18.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.401 ' NH1' ' O2 ' ' B' ' 281' ' ' ' U' . 1.9 ttt180 -138.67 81.74 22.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 127.76 10.94 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.76 155.23 29.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.4 m -145.95 120.88 9.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 110.444 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.57 137.15 4.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.184 . . . . 0.0 110.022 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.35 165.24 18.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . 0.648 ' C6 ' ' C5 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 116.717 7.907 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 277' ' ' ' G' . . . . . 0.648 ' C5 ' ' C6 ' ' B' ' 276' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 O4'-C4'-C3' 91.464 -10.026 . 0.841 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 92.18 -9.514 . 0.531 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . 0.537 ' C6 ' ' C6 ' ' B' ' 280' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 92.449 -9.322 . 0.583 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 280' ' ' ' G' . . . . . 0.537 ' C6 ' ' C6 ' ' B' ' 279' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.028 2 C1'-O4'-C4' 117.258 8.509 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 281' ' ' ' U' . . . . . 0.447 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.975 2 O4'-C4'-C3' 93.673 -8.448 . 0.308 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 282' ' ' AP7 . . . . . 0.469 ' C2 ' ' O2 ' ' B' ' 300' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . 0.447 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.919 3 O4'-C4'-C3' 93.343 -8.683 . 0.426 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.872 8.08 . 0.216 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 285' ' ' ' A' . . . . . 0.51 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 C1'-O4'-C4' 117.117 8.352 . 0.348 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 286' ' ' ' G' . . . . . 0.411 ' C5 ' ' C6 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 93.228 -8.766 . 0.469 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 287' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 O4'-C4'-C3' 92.488 -9.294 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 288' ' ' ' U' . . . . . 0.596 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 92.649 -9.18 . 0.831 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 289' ' ' ' G' . . . . . 0.596 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.953 3 O4'-C4'-C3' 91.767 -9.81 . 0.248 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 290' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.925 2 O4'-C4'-C3' 92.612 -9.206 . 0.081 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 291' ' ' ' G' . . . . . 0.762 ' C2 ' ' C2 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.921 2 C1'-O4'-C4' 116.917 8.13 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 292' ' ' ' A' . . . . . 0.762 ' C2 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 O4'-C4'-C3' 93.345 -8.682 . 0.038 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 293' ' ' ' A' . . . . . 0.404 ' C6 ' ' N2 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.012 2 C1'-O4'-C4' 116.864 8.071 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . 0.448 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.878 2 C1'-O4'-C4' 117.268 8.52 . 0.76 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 295' ' ' ' C' . . . . . 0.448 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 94.084 -8.154 . 0.278 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 296' ' ' ' U' . . . . . 0.444 " H2'" " O4'" ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 117.202 8.447 . 0.483 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 297' ' ' ' A' . . . . . 0.51 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 93.746 -8.396 . 0.436 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 3 O4'-C4'-C3' 93.439 -8.615 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 299' ' ' ' C' . . . . . 0.602 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.913 3 O4'-C4'-C3' 92.186 -9.51 . 0.27 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 300' ' ' ' U' . . . . . 0.602 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.41 -3.548 2 C1'-O4'-C4' 117.711 9.012 . 0.549 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 301' ' ' ' C' . . . . . 0.817 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.926 3 O4'-C4'-C3' 92.192 -9.505 . 0.115 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 302' ' ' ' U' . . . . . 0.817 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 93.349 -8.679 . 0.362 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 303' ' ' ' G' . . . . . 0.437 " O4'" " H2'" ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 92.518 -9.273 . 0.327 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 304' ' ' ' U' . . . . . 0.723 " O2'" ' OP1' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.048 2 C1'-O4'-C4' 115.954 7.06 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' B' B ' 305' ' ' ' A' . . . . . 0.723 ' OP1' " O2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.932 1 O4'-C4'-C3' 90.975 -10.375 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 306' ' ' ' U' . . . . . 0.488 " O2'" ' OP1' ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.884 2 O4'-C4'-C3' 92.371 -9.378 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' B' B ' 307' ' ' ' C' . . . . . 0.579 " H1'" ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -2.035 2 O4'-C4'-C3' 93.544 -8.54 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 308' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.035 2 O4'-C4'-C3' 92.256 -9.46 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 309' ' ' ' G' . . . . . 0.521 ' N2 ' ' O ' ' A' ' 22' ' ' ASP . . . . . . . . 0 C3'--C2' 1.505 -1.859 1 O4'-C4'-C3' 90.999 -10.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 310' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 2 O4'-C4'-C3' 92.447 -9.323 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.922 2 O4'-C4'-C3' 93.351 -8.678 . 0.331 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 312' ' ' ' G' . . . . . 0.543 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 C1'-O4'-C4' 115.997 7.108 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 313' ' ' ' G' . . . . . 0.648 ' N1 ' ' C2 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.507 2 C1'-O4'-C4' 116.864 8.071 . 0.069 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 314' ' ' ' A' . . . . . 0.662 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 116.469 7.633 . 0.06 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 315' ' ' ' C' . . . . . 0.662 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.304 -12.384 2 C1'-O4'-C4' 119.445 10.939 . 0.01 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 316' ' ' ' C' . . . . . 0.468 " H2'" " O4'" ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.964 1 C1'-O4'-C4' 115.761 6.845 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 317' ' ' ' C' . . . . . 0.468 " O4'" " H2'" ' B' ' 316' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.213 2 O4'-C4'-C3' 93.722 -8.413 . 0.148 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 318' ' ' ' G' . . . . . 0.914 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.799 2 O4'-C4'-C3' 91.633 -9.905 . 0.715 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 319' ' ' ' U' . . . . . 0.612 H5'' " H3'" ' B' ' 318' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.524 5.937 2 O4'-C4'-C3' 88.781 -11.942 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' B' B ' 320' ' ' ' G' . . . . . 0.914 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.86 3 C5'-C4'-O4' 100.334 -6.333 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 321' ' ' ' G' . . . . . 0.678 ' C5 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.989 3 O4'-C4'-C3' 92.018 -9.63 . 0.068 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 322' ' ' ' U' . . . . . 0.431 ' C4 ' ' C5 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.936 3 O4'-C4'-C3' 91.694 -9.861 . 0.292 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 323' ' ' ' G' . . . . . 0.458 ' C6 ' ' C2 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.405 7.562 . 0.337 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 324' ' ' ' G' . . . . . 0.704 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.891 0 C3'-C2'-O2' 102.712 -3.651 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 325' ' ' ' A' . . . . . 0.704 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 117.169 8.41 . 0.132 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 326' ' ' ' A' . . . . . 0.605 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 C1'-O4'-C4' 116.677 7.864 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.831 2 C1'-O4'-C4' 116.723 7.914 . 0.637 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 328' ' ' ' U' . . . . . 0.653 ' C4 ' ' N7 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.418 8.686 . 0.851 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 329' ' ' ' G' . . . . . 0.653 ' N7 ' ' C4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 91.335 -10.118 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 330' ' ' ' U' . . . . . 0.417 ' C5 ' ' C5 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.541 2 C1'-O4'-C4' 117.508 8.787 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 331' ' ' ' G' . . . . . 0.718 ' C2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.977 3 C1'-O4'-C4' 117.272 8.525 . 0.134 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 332' ' ' ' A' . . . . . 0.718 ' C2 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 C1'-O4'-C4' 117.331 8.59 . 0.122 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 333' ' ' ' A' . . . . . 0.599 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 C1'-O4'-C4' 117.069 8.299 . 0.033 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 334' ' ' ' G' . . . . . 0.599 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 C1'-O4'-C4' 116.833 8.037 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 335' ' ' ' U' . . . . . 0.611 ' C4 ' ' O4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.505 -1.854 2 C1'-O4'-C4' 117.236 8.484 . 0.221 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 336' ' ' ' U' . . . . . 0.611 ' O4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.966 3 O4'-C4'-C3' 93.84 -8.328 . 0.451 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 337' ' ' ' C' . . . . . 0.616 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 91.11 -10.279 . 0.439 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 338' ' ' ' G' . . . . . 0.806 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.039 1 O4'-C4'-C3' 90.098 -11.002 . 0.354 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 339' ' ' ' G' . . . . . 0.806 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.839 2 C1'-O4'-C4' 99.351 -11.388 OUTLIER-EPSILON 0.01 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 340' ' ' ' A' . . . . . 0.811 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.036 3 O4'-C4'-C3' 93.225 -8.768 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 341' ' ' ' A' . . . . . 0.811 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.94 2 C1'-O4'-C4' 117.431 8.702 . 0.518 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 116.632 7.813 . 0.657 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 343' ' ' ' A' . . . . . 0.607 ' C5 ' ' C4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.005 2 C1'-O4'-C4' 117.122 8.357 . 0.681 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 344' ' ' ' C' . . . . . 0.607 ' C4 ' ' C5 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 O4'-C4'-C3' 93.731 -8.406 . 0.538 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 345' ' ' ' C' . . . . . 0.508 ' N4 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.483 2.48 2 O4'-C4'-C3' 94.122 -8.127 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 346' ' ' ' C' . . . . . 0.501 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 91.788 -9.794 . 0.664 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 347' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 O4'-C4'-C3' 92.867 -9.023 . 0.474 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 348' ' ' ' G' . . . . . 0.661 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 O4'-C4'-C3' 93.389 -8.651 . 0.651 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 349' ' ' ' C' . . . . . 0.661 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 O4'-C4'-C3' 91.803 -9.784 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 350' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.053 3 O4'-C4'-C3' 91.147 -10.252 . 0.295 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 117.292 8.546 . 0.294 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 O4'-C4'-C3' 92.458 -9.316 . 0.398 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 2 O4'-C4'-C3' 94.107 -8.138 . 0.346 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 354' ' ' ' A' . . . . . 0.528 ' C6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 116.989 8.21 . 0.318 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 355' ' ' ' C' . . . . . 0.528 ' N4 ' ' C6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.914 2 O4'-C4'-C3' 93.792 -8.363 . 0.586 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 356' ' ' ' C' . . . . . 0.434 ' C6 ' " H2'" ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 O4'-C4'-C3' 94.186 -8.081 . 0.628 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 357' ' ' ' C' . . . . . 0.463 ' C4 ' ' C5 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.943 2 C1'-O4'-C4' 115.962 7.069 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 358' ' ' ' U' . . . . . 0.463 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 O4'-C4'-C3' 91.67 -9.879 . 0.098 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 359' ' ' ' G' . . . . . 0.508 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.883 2 O4'-C4'-C3' 91.952 -9.677 . 0.463 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 360' ' ' ' G' . . . . . 0.508 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.929 2 O4'-C4'-C3' 93.8 -8.357 . 0.331 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 361' ' ' ' G' . . . . . 0.472 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 94.416 -7.917 . 0.37 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 362' ' ' ' A' . . . . . 0.472 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.998 2 C1'-O4'-C4' 116.609 7.788 . 0.528 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 363' ' ' ' G' . . . . . 0.45 " C5'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.563 2 C1'-O4'-C4' 117.284 8.538 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.997 1 C1'-O4'-C4' 105.303 -4.775 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.956 1 C5'-C4'-O4' 103.408 -4.137 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.075 1 C1'-O4'-C4' 115.228 6.253 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 117.284 8.538 . 0.618 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 368' ' ' ' C' . . . . . 0.443 " H2'" ' C6 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 92.33 -9.407 . 0.112 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 369' ' ' ' C' . . . . . 0.443 ' C6 ' " H2'" ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.983 2 O4'-C4'-C3' 93.912 -8.277 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 O4'-C4'-C3' 92.494 -9.29 . 0.14 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 116.834 8.038 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 O4'-C4'-C3' 93.94 -8.257 . 0.709 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 373' ' ' ' G' . . . . . 0.475 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 C1'-O4'-C4' 116.912 8.124 . 0.701 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 374' ' ' ' G' . . . . . 0.503 ' C6 ' ' C4 ' ' B' ' 375' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 O4'-C4'-C3' 94.158 -8.102 . 0.221 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 375' ' ' ' U' . . . . . 0.503 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 O4'-C4'-C3' 91.598 -9.93 . 0.837 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.027 2 O4'-C4'-C3' 92.568 -9.237 . 0.468 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 m 63.19 137.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.443 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.1 m -110.76 151.2 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 63.6 t -110.25 -77.56 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.9 p -61.43 136.91 58.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 152.47 131.82 1.73 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -125.95 -72.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 110.351 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.0 mttm 52.02 99.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -87.76 152.45 22.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -161.36 162.0 30.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.55 106.5 3.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.454 1.096 . . . . 0.0 110.34 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 177.99 128.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.58 171.4 31.91 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.68 154.98 26.18 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.76 115.25 9.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 110.255 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 5.1 tmt_? 179.28 142.0 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.423 ' N ' ' HD3' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -160.34 -78.67 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 0.0 110.344 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 1.103 ' O ' ' N ' ' A' ' 20' ' ' GLN . 2.1 mtt180 36.39 61.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.256 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 0.5 OUTLIER -33.03 61.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.036 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 1.103 ' N ' ' O ' ' A' ' 18' ' ' ARG . 41.1 mt-30 67.7 56.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.579 HD12 ' HG2' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -73.61 101.2 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.464 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.2 OUTLIER -76.41 150.02 36.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -65.84 -9.41 28.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -123.15 27.36 7.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 32' ' ' LYS . 1.9 mt-30 -119.0 170.84 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 37.9 t -98.33 134.11 41.8 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.471 1.107 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.527 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -93.3 21.49 6.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.595 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 22.7 t80 -125.32 -63.85 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 111.037 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.749 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 28.4 p -96.49 -20.63 18.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 108.324 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.4 OUTLIER 95.73 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.749 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -41.35 143.18 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -101.16 142.36 32.71 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.202 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.39 -46.74 1.06 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 16.8 p-80 -113.96 155.85 25.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -90.49 165.96 13.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 108.05 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.614 ' HB2' ' O6 ' ' B' ' 309' ' ' ' G' . . . -58.56 -39.97 81.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.413 ' NZ ' " O2'" ' B' ' 307' ' ' ' C' . 0.1 OUTLIER -69.95 -6.29 32.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.12 19.22 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.574 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 35.5 t -72.32 130.61 85.88 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 108.293 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 0.57 8.69 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.595 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 1.5 ttmt -82.63 -16.85 46.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.413 ' NZ ' ' N3 ' ' B' ' 307' ' ' ' C' . 9.6 mttt -47.06 104.87 0.43 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.57 ' HB3' ' C6 ' ' B' ' 276' ' ' ' G' . 18.4 Cg_endo -75.0 172.48 16.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.481 ' CZ ' ' P ' ' B' ' 276' ' ' ' G' . 6.5 mtm180 -137.3 135.52 37.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.343 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.424 ' HA2' ' N ' ' A' ' 47' ' ' ARG . . . -70.61 -175.85 19.67 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 119.24 5.84 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.023 -0.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' N ' ' HA2' ' A' ' 45' ' ' GLY . 1.6 tpm_? -150.22 88.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.08 113.96 3.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.437 1.086 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.65 34.14 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.477 1.777 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.58 88.17 0.12 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -45.62 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.416 1.746 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 176.38 136.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.8 m -108.56 -72.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.374 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.8 p -139.3 147.4 41.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.168 . . . . 0.0 110.056 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mp -83.8 67.85 9.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 tt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.27 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . 0.635 ' N1 ' ' C5 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.068 2 C1'-O4'-C4' 117.304 8.56 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 277' ' ' ' G' . . . . . 0.635 ' C5 ' ' N1 ' ' B' ' 276' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.904 2 O4'-C4'-C3' 91.657 -9.888 . 0.716 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.828 2 O4'-C4'-C3' 92.709 -9.136 . 0.416 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 93.081 -8.871 . 0.635 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 280' ' ' ' G' . . . . . 0.415 ' C2 ' ' O2 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.873 2 C1'-O4'-C4' 117.143 8.381 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 281' ' ' ' U' . . . . . 0.447 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 O4'-C4'-C3' 93.233 -8.762 . 0.279 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 282' ' ' AP7 . . . . . 0.472 " H2'" ' C6 ' ' B' ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . 0.472 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -2.007 2 O4'-C4'-C3' 94.066 -8.167 . 0.441 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.845 2 C1'-O4'-C4' 117.234 8.483 . 0.213 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 285' ' ' ' A' . . . . . 0.424 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.894 2 C1'-O4'-C4' 117.275 8.528 . 0.118 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 93.161 -8.814 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 287' ' ' ' U' . . . . . 0.492 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 O4'-C4'-C3' 92.857 -9.031 . 0.662 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 288' ' ' ' U' . . . . . 0.519 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 92.464 -9.311 . 0.611 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 289' ' ' ' G' . . . . . 0.519 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.92 2 O4'-C4'-C3' 92.004 -9.64 . 0.567 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 290' ' ' ' A' . . . . . 0.651 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.05 2 C1'-O4'-C4' 116.014 7.127 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 291' ' ' ' G' . . . . . 0.654 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.232 8.48 . 0.022 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 292' ' ' ' A' . . . . . 0.654 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.038 2 O4'-C4'-C3' 92.41 -9.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 293' ' ' ' A' . . . . . 0.485 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 117.197 8.442 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . 0.433 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 C1'-O4'-C4' 117.052 8.28 . 0.215 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 295' ' ' ' C' . . . . . 0.433 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 O4'-C4'-C3' 93.131 -8.835 . 0.357 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 91.897 -9.716 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 297' ' ' ' A' . . . . . 0.424 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.062 2 O4'-C4'-C3' 93.514 -8.562 . 0.648 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 93.247 -8.752 . 0.64 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 299' ' ' ' C' . . . . . 0.618 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.988 3 O4'-C4'-C3' 91.985 -9.654 . 0.563 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 300' ' ' ' U' . . . . . 0.634 ' C4 ' ' N4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.566 2 C1'-O4'-C4' 117.378 8.642 . 0.575 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 301' ' ' ' C' . . . . . 0.814 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.891 3 O4'-C4'-C3' 92.826 -9.053 . 0.166 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 302' ' ' ' U' . . . . . 0.814 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 117.36 8.623 . 0.016 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 303' ' ' ' G' . . . . . 0.49 " O4'" " H2'" ' B' ' 302' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.533 2 O4'-C4'-C3' 92.75 -9.107 . 0.101 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 304' ' ' ' U' . . . . . 0.459 " O4'" " H2'" ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.891 2 C1'-O4'-C4' 116.194 7.327 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 305' ' ' ' A' . . . . . 0.496 ' N1 ' ' N1 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.033 2 O4'-C4'-C3' 91.611 -9.921 . 0.019 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 306' ' ' ' U' . . . . . 0.555 " O2'" ' OP1' ' B' ' 307' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 92.458 -9.316 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' B' B ' 307' ' ' ' C' . . . . . 0.555 ' OP1' " O2'" ' B' ' 306' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 93.985 -8.225 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 308' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 O4'-C4'-C3' 92.352 -9.391 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 309' ' ' ' G' . . . . . 0.614 ' O6 ' ' HB2' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -1.985 3 O4'-C4'-C3' 91.886 -9.724 . 0.01 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 310' ' ' ' G' . . . . . 0.507 ' O6 ' ' C4 ' ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 91.418 -10.059 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.867 2 O4'-C4'-C3' 92.214 -9.49 . 0.365 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 312' ' ' ' G' . . . . . 0.57 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.742 7.935 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 313' ' ' ' G' . . . . . 0.587 ' C2 ' ' C2 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.203 2 C1'-O4'-C4' 117.491 8.768 . 0.112 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 314' ' ' ' A' . . . . . 0.669 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 C1'-O4'-C4' 116.79 7.989 . 0.694 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 315' ' ' ' C' . . . . . 0.669 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.303 -12.465 2 C1'-O4'-C4' 119.427 10.918 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 O4'-C4'-C3' 93.806 -8.353 . 0.28 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 317' ' ' ' C' . . . . . 0.443 " H2'" ' C8 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.849 2 O4'-C4'-C3' 93.773 -8.376 . 0.829 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 318' ' ' ' G' . . . . . 0.81 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 117.262 8.513 . 0.287 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.484 2.544 2 O4'-C4'-C3' 92.456 -9.317 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 320' ' ' ' G' . . . . . 0.81 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.851 3 C1'-O4'-C4' 115.025 6.028 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 321' ' ' ' G' . . . . . 0.651 ' C6 ' ' N3 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.9 3 O4'-C4'-C3' 92.383 -9.369 . 0.127 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 322' ' ' ' U' . . . . . 0.651 ' N3 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 90.528 -10.694 . 0.566 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 323' ' ' ' G' . . . . . 0.535 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 116.5 7.667 . 0.347 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 324' ' ' ' G' . . . . . 0.704 ' C2 ' ' C5 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.957 0 C3'-C2'-O2' 102.659 -3.669 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 325' ' ' ' A' . . . . . 0.704 ' C5 ' ' C2 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.214 2 C1'-O4'-C4' 117.362 8.625 . 0.056 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 326' ' ' ' A' . . . . . 0.632 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 C1'-O4'-C4' 116.475 7.639 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 116.811 8.012 . 0.594 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 328' ' ' ' U' . . . . . 0.635 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.04 2 C1'-O4'-C4' 117.173 8.415 . 0.832 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 329' ' ' ' G' . . . . . 0.635 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 O4'-C4'-C3' 92.894 -9.005 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 2 O4'-C4'-C3' 91.549 -9.965 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 331' ' ' ' G' . . . . . 0.546 ' OP2' ' C2 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 O4'-C4'-C3' 94.199 -8.072 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 332' ' ' ' A' . . . . . 0.51 ' N1 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 C1'-O4'-C4' 116.902 8.113 . 0.199 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 333' ' ' ' A' . . . . . 0.532 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.739 7.932 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 334' ' ' ' G' . . . . . 0.532 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.063 2 C1'-O4'-C4' 116.715 7.906 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 335' ' ' ' U' . . . . . 0.595 ' C4 ' ' O4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 117.339 8.599 . 0.647 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 336' ' ' ' U' . . . . . 0.595 ' O4 ' ' C4 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.986 3 O4'-C4'-C3' 93.448 -8.609 . 0.445 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 337' ' ' ' C' . . . . . 0.635 ' O2 ' ' C2 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.044 2 O4'-C4'-C3' 91.059 -10.315 . 0.431 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 338' ' ' ' G' . . . . . 0.813 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.88 2 O4'-C4'-C3' 90.445 -10.754 . 0.622 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 339' ' ' ' G' . . . . . 0.813 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 99.297 -11.448 OUTLIER-EPSILON 0.026 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 340' ' ' ' A' . . . . . 0.805 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.057 2 O4'-C4'-C3' 91.947 -9.681 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 341' ' ' ' A' . . . . . 0.805 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.252 8.502 . 0.257 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.976 3 C1'-O4'-C4' 116.826 8.029 . 0.136 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 343' ' ' ' A' . . . . . 0.538 ' C5 ' ' C4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 116.923 8.136 . 0.619 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 344' ' ' ' C' . . . . . 0.538 ' C4 ' ' C5 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 O4'-C4'-C3' 93.215 -8.775 . 0.399 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 345' ' ' ' C' . . . . . 0.625 ' C4 ' ' C5 ' ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 C1'-O4'-C4' 117.23 8.478 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 346' ' ' ' C' . . . . . 0.627 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.984 1 O4'-C4'-C3' 90.544 -10.683 . 0.417 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 347' ' ' ' G' . . . . . 0.526 ' C8 ' " H2'" ' B' ' 346' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 O4'-C4'-C3' 92.249 -9.465 . 0.261 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 348' ' ' ' G' . . . . . 0.643 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 O4'-C4'-C3' 91.927 -9.695 . 0.199 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 349' ' ' ' C' . . . . . 0.643 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 O4'-C4'-C3' 91.056 -10.317 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 350' ' ' ' C' . . . . . 0.444 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.063 3 O4'-C4'-C3' 90.945 -10.396 . 0.445 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.224 8.471 . 0.429 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 3 O4'-C4'-C3' 92.307 -9.423 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 117.241 8.49 . 0.199 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 354' ' ' ' A' . . . . . 0.489 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.056 2 C1'-O4'-C4' 117.17 8.411 . 0.575 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 355' ' ' ' C' . . . . . 0.489 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.981 2 O4'-C4'-C3' 92.915 -8.99 . 0.68 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 356' ' ' ' C' . . . . . 0.448 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 93.113 -8.848 . 0.055 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 357' ' ' ' C' . . . . . 0.46 ' C4 ' ' C5 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.888 2 C1'-O4'-C4' 116.241 7.379 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 358' ' ' ' U' . . . . . 0.46 ' C5 ' ' C4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 O4'-C4'-C3' 92.914 -8.99 . 0.328 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 359' ' ' ' G' . . . . . 0.503 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.895 2 O4'-C4'-C3' 93.877 -8.302 . 0.128 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 360' ' ' ' G' . . . . . 0.503 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.901 2 C1'-O4'-C4' 117.081 8.312 . 0.149 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 361' ' ' ' G' . . . . . 0.46 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.855 2 C1'-O4'-C4' 117.089 8.321 . 0.323 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 362' ' ' ' A' . . . . . 0.474 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 117.175 8.416 . 0.49 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 363' ' ' ' G' . . . . . 0.474 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 C1'-O4'-C4' 117.19 8.433 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.949 2 O4'-C4'-C3' 93.4 -8.643 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 0 C3'-C2'-O2' 102.7 -3.655 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.971 0 C3'-C2'-O2' 102.71 -3.652 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 117.209 8.455 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 368' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.009 2 O4'-C4'-C3' 92.378 -9.373 . 0.165 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 369' ' ' ' C' . . . . . 0.414 " H2'" " O4'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 93.547 -8.538 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 370' ' ' ' C' . . . . . 0.414 " O4'" " H2'" ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.049 2 O4'-C4'-C3' 92.918 -8.987 . 0.016 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 C1'-O4'-C4' 116.779 7.977 . 0.166 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 O4'-C4'-C3' 93.891 -8.292 . 0.664 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 373' ' ' ' G' . . . . . 0.494 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.951 2 C1'-O4'-C4' 117.182 8.425 . 0.429 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 374' ' ' ' G' . . . . . 0.494 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 O4'-C4'-C3' 93.709 -8.422 . 0.031 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.929 3 O4'-C4'-C3' 93.831 -8.335 . 0.426 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 376' ' ' ' U' . . . . . 0.507 ' C4 ' ' O6 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 C1'-O4'-C4' 117.139 8.377 . 0.647 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.7 p -142.65 87.61 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.461 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 4' ' ' VAL . 31.1 m -61.56 -40.86 88.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' VAL . 30.7 m 37.0 62.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 t -127.39 92.45 3.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.33 -84.13 0.37 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.08 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -168.26 141.28 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 110.359 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.52 173.91 6.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.62 100.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -150.48 165.52 32.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.29 159.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -107.89 168.8 9.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.03 167.16 39.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.77 122.13 2.57 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 64.07 117.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.98 139.14 45.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 19' ' ' SER . 5.5 ttt180 -162.52 79.62 0.5 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.482 1.114 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.735 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER 39.83 26.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 17' ' ' ARG . 26.0 t -45.79 -50.27 14.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.64 35.17 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.735 HD12 ' HB3' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -58.99 112.74 1.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.555 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 1.0 OUTLIER -95.7 150.03 20.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 0.1 OUTLIER -66.4 -5.37 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.213 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.81 29.06 4.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.416 1.072 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -119.2 -177.85 3.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 49.7 t -110.75 134.16 52.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 108.296 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.15 27.02 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.438 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 16.4 t80 -127.52 -63.54 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.697 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 24.3 p -93.18 -14.64 26.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.314 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 40.6 mmtt 75.43 26.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.697 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 2.4 mt-10 -83.57 -177.54 6.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.24 125.25 28.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.64 -45.71 1.1 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.557 1.161 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.611 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 42.8 p-80 -114.12 169.14 9.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.585 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -106.16 166.64 10.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 108.053 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.519 ' CB ' ' O6 ' ' B' ' 309' ' ' ' G' . . . -58.5 -38.82 78.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HE3' ' HB3' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -69.16 -4.95 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -131.62 24.18 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.611 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 29.4 t -71.1 132.9 86.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.02 1.08 8.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.768 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.526 ' CE ' ' O4 ' ' B' ' 306' ' ' ' U' . 0.8 OUTLIER -95.46 -18.48 20.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 41' ' ' LYS . 4.2 mttt -39.91 100.18 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' LYS . 18.4 Cg_endo -74.95 157.58 42.89 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.548 1.815 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -136.91 147.53 46.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.05 -179.1 19.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 165.42 85.95 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.904 0.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.43 51.97 0.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.33 93.28 0.1 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.41 1.068 . . . . 0.0 111.011 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 166.33 29.37 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.518 1.799 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.88 129.24 24.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 155.98 43.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -166.12 126.69 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.1 t -134.9 133.22 39.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.358 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.49 156.6 19.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.983 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.27 171.02 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.45 ' C ' HD23 ' A' ' 56' ' ' LEU . 8.8 tt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.029 2 C1'-O4'-C4' 116.704 7.893 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 277' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 O4'-C4'-C3' 92.428 -9.337 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.502 -2.051 2 C1'-O4'-C4' 116.966 8.185 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.909 2 O4'-C4'-C3' 93.749 -8.394 . 0.645 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.045 2 C1'-O4'-C4' 117.192 8.435 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 281' ' ' ' U' . . . . . 0.451 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 O4'-C4'-C3' 93.31 -8.707 . 0.228 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 282' ' ' AP7 . . . . . 0.451 ' N6 ' ' O4 ' ' B' ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . 0.445 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 117.159 8.399 . 0.457 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 117.262 8.514 . 0.637 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 285' ' ' ' A' . . . . . 0.796 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.872 2 C1'-O4'-C4' 117.165 8.406 . 0.339 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 286' ' ' ' G' . . . . . 0.44 ' C6 ' ' C4 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 93.468 -8.594 . 0.906 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 287' ' ' ' U' . . . . . 0.486 ' C4 ' ' C5 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 93.411 -8.635 . 0.553 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 288' ' ' ' U' . . . . . 0.635 ' C4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.925 1 O4'-C4'-C3' 91.057 -10.317 . 0.857 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 289' ' ' ' G' . . . . . 0.635 ' C6 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 O4'-C4'-C3' 92.067 -9.595 . 0.448 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 290' ' ' ' A' . . . . . 0.423 " H2'" " C5'" ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 117.145 8.384 . 0.01 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 291' ' ' ' G' . . . . . 0.68 " H2'" ' C4 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.977 2 C1'-O4'-C4' 117.381 8.645 . 0.037 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 292' ' ' ' A' . . . . . 0.68 ' C4 ' " H2'" ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.96 2 O4'-C4'-C3' 91.312 -10.134 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 293' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.919 1 C1'-O4'-C4' 114.177 5.085 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . 0.442 ' C5 ' ' C4 ' ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.897 2 C1'-O4'-C4' 116.812 8.014 . 0.095 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 295' ' ' ' C' . . . . . 0.442 ' C4 ' ' C5 ' ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.921 8.135 . 0.412 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 296' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 O4'-C4'-C3' 93.556 -8.531 . 0.681 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 297' ' ' ' A' . . . . . 0.796 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.854 2 O4'-C4'-C3' 93.462 -8.598 . 0.606 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . 0.402 " H2'" " O4'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.969 3 O4'-C4'-C3' 92.832 -9.048 . 0.04 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 299' ' ' ' C' . . . . . 0.529 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.013 3 O4'-C4'-C3' 92.206 -9.495 . 0.568 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 300' ' ' ' U' . . . . . 0.529 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.141 2 C1'-O4'-C4' 117.621 8.913 . 0.316 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 301' ' ' ' C' . . . . . 0.822 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.934 3 O4'-C4'-C3' 92.253 -9.462 . 0.139 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 302' ' ' ' U' . . . . . 0.822 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 C1'-O4'-C4' 117.027 8.252 . 0.068 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 303' ' ' ' G' . . . . . 0.501 ' C5 ' ' C5 ' ' B' ' 304' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.207 2 O4'-C4'-C3' 92.158 -9.53 . 0.179 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 304' ' ' ' U' . . . . . 0.501 ' C5 ' ' C5 ' ' B' ' 303' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.932 1 C1'-O4'-C4' 115.81 6.9 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 305' ' ' ' A' . . . . . 0.406 " O4'" " O3'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 O4'-C4'-C3' 92.504 -9.283 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 306' ' ' ' U' . . . . . 0.526 ' O4 ' ' CE ' ' A' ' 41' ' ' LYS . . . . . . . . 0 C3'--C2' 1.503 -1.956 1 O4'-C4'-C3' 91.833 -9.762 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 307' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 3 C1'-O4'-C4' 117.122 8.357 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 308' ' ' ' U' . . . . . 0.489 ' O4 ' ' CE ' ' A' ' 30' ' ' LYS . . . . . . . . 0 C3'--C2' 1.504 -1.916 3 O4'-C4'-C3' 90.967 -10.381 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 309' ' ' ' G' . . . . . 0.555 ' N2 ' ' O ' ' A' ' 22' ' ' ASP . . . . . . . . 0 C3'--C2' 1.504 -1.913 1 O4'-C4'-C3' 90.121 -10.985 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 310' ' ' ' G' . . . . . 0.493 " C5'" " H3'" ' B' ' 309' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 92.18 -9.514 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 311' ' ' ' C' . . . . . 0.434 ' C6 ' " H2'" ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.011 2 O4'-C4'-C3' 92.796 -9.075 . 0.193 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 312' ' ' ' G' . . . . . 0.498 ' C6 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.911 2 C1'-O4'-C4' 116.304 7.449 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 313' ' ' ' G' . . . . . 0.533 " H2'" ' C8 ' ' B' ' 314' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.171 8.412 . 0.223 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 314' ' ' ' A' . . . . . 0.533 ' C8 ' " H2'" ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.815 2 C1'-O4'-C4' 116.945 8.161 . 0.715 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 315' ' ' ' C' . . . . . 0.522 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.293 -13.356 2 C1'-O4'-C4' 119.606 11.117 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' B' B ' 316' ' ' ' C' . . . . . 0.506 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 116.443 7.604 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 317' ' ' ' C' . . . . . 0.506 ' C6 ' " H2'" ' B' ' 316' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 117.286 8.54 . 0.543 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 318' ' ' ' G' . . . . . 0.765 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.946 2 C1'-O4'-C4' 117.219 8.466 . 0.307 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.494 3.41 2 O4'-C4'-C3' 92.23 -9.479 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 320' ' ' ' G' . . . . . 0.765 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.98 3 C1'-O4'-C4' 114.961 5.956 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 321' ' ' ' G' . . . . . 0.635 ' C5 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.964 3 O4'-C4'-C3' 92.31 -9.422 . 0.062 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 322' ' ' ' U' . . . . . 0.565 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.881 3 O4'-C4'-C3' 91.003 -10.355 . 0.663 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 323' ' ' ' G' . . . . . 0.453 ' C8 ' " H2'" ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.823 8.026 . 0.308 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 324' ' ' ' G' . . . . . 0.664 ' N1 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.879 0 C3'-C2'-O2' 102.704 -3.654 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 325' ' ' ' A' . . . . . 0.664 ' C6 ' ' N1 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.777 2 C1'-O4'-C4' 117.405 8.672 . 0.031 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 326' ' ' ' A' . . . . . 0.59 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 116.495 7.661 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 C1'-O4'-C4' 116.741 7.934 . 0.623 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 328' ' ' ' U' . . . . . 0.614 ' O4 ' ' C6 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.948 2 C1'-O4'-C4' 117.193 8.437 . 0.857 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 329' ' ' ' G' . . . . . 0.614 ' C6 ' ' O4 ' ' B' ' 328' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.954 1 O4'-C4'-C3' 90.115 -10.989 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 1 O4'-C4'-C3' 90.915 -10.418 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 331' ' ' ' G' . . . . . 0.558 ' C2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.06 3 O4'-C4'-C3' 93.522 -8.556 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 332' ' ' ' A' . . . . . 0.558 ' C2 ' ' C2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 94.196 -8.074 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 333' ' ' ' A' . . . . . 0.538 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.025 2 C1'-O4'-C4' 116.694 7.883 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 334' ' ' ' G' . . . . . 0.538 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C1'-O4'-C4' 116.821 8.023 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 335' ' ' ' U' . . . . . 0.641 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.502 -2.048 2 C1'-O4'-C4' 117.197 8.441 . 0.688 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 336' ' ' ' U' . . . . . 0.675 ' C4 ' ' C4 ' ' B' ' 337' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 C1'-O4'-C4' 116.984 8.205 . 0.487 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 337' ' ' ' C' . . . . . 0.675 ' C4 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.984 3 O4'-C4'-C3' 92.113 -9.562 . 0.344 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 338' ' ' ' G' . . . . . 0.75 ' C5 ' ' N7 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.988 1 O4'-C4'-C3' 89.487 -11.438 . 0.192 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 339' ' ' ' G' . . . . . 0.75 ' N7 ' ' C5 ' ' B' ' 338' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.187 -22.165 2 C5'-C4'-O4' 135.266 18.618 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear nobuild full ' B' B ' 340' ' ' ' A' . . . . . 0.823 ' C2 ' ' C4 ' ' B' ' 341' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.973 3 O4'-C4'-C3' 91.522 -9.984 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 341' ' ' ' A' . . . . . 0.823 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.273 2 C1'-O4'-C4' 117.385 8.65 . 0.649 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 116.649 7.832 . 0.29 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 343' ' ' ' A' . . . . . 0.549 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.933 2 C1'-O4'-C4' 117.118 8.353 . 0.766 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 344' ' ' ' C' . . . . . 0.549 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 O4'-C4'-C3' 93.511 -8.564 . 0.601 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 345' ' ' ' C' . . . . . 0.595 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 O4'-C4'-C3' 94.058 -8.173 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 346' ' ' ' C' . . . . . 0.722 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 90.536 -10.689 . 0.065 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 347' ' ' ' G' . . . . . 0.644 ' C6 ' ' C6 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.969 2 O4'-C4'-C3' 93.087 -8.866 . 0.266 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 348' ' ' ' G' . . . . . 0.657 ' N7 ' ' C5 ' ' B' ' 349' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 92.782 -9.084 . 0.062 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 349' ' ' ' C' . . . . . 0.657 ' C5 ' ' N7 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 O4'-C4'-C3' 91.287 -10.152 . 0.022 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 350' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.899 3 O4'-C4'-C3' 91.603 -9.927 . 0.177 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.966 2 C1'-O4'-C4' 117.272 8.524 . 0.371 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 O4'-C4'-C3' 92.445 -9.325 . 0.278 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 353' ' ' ' A' . . . . . 0.461 " H2'" " O4'" ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.239 8.488 . 0.223 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 354' ' ' ' A' . . . . . 0.498 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.851 2 O4'-C4'-C3' 93.684 -8.44 . 0.642 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 355' ' ' ' C' . . . . . 0.498 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.99 2 O4'-C4'-C3' 93.35 -8.679 . 0.674 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 356' ' ' ' C' . . . . . 0.5 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.844 2 O4'-C4'-C3' 92.114 -9.561 . 0.056 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 357' ' ' ' C' . . . . . 0.5 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.505 -1.825 2 C1'-O4'-C4' 116.176 7.307 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 358' ' ' ' U' . . . . . 0.421 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 94.095 -8.146 . 0.346 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 359' ' ' ' G' . . . . . 0.512 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 93.328 -8.695 . 0.307 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 360' ' ' ' G' . . . . . 0.512 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 117.045 8.272 . 0.077 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 361' ' ' ' G' . . . . . 0.482 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 93.953 -8.248 . 0.316 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 362' ' ' ' A' . . . . . 0.482 ' C8 ' " H2'" ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 116.915 8.128 . 0.457 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 363' ' ' ' G' . . . . . 0.741 ' H8 ' " H4'" ' B' ' 363' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.351 -8.467 1 C5'-C4'-O4' 124.483 10.916 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear nobuild full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.921 1 C1'-O4'-C4' 105.222 -4.864 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.003 1 C1'-O4'-C4' 104.855 -5.272 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 117.103 8.336 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 116.67 7.855 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 368' ' ' ' C' . . . . . 0.45 ' C4 ' ' N4 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.987 2 O4'-C4'-C3' 92.96 -8.957 . 0.312 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 369' ' ' ' C' . . . . . 0.45 ' N4 ' ' C4 ' ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.877 2 C1'-O4'-C4' 117.054 8.282 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 370' ' ' ' C' . . . . . 0.411 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.906 2 O4'-C4'-C3' 93.085 -8.868 . 0.047 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 371' ' ' ' A' . . . . . 0.411 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.502 -2.066 2 C1'-O4'-C4' 116.896 8.107 . 0.413 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.908 2 C1'-O4'-C4' 116.942 8.158 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 373' ' ' ' G' . . . . . 0.455 " H2'" ' C8 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 116.877 8.085 . 0.475 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 374' ' ' ' G' . . . . . 0.455 ' C8 ' " H2'" ' B' ' 373' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 O4'-C4'-C3' 93.892 -8.291 . 0.384 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 375' ' ' ' U' . . . . . 0.451 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.882 3 O4'-C4'-C3' 93.801 -8.357 . 0.598 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 92.361 -9.385 . 0.304 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.53 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 1' ' ' ALA . 23.9 p -157.85 135.57 10.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.0 p -175.91 137.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.24 -46.2 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -169.65 153.3 4.96 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 110.044 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.7 -156.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 177.69 152.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.762 . . . . 0.0 110.354 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -102.52 140.31 36.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.396 1.06 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 10' ' ' ASP . 14.8 pt20 -155.27 131.34 10.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 9' ' ' GLN . 35.8 m-20 60.79 145.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 134.1 54.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -55.54 141.28 37.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.12 -107.4 1.19 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.08 160.65 21.64 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.09 160.73 39.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.5 mtt85 -58.34 119.95 7.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.24 149.71 14.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.677 ' O ' ' C ' ' A' ' 19' ' ' SER . 4.2 mtt85 -67.54 78.15 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.248 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.677 ' C ' ' O ' ' A' ' 18' ' ' ARG . 41.6 t 2.23 -79.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.534 ' N ' ' O ' ' A' ' 18' ' ' ARG . 9.5 mt-30 -154.61 46.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.644 ' HB2' ' HB3' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -42.03 100.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.244 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.461 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 0.2 OUTLIER -77.58 151.51 34.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.465 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 0.0 OUTLIER -64.28 -10.12 21.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.9 31.24 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -121.2 132.32 54.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 28' ' ' TYR . 41.7 t -64.34 131.98 48.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.44 1.087 . . . . 0.0 108.33 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.22 33.21 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.593 ' O ' ' C2 ' ' B' ' 306' ' ' ' U' . 5.1 t80 -131.81 -53.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.601 ' SG ' ' HB2' ' A' ' 31' ' ' GLU . 25.5 p -109.13 -13.21 14.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 77.94 23.97 0.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.601 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 26.2 mt-10 -86.43 124.42 32.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -77.42 115.07 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.17 -61.26 0.42 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.59 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 45.3 p-80 -104.94 169.87 8.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 109.63 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.426 ' CZ3' ' C4 ' ' B' ' 309' ' ' ' G' . 5.1 m95 -103.99 166.33 10.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.054 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.668 ' HB1' " H1'" ' B' ' 307' ' ' ' C' . . . -59.52 -36.76 76.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.26 -7.28 35.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.55 21.85 5.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.59 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 23.5 t -70.84 132.49 86.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.323 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.411 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.5 Cg_endo -74.99 0.93 8.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.401 1.737 . . . . 0.0 111.068 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HE2' ' C4 ' ' B' ' 306' ' ' ' U' . 1.8 mtpp -95.11 -20.68 19.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.404 ' NZ ' ' N3 ' ' B' ' 307' ' ' ' C' . 0.0 OUTLIER -42.23 102.88 0.28 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.213 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -72.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.539 1.81 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -178.18 100.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.75 -174.32 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.567 1.167 . . . . 0.0 110.974 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -64.48 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.992 -0.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.42 ' NE ' ' HA ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER 71.56 157.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -153.3 104.96 0.27 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.442 1.089 . . . . 0.0 111.045 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 126.07 9.76 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -130.28 104.61 16.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 114.43 4.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.035 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -58.67 154.4 14.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.1 m -134.91 142.37 46.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t 56.98 95.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.06 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -105.42 174.16 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.358 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . 0.651 ' C5 ' ' N7 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.491 3.187 3 O4'-C4'-C3' 90.193 -10.934 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 277' ' ' ' G' . . . . . 0.651 ' N7 ' ' C5 ' ' B' ' 276' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 O4'-C4'-C3' 91.677 -9.873 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.015 2 O4'-C4'-C3' 93.726 -8.41 . 0.146 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 O4'-C4'-C3' 92.159 -9.529 . 0.556 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 280' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.935 2 C1'-O4'-C4' 117.15 8.389 . 0.052 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 281' ' ' ' U' . . . . . 0.449 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 O4'-C4'-C3' 93.21 -8.779 . 0.288 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 282' ' ' AP7 . . . . . 0.478 ' C2 ' ' O2 ' ' B' ' 300' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . 0.428 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.869 2 C1'-O4'-C4' 117.219 8.465 . 0.424 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . 0.429 ' C2 ' ' N2 ' ' B' ' 298' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.842 2 C1'-O4'-C4' 117.285 8.539 . 0.346 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 285' ' ' ' A' . . . . . 0.781 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.982 2 C1'-O4'-C4' 117.026 8.251 . 0.142 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 286' ' ' ' G' . . . . . 0.599 ' C6 ' ' C4 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.038 2 O4'-C4'-C3' 92.838 -9.045 . 0.717 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 287' ' ' ' U' . . . . . 0.599 ' C4 ' ' C6 ' ' B' ' 286' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 O4'-C4'-C3' 92.453 -9.319 . 0.758 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 288' ' ' ' U' . . . . . 0.533 ' C4 ' ' C4 ' ' B' ' 287' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 91.982 -9.656 . 0.822 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 289' ' ' ' G' . . . . . 0.514 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.992 2 O4'-C4'-C3' 91.787 -9.795 . 0.519 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 290' ' ' ' A' . . . . . 0.601 ' N6 ' ' C2 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.823 2 C1'-O4'-C4' 116.142 7.269 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 291' ' ' ' G' . . . . . 0.646 ' C6 ' ' N6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.91 2 C1'-O4'-C4' 117.308 8.565 . 0.027 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 292' ' ' ' A' . . . . . 0.646 ' N6 ' ' C6 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -2.03 2 O4'-C4'-C3' 92.671 -9.164 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 293' ' ' ' A' . . . . . 0.547 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.913 2 C1'-O4'-C4' 117.265 8.516 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . 0.564 ' C6 ' ' C4 ' ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 94.103 -8.141 . 0.274 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 295' ' ' ' C' . . . . . 0.564 ' C4 ' ' C6 ' ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.012 2 O4'-C4'-C3' 92.939 -8.972 . 0.381 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 296' ' ' ' U' . . . . . 0.422 " H2'" " O4'" ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 C1'-O4'-C4' 117.026 8.251 . 0.688 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 297' ' ' ' A' . . . . . 0.781 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 93.217 -8.774 . 0.513 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . 0.429 ' N2 ' ' C2 ' ' B' ' 284' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.927 3 O4'-C4'-C3' 92.667 -9.166 . 0.307 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 299' ' ' ' C' . . . . . 0.655 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.953 3 O4'-C4'-C3' 92.067 -9.595 . 0.259 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 300' ' ' ' U' . . . . . 0.655 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.677 2 C1'-O4'-C4' 117.396 8.662 . 0.342 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 301' ' ' ' C' . . . . . 0.782 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.922 3 O4'-C4'-C3' 92.469 -9.308 . 0.212 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 302' ' ' ' U' . . . . . 0.782 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 O4'-C4'-C3' 93.856 -8.317 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 303' ' ' ' G' . . . . . 0.581 ' N7 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.889 2 O4'-C4'-C3' 91.471 -10.021 . 0.371 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 304' ' ' ' U' . . . . . 0.401 " H2'" ' N9 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.962 3 O4'-C4'-C3' 91.076 -10.303 . 0.409 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 305' ' ' ' A' . . . . . 0.401 ' N9 ' " H2'" ' B' ' 304' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 117.157 8.397 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 306' ' ' ' U' . . . . . 0.593 ' C2 ' ' O ' ' A' ' 28' ' ' TYR . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 O4'-C4'-C3' 91.9 -9.714 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 307' ' ' ' C' . . . . . 0.668 " H1'" ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 C1'-O4'-C4' 116.865 8.072 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 308' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.369 -9.379 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 309' ' ' ' G' . . . . . 0.465 " O2'" ' NH1' ' A' ' 23' ' ' ARG . . . . . . . . 0 C3'--C2' 1.503 -1.998 3 O4'-C4'-C3' 91.554 -9.962 . 0.01 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 310' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.963 2 O4'-C4'-C3' 92.443 -9.326 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.63 -9.193 . 0.281 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 312' ' ' ' G' . . . . . 0.574 ' N1 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 C1'-O4'-C4' 116.268 7.409 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 313' ' ' ' G' . . . . . 0.574 ' C5 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 C1'-O4'-C4' 116.957 8.174 . 0.22 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 314' ' ' ' A' . . . . . 0.642 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 C1'-O4'-C4' 116.754 7.949 . 0.606 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 315' ' ' ' C' . . . . . 0.642 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.299 -12.826 2 C1'-O4'-C4' 119.552 11.058 . 0.023 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 316' ' ' ' C' . . . . . 0.419 " H2'" ' C6 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.016 2 C1'-O4'-C4' 116.035 7.15 . 0.104 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 317' ' ' ' C' . . . . . 0.643 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.057 2 C1'-O4'-C4' 117.157 8.397 . 0.416 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 318' ' ' ' G' . . . . . 0.797 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 C1'-O4'-C4' 117.325 8.583 . 0.415 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.494 3.429 2 O4'-C4'-C3' 92.516 -9.274 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 320' ' ' ' G' . . . . . 0.797 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.999 3 C1'-O4'-C4' 115.025 6.028 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 321' ' ' ' G' . . . . . 0.596 ' C2 ' ' O2 ' ' B' ' 345' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.975 3 O4'-C4'-C3' 92.403 -9.355 . 0.069 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 322' ' ' ' U' . . . . . 0.586 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.974 2 O4'-C4'-C3' 92.239 -9.472 . 0.282 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 323' ' ' ' G' . . . . . 0.467 " H3'" H5'' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.478 2.067 3 O4'-C4'-C3' 92.837 -9.045 . 0.089 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 324' ' ' ' G' . . . . . 0.725 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.78 1 C1'-O4'-C4' 114.94 5.934 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 325' ' ' ' A' . . . . . 0.725 ' C6 ' ' C6 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.61 2 C1'-O4'-C4' 116.993 8.214 . 0.391 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 326' ' ' ' A' . . . . . 0.659 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.995 2 C1'-O4'-C4' 116.604 7.782 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 327' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 116.845 8.05 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 328' ' ' ' U' . . . . . 0.528 ' N3 ' ' C5 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.433 2 C1'-O4'-C4' 117.518 8.798 . 0.772 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 329' ' ' ' G' . . . . . 0.538 ' N1 ' ' N6 ' ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 O4'-C4'-C3' 90.211 -10.921 . 0.537 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 330' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 2 C1'-O4'-C4' 117.501 8.779 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 331' ' ' ' G' . . . . . 0.664 ' N1 ' ' C6 ' ' B' ' 332' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.38 -6.06 2 C1'-O4'-C4' 118.178 9.532 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' B' B ' 332' ' ' ' A' . . . . . 0.664 ' C6 ' ' N1 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.97 2 C5'-C4'-O4' 101.732 -5.334 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' B' B ' 333' ' ' ' A' . . . . . 0.606 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.887 2 C1'-O4'-C4' 116.948 8.165 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 334' ' ' ' G' . . . . . 0.606 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 C1'-O4'-C4' 116.516 7.684 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 335' ' ' ' U' . . . . . 0.636 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.892 2 C1'-O4'-C4' 117.363 8.626 . 0.38 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 336' ' ' ' U' . . . . . 0.636 ' C4 ' ' N3 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 C1'-O4'-C4' 117.176 8.418 . 0.557 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 337' ' ' ' C' . . . . . 0.676 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.976 2 C1'-O4'-C4' 117.305 8.561 . 0.163 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 338' ' ' ' G' . . . . . 0.688 ' C6 ' ' C8 ' ' B' ' 339' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.874 2 O4'-C4'-C3' 90.373 -10.805 . 0.232 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 339' ' ' ' G' . . . . . 0.688 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.859 2 C1'-O4'-C4' 100.574 -10.029 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' B' B ' 340' ' ' ' A' . . . . . 0.552 ' N7 ' ' N3 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.477 2.038 3 O4'-C4'-C3' 92.539 -9.258 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 341' ' ' ' A' . . . . . 0.534 ' C4 ' ' C2 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -2.034 2 C1'-O4'-C4' 117.367 8.63 . 0.157 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.008 2 C1'-O4'-C4' 116.81 8.012 . 0.221 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 343' ' ' ' A' . . . . . 0.548 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 117.184 8.427 . 0.649 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 344' ' ' ' C' . . . . . 0.548 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.011 3 O4'-C4'-C3' 93.135 -8.832 . 0.428 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 345' ' ' ' C' . . . . . 0.596 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 94.023 -8.198 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 346' ' ' ' C' . . . . . 0.739 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.903 2 O4'-C4'-C3' 92.334 -9.405 . 0.068 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 347' ' ' ' G' . . . . . 0.493 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.984 2 O4'-C4'-C3' 93.706 -8.424 . 0.508 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 348' ' ' ' G' . . . . . 0.643 ' N2 ' ' C2 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.93 2 O4'-C4'-C3' 91.945 -9.682 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 349' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 90.737 -10.545 . 0.056 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 350' ' ' ' C' . . . . . 0.418 ' N3 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.955 2 O4'-C4'-C3' 91.682 -9.87 . 0.585 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.87 2 C1'-O4'-C4' 117.251 8.501 . 0.399 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 352' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.023 2 O4'-C4'-C3' 92.402 -9.356 . 0.613 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 353' ' ' ' A' . . . . . 0.432 " H2'" ' C8 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.926 2 O4'-C4'-C3' 94.009 -8.208 . 0.216 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 354' ' ' ' A' . . . . . 0.495 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.965 3 O4'-C4'-C3' 93.839 -8.329 . 0.646 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 355' ' ' ' C' . . . . . 0.495 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 O4'-C4'-C3' 92.589 -9.222 . 0.57 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 356' ' ' ' C' . . . . . 0.453 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 O4'-C4'-C3' 93.969 -8.237 . 0.317 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 357' ' ' ' C' . . . . . 0.453 ' C6 ' " H2'" ' B' ' 356' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.961 2 C1'-O4'-C4' 116.2 7.333 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 358' ' ' ' U' . . . . . 0.441 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.001 2 O4'-C4'-C3' 93.138 -8.83 . 0.37 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 359' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.947 2 C1'-O4'-C4' 117.3 8.556 . 0.283 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 360' ' ' ' G' . . . . . 0.415 " H2'" ' C8 ' ' B' ' 361' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 116.89 8.1 . 0.531 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 361' ' ' ' G' . . . . . 0.468 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.958 2 C1'-O4'-C4' 116.898 8.109 . 0.269 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 362' ' ' ' A' . . . . . 0.477 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.937 2 C1'-O4'-C4' 117.242 8.492 . 0.478 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 363' ' ' ' G' . . . . . 0.477 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.865 2 C1'-O4'-C4' 117.191 8.435 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.969 1 C1'-O4'-C4' 104.72 -5.422 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.97 1 C1'-O4'-C4' 105.367 -4.703 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.948 1 C1'-O4'-C4' 105.1 -5.0 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.972 2 C1'-O4'-C4' 116.584 7.76 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 368' ' ' ' C' . . . . . 0.462 ' C4 ' ' N4 ' ' B' ' 369' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.953 2 O4'-C4'-C3' 94.001 -8.214 . 0.503 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 369' ' ' ' C' . . . . . 0.462 ' N4 ' ' C4 ' ' B' ' 368' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.004 2 C1'-O4'-C4' 117.107 8.341 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 370' ' ' ' C' . . . . . 0.489 " H2'" ' C8 ' ' B' ' 371' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 93.325 -8.696 . 0.029 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 371' ' ' ' A' . . . . . 0.489 ' C8 ' " H2'" ' B' ' 370' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.89 2 C1'-O4'-C4' 116.787 7.986 . 0.25 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.902 2 C1'-O4'-C4' 117.162 8.402 . 0.777 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 373' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.968 2 C1'-O4'-C4' 117.149 8.388 . 0.24 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 374' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.989 3 O4'-C4'-C3' 93.855 -8.318 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 375' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.938 2 O4'-C4'-C3' 91.844 -9.754 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 376' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 O4'-C4'-C3' 92.839 -9.044 . 0.455 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.1 p -129.36 -162.63 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.5 m -120.83 -39.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 69.0 t 61.87 116.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -105.11 152.43 22.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.039 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.69 -178.21 48.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -129.37 163.48 25.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 110.285 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.87 -173.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -134.78 162.87 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.29 169.38 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -126.24 -60.04 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -179.09 166.46 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.331 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.62 -142.2 5.47 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.578 1.174 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 154.72 165.57 14.15 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -159.41 -57.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 0.776 . . . . 0.0 110.21 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -58.4 -170.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 19' ' ' SER . 1.0 OUTLIER -44.23 168.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 1.081 ' O ' ' N ' ' A' ' 20' ' ' GLN . 11.7 mtt85 -69.4 58.59 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.518 ' O ' ' CG ' ' A' ' 20' ' ' GLN . 30.3 t 36.45 -61.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 1.081 ' N ' ' O ' ' A' ' 18' ' ' ARG . 2.2 mt-30 -179.56 53.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.734 HD11 ' HB2' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -53.24 94.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' O ' ' N2 ' ' B' ' 309' ' ' ' G' . 6.1 t0 -77.62 157.4 30.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.436 ' NH1' " O2'" ' B' ' 309' ' ' ' G' . 2.5 mmm180 -65.62 -5.91 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -126.93 26.93 6.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -114.17 -175.94 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.8 t -113.91 137.93 51.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 108.316 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.734 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -99.12 26.4 5.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.619 ' CE1' ' HG3' ' A' ' 41' ' ' LYS . 2.2 t80 -127.54 -57.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 25.8 p -102.07 -24.17 13.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 3.3 mmtt 88.63 20.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.493 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 30.6 mt-10 -79.81 167.33 20.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.38 128.21 53.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.32 -45.7 1.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.654 ' CD2' ' HA ' ' A' ' 39' ' ' CYS . 19.2 p-80 -111.85 156.39 22.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 0.75 . . . . 0.0 109.547 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -93.77 167.23 11.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 108.005 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.736 ' HB2' ' O6 ' ' B' ' 309' ' ' ' G' . . . -56.69 -45.43 81.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.442 ' HE2' " H4'" ' B' ' 376' ' ' ' U' . 0.0 OUTLIER -69.56 -4.55 19.57 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.65 5.17 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.654 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 15.5 t -60.41 134.66 91.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.293 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.07 0.84 8.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.558 1.82 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.619 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -125.55 25.28 7.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.357 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.94 115.57 62.3 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 167.78 26.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' NE ' " O2'" ' B' ' 356' ' ' ' C' . 0.0 OUTLIER -114.47 99.43 7.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.86 174.61 46.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -171.08 8.88 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.021 -0.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -118.27 61.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.25 134.02 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.127 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 165.83 30.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.6 147.62 33.96 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 164.07 33.99 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.575 1.829 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -137.48 169.36 17.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -147.44 147.29 30.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.29 170.4 21.38 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.418 1.074 . . . . 0.0 110.032 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.1 tp -148.24 163.49 36.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.505 -1.854 2 O4'-C4'-C3' 93.305 -8.711 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 277' ' ' ' G' . . . . . 0.582 ' N1 ' ' C2 ' ' B' ' 305' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 91.938 -9.687 . 0.665 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 278' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.893 2 C1'-O4'-C4' 117.058 8.287 . 0.728 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.761 7.957 . 0.575 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 280' ' ' ' G' . . . . . 0.579 ' C2 ' ' O2 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.883 2 C1'-O4'-C4' 116.984 8.204 . 0.181 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 281' ' ' ' U' . . . . . 0.457 ' O4 ' ' N6 ' ' B' ' 282' ' ' AP7 . . . . . . . . 0 O4'--C4' 1.43 -1.928 2 O4'-C4'-C3' 92.778 -9.087 . 0.307 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 282' ' ' AP7 . . . . . 0.457 ' N6 ' ' O4 ' ' B' ' 281' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . 0.443 ' C6 ' " H2'" ' B' ' 282' ' ' AP7 . . . . . . . . 0 C3'--C2' 1.504 -1.905 2 C1'-O4'-C4' 117.245 8.495 . 0.174 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.912 2 C1'-O4'-C4' 117.255 8.506 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 285' ' ' ' A' . . . . . 0.803 ' C2 ' ' C2 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.916 2 C1'-O4'-C4' 117.247 8.497 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 286' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.952 2 O4'-C4'-C3' 92.887 -9.01 . 0.438 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 287' ' ' ' U' . . . . . 0.479 ' C4 ' ' C4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.035 2 O4'-C4'-C3' 92.183 -9.512 . 0.707 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 288' ' ' ' U' . . . . . 0.59 ' O4 ' ' C6 ' ' B' ' 289' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.999 2 O4'-C4'-C3' 92.351 -9.392 . 0.517 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 289' ' ' ' G' . . . . . 0.59 ' C6 ' ' O4 ' ' B' ' 288' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -2.026 2 O4'-C4'-C3' 93.919 -8.272 . 0.423 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 290' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 115.824 6.915 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 291' ' ' ' G' . . . . . 0.796 ' C5 ' ' C6 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.019 2 C1'-O4'-C4' 116.807 8.008 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 292' ' ' ' A' . . . . . 0.796 ' C6 ' ' C5 ' ' B' ' 291' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 117.081 8.312 . 0.302 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 293' ' ' ' A' . . . . . 0.423 ' C8 ' ' C8 ' ' B' ' 292' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.95 2 C1'-O4'-C4' 117.128 8.365 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . 0.447 " H2'" " O4'" ' B' ' 295' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.988 2 C1'-O4'-C4' 117.221 8.467 . 0.739 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 295' ' ' ' C' . . . . . 0.447 " O4'" " H2'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 O4'-C4'-C3' 94.004 -8.212 . 0.28 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 296' ' ' ' U' . . . . . 0.422 " H2'" ' C8 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.98 2 O4'-C4'-C3' 91.708 -9.851 . 0.423 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 297' ' ' ' A' . . . . . 0.803 ' C2 ' ' C2 ' ' B' ' 285' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.917 2 O4'-C4'-C3' 92.949 -8.965 . 0.648 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . 0.519 ' C6 ' ' N6 ' ' B' ' 297' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.88 3 O4'-C4'-C3' 91.961 -9.671 . 0.38 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 299' ' ' ' C' . . . . . 0.622 " H2'" ' C6 ' ' B' ' 300' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.966 3 O4'-C4'-C3' 92.188 -9.508 . 0.441 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 300' ' ' ' U' . . . . . 0.622 ' C6 ' " H2'" ' B' ' 299' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.977 2 C1'-O4'-C4' 117.517 8.797 . 0.592 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 301' ' ' ' C' . . . . . 0.81 ' C4 ' ' C4 ' ' B' ' 302' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.952 3 O4'-C4'-C3' 92.821 -9.056 . 0.104 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 302' ' ' ' U' . . . . . 0.81 ' C4 ' ' C4 ' ' B' ' 301' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.967 2 C1'-O4'-C4' 117.338 8.597 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 303' ' ' ' G' . . . . . 0.461 " O4'" " H2'" ' B' ' 302' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.389 2 O4'-C4'-C3' 93.932 -8.263 . 0.398 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 304' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.999 1 C1'-O4'-C4' 115.491 6.545 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 305' ' ' ' A' . . . . . 0.582 ' C2 ' ' N1 ' ' B' ' 277' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.949 3 C1'-O4'-C4' 116.846 8.052 . 0.203 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 306' ' ' ' U' . . . . . 0.562 " H2'" ' CD1' ' A' ' 28' ' ' TYR . . . . . . . . 0 C3'--C2' 1.503 -1.957 2 O4'-C4'-C3' 92.024 -9.626 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 307' ' ' ' C' . . . . . 0.478 " H4'" ' O ' ' A' ' 27' ' ' ALA . . . . . . . . 0 C3'--C2' 1.503 -1.962 2 C1'-O4'-C4' 116.744 7.937 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 308' ' ' ' U' . . . . . 0.424 ' C2 ' H5'' ' B' ' 308' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.931 0 C3'-C2'-O2' 102.768 -3.632 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 309' ' ' ' G' . . . . . 0.736 ' O6 ' ' HB2' ' A' ' 36' ' ' ALA . . . . . . . . 0 C3'--C2' 1.504 -1.928 2 C1'-O4'-C4' 116.827 8.03 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 310' ' ' ' G' . . . . . 0.511 ' C8 ' " H3'" ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.915 2 O4'-C4'-C3' 91.634 -9.904 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 311' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.964 2 O4'-C4'-C3' 92.626 -9.196 . 0.311 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 312' ' ' ' G' . . . . . 0.596 ' N1 ' ' C5 ' ' B' ' 313' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 116.179 7.31 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 313' ' ' ' G' . . . . . 0.596 ' C5 ' ' N1 ' ' B' ' 312' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.978 2 C1'-O4'-C4' 116.937 8.152 . 0.191 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 314' ' ' ' A' . . . . . 0.648 ' N7 ' ' C4 ' ' B' ' 315' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.888 2 C1'-O4'-C4' 116.641 7.823 . 0.554 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 315' ' ' ' C' . . . . . 0.648 ' C4 ' ' N7 ' ' B' ' 314' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.296 -13.121 2 C1'-O4'-C4' 119.603 11.115 . 0.01 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 316' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.011 1 C1'-O4'-C4' 115.691 6.768 . 0.096 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 317' ' ' ' C' . . . . . 0.644 ' C2 ' ' N2 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.855 2 C1'-O4'-C4' 117.032 8.257 . 0.413 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 318' ' ' ' G' . . . . . 0.795 ' C2 ' ' C8 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.907 2 C1'-O4'-C4' 117.331 8.59 . 0.623 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 319' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.493 3.339 2 O4'-C4'-C3' 92.211 -9.492 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 320' ' ' ' G' . . . . . 0.795 ' C8 ' ' C2 ' ' B' ' 318' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.992 3 C1'-O4'-C4' 114.955 5.95 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 321' ' ' ' G' . . . . . 0.672 ' C6 ' ' C4 ' ' B' ' 322' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.503 -1.992 3 O4'-C4'-C3' 92.344 -9.397 . 0.034 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 322' ' ' ' U' . . . . . 0.672 ' C4 ' ' C6 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.889 3 O4'-C4'-C3' 91.011 -10.35 . 0.287 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 323' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.012 2 O4'-C4'-C3' 93.543 -8.541 . 0.409 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 324' ' ' ' G' . . . . . 0.674 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.998 0 C3'-C2'-O2' 102.688 -3.659 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 325' ' ' ' A' . . . . . 0.674 ' C6 ' ' C6 ' ' B' ' 324' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.59 2 C1'-O4'-C4' 116.974 8.193 . 0.134 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 326' ' ' ' A' . . . . . 0.589 ' C6 ' ' C6 ' ' B' ' 325' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.505 -1.852 2 C1'-O4'-C4' 116.712 7.902 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 327' ' ' ' C' . . . . . 0.41 ' C4 ' ' C6 ' ' B' ' 326' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.941 2 C1'-O4'-C4' 116.808 8.009 . 0.559 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 328' ' ' ' U' . . . . . 0.464 ' C4 ' ' N7 ' ' B' ' 329' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 116.816 8.018 . 0.695 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 329' ' ' ' G' . . . . . 0.553 ' C6 ' ' N6 ' ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.036 2 O4'-C4'-C3' 91.814 -9.775 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 330' ' ' ' U' . . . . . 0.535 ' C5 ' ' C4 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.856 2 C1'-O4'-C4' 116.663 7.848 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 331' ' ' ' G' . . . . . 0.655 ' N2 ' ' C2 ' ' B' ' 332' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.502 -2.086 2 C1'-O4'-C4' 117.296 8.551 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 332' ' ' ' A' . . . . . 0.655 ' C2 ' ' N2 ' ' B' ' 331' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.502 -2.066 2 C1'-O4'-C4' 116.809 8.01 . 0.176 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 333' ' ' ' A' . . . . . 0.601 " H2'" " O4'" ' B' ' 334' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 116.411 7.568 . 0.165 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 334' ' ' ' G' . . . . . 0.601 " O4'" " H2'" ' B' ' 333' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.923 2 C1'-O4'-C4' 116.459 7.621 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 335' ' ' ' U' . . . . . 0.659 ' N3 ' ' C4 ' ' B' ' 336' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.934 2 C1'-O4'-C4' 117.313 8.57 . 0.373 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 336' ' ' ' U' . . . . . 0.659 ' C4 ' ' N3 ' ' B' ' 335' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.861 2 C1'-O4'-C4' 117.567 8.852 . 0.53 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 337' ' ' ' C' . . . . . 0.695 ' C4 ' ' N7 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.927 2 C1'-O4'-C4' 117.059 8.288 . 0.063 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 338' ' ' ' G' . . . . . 0.695 ' N7 ' ' C4 ' ' B' ' 337' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 90.579 -10.658 . 0.333 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 339' ' ' ' G' . . . . . 0.64 ' C8 ' ' C6 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.877 2 C1'-O4'-C4' 100.403 -10.219 OUTLIER-EPSILON 0.015 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 340' ' ' ' A' . . . . . 0.569 ' N7 ' ' N3 ' ' B' ' 338' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.482 2.39 2 O4'-C4'-C3' 92.935 -8.975 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 341' ' ' ' A' . . . . . 0.552 ' C6 ' ' N6 ' ' B' ' 340' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.457 2 C1'-O4'-C4' 117.533 8.815 . 0.12 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 342' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 C1'-O4'-C4' 116.5 7.666 . 0.158 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 343' ' ' ' A' . . . . . 0.646 ' C6 ' ' N4 ' ' B' ' 344' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.973 2 C1'-O4'-C4' 117.113 8.348 . 0.723 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 344' ' ' ' C' . . . . . 0.646 ' N4 ' ' C6 ' ' B' ' 343' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -2.01 2 O4'-C4'-C3' 94.095 -8.146 . 0.647 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 345' ' ' ' C' . . . . . 0.601 ' O2 ' ' C2 ' ' B' ' 321' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.985 2 O4'-C4'-C3' 93.4 -8.643 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 346' ' ' ' C' . . . . . 0.663 ' C2 ' ' C2 ' ' B' ' 320' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 91.269 -10.165 . 0.709 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 347' ' ' ' G' . . . . . 0.441 ' C6 ' ' C5 ' ' B' ' 348' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.854 3 O4'-C4'-C3' 93.623 -8.484 . 0.23 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 348' ' ' ' G' . . . . . 0.644 ' N2 ' ' C2 ' ' B' ' 317' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.991 2 O4'-C4'-C3' 91.703 -9.855 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 349' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 3 O4'-C4'-C3' 91.102 -10.284 . 0.062 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 350' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.892 3 O4'-C4'-C3' 91.619 -9.915 . 0.416 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 351' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.996 2 C1'-O4'-C4' 117.09 8.322 . 0.361 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 352' ' ' ' C' . . . . . 0.451 ' N4 ' ' O4 ' ' B' ' 376' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.866 3 O4'-C4'-C3' 91.846 -9.753 . 0.528 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 353' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.898 2 C1'-O4'-C4' 117.027 8.252 . 0.213 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 354' ' ' ' A' . . . . . 0.503 ' N6 ' ' N4 ' ' B' ' 355' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.504 -1.9 2 C1'-O4'-C4' 117.177 8.418 . 0.636 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 355' ' ' ' C' . . . . . 0.503 ' N4 ' ' N6 ' ' B' ' 354' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.504 -1.931 2 O4'-C4'-C3' 92.418 -9.344 . 0.578 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 356' ' ' ' C' . . . . . 0.422 " H2'" ' C6 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -2.039 2 O4'-C4'-C3' 93.359 -8.672 . 0.268 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 357' ' ' ' C' . . . . . 0.449 ' N4 ' ' O4 ' ' B' ' 358' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.944 2 C1'-O4'-C4' 116.112 7.236 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 358' ' ' ' U' . . . . . 0.449 ' O4 ' ' N4 ' ' B' ' 357' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.503 -1.989 2 O4'-C4'-C3' 93.286 -8.724 . 0.26 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 359' ' ' ' G' . . . . . 0.486 " H2'" ' C8 ' ' B' ' 360' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.503 -1.956 2 O4'-C4'-C3' 93.392 -8.648 . 0.466 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 360' ' ' ' G' . . . . . 0.486 ' C8 ' " H2'" ' B' ' 359' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.924 2 O4'-C4'-C3' 93.378 -8.659 . 0.214 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 361' ' ' ' G' . . . . . 0.487 " H2'" ' C8 ' ' B' ' 362' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.503 -1.993 2 C1'-O4'-C4' 116.881 8.09 . 0.253 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 362' ' ' ' A' . . . . . 0.507 " H2'" " O4'" ' B' ' 363' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.505 -1.814 2 C1'-O4'-C4' 116.971 8.19 . 0.059 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 363' ' ' ' G' . . . . . 0.507 " O4'" " H2'" ' B' ' 362' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.331 2 C1'-O4'-C4' 117.096 8.329 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 364' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.965 2 C1'-O4'-C4' 115.975 7.084 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 365' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -2.004 1 C1'-O4'-C4' 105.119 -4.978 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 366' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.978 0 C3'-C2'-O2' 102.704 -3.654 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 367' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.959 2 C1'-O4'-C4' 116.921 8.134 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 368' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.939 2 O4'-C4'-C3' 93.481 -8.585 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 369' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.936 2 C1'-O4'-C4' 117.07 8.3 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 370' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.994 2 O4'-C4'-C3' 92.747 -9.109 . 0.213 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 371' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.503 -1.986 2 C1'-O4'-C4' 116.895 8.106 . 0.168 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 372' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.905 3 O4'-C4'-C3' 93.743 -8.398 . 0.61 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 373' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.881 2 C1'-O4'-C4' 117.276 8.528 . 0.588 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 374' ' ' ' G' . . . . . 0.471 ' C6 ' ' C4 ' ' B' ' 375' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.504 -1.888 3 O4'-C4'-C3' 93.876 -8.303 . 0.626 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 375' ' ' ' U' . . . . . 0.471 ' C4 ' ' C6 ' ' B' ' 374' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.881 3 O4'-C4'-C3' 92.038 -9.616 . 0.399 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 376' ' ' ' U' . . . . . 0.511 " H3'" ' C8 ' ' B' ' 310' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.909 3 O4'-C4'-C3' 92.57 -9.236 . 0.68 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_