data_5v2g_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 5v2g _Structure_validation_residue.Date_analyzed 2017-09-22 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 ' 1' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.972 0.415 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.414 HD22 ' HB3' ' C' ' 17' ' ' ASP . 38.7 p-10 -66.75 150.37 97.65 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.67 -19.5 59.74 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.636 2.224 . . . . 0.0 112.013 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.97 -17.94 63.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.426 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.76 -27.27 64.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.254 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.43 -36.67 81.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.285 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.536 ' OE1' ' NH1' ' A' ' 10' ' ' ARG . 42.3 tp10 -61.94 -40.2 94.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.99 0.424 . . . . 0.0 110.703 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.502 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.7 mp -61.9 -42.06 93.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.194 0.521 . . . . 0.0 109.779 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.0 m -60.45 -41.31 93.82 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.729 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.536 ' NH1' ' OE1' ' A' ' 7' ' ' GLU . 57.9 ttp180 -61.75 -41.77 98.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.163 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.3 m -55.14 -45.01 75.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.311 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.13 -44.5 92.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.387 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.9 -39.21 93.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.119 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.0 mt -62.54 -42.11 99.32 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.051 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.16 -42.69 99.48 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.366 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -66.28 -39.95 89.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.358 0.599 . . . . 0.0 110.685 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -68.08 -11.32 58.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.427 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -56.12 -30.09 61.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.3 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -80.77 -11.65 59.58 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.853 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.407 ' C ' ' H ' ' B' ' 2' ' ' ASN . 12.2 m . . . . . 0 C--N 1.318 -0.768 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.74 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 20' ' ' SER . 39.2 p-10 -67.66 150.32 97.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.913 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.71 -19.25 59.59 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.631 2.221 . . . . 0.0 111.999 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -64.23 -18.32 64.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.57 -27.07 64.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.211 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.39 -36.48 80.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.315 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.553 ' OE1' ' NH1' ' B' ' 10' ' ' ARG . 42.9 tp10 -62.13 -40.22 95.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.089 0.471 . . . . 0.0 110.72 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.5 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.7 mp -61.94 -42.32 94.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.112 0.482 . . . . 0.0 109.882 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 97.3 m -60.3 -41.16 92.86 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.707 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.553 ' NH1' ' OE1' ' B' ' 7' ' ' GLU . 57.4 ttp180 -62.0 -41.97 98.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.25 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 36.9 m -55.27 -44.18 75.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.384 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.7 -44.65 93.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.331 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.52 -39.23 92.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.995 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.39 -41.97 99.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.29 -42.42 99.06 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.349 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.71 -40.37 88.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.419 0.628 . . . . 0.0 110.778 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . 0.42 ' HB3' HD22 ' C' ' 2' ' ' ASN . 97.9 m-20 -67.61 -11.22 57.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.307 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.6 t -55.7 -30.51 61.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.361 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.2 p -80.42 -11.41 59.69 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 C--N 1.319 -0.759 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.827 179.418 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.003 0.43 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' ASN . . . . . 0.42 HD22 ' HB3' ' B' ' 17' ' ' ASP . 40.5 p-10 -66.74 150.66 97.44 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.702 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.63 -19.88 59.95 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.703 2.269 . . . . 0.0 112.017 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -63.67 -18.21 63.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.518 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.88 63.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.65 -37.03 82.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.416 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . 0.531 ' OE1' ' NH1' ' C' ' 10' ' ' ARG . 41.6 tp10 -61.86 -40.21 94.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.055 0.455 . . . . 0.0 110.683 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . 0.506 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.6 mp -61.83 -42.31 94.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.133 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 97.2 m -60.31 -41.33 93.22 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.668 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.531 ' NH1' ' OE1' ' C' ' 7' ' ' GLU . 57.6 ttp180 -61.73 -41.75 98.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.253 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 52.6 m -55.36 -44.29 75.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.388 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.65 -44.66 93.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.892 0.377 . . . . 0.0 110.341 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -62.7 -39.03 92.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.911 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 65.2 mt -62.39 -42.42 99.41 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.024 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.19 -42.63 99.38 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.406 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -66.0 -40.44 91.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.44 0.638 . . . . 0.0 110.691 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . 0.414 ' HB3' HD22 ' A' ' 2' ' ' ASN . 97.7 m-20 -67.92 -11.14 58.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.352 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t -55.87 -29.79 60.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.456 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 84.1 p -80.65 -12.09 59.54 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.031 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 C--N 1.319 -0.75 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.984 179.611 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 CA--C 1.521 -0.159 0 CA-C-O 121.017 0.437 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.457 ' H ' ' C ' ' C' ' 20' ' ' SER . 34.2 p-10 -61.57 149.18 84.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.805 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.48 -19.42 60.93 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.605 2.203 . . . . 0.0 112.126 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.4 -13.7 52.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.525 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.72 -26.05 63.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.45 -38.64 84.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.429 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.502 ' CD ' HH11 ' A' ' 10' ' ' ARG . 9.3 tp10 -63.15 -40.71 98.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.102 0.477 . . . . 0.0 110.361 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.455 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.7 mp -62.71 -40.32 88.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.027 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.2 m -59.27 -42.98 92.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.878 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.502 HH11 ' CD ' ' A' ' 7' ' ' GLU . 96.0 mtm-85 -65.01 -37.69 88.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.059 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 t -53.33 -47.3 69.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.937 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -62.84 -43.45 98.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.419 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -62.72 -39.56 94.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.248 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.9 mt -61.98 -42.53 99.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.639 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.73 -40.53 92.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.151 0.501 . . . . 0.0 110.454 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.98 -38.06 89.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.889 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -65.72 -10.39 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.493 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.5 p -59.89 -20.46 57.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.922 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.8 p -79.77 -14.04 59.0 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.013 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.401 ' C ' ' H ' ' B' ' 2' ' ' ASN . 22.9 t . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.793 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 120.936 0.398 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' A' ' 20' ' ' SER . 34.2 p-10 -62.32 149.74 86.71 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.795 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.74 -19.33 59.39 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 122.586 2.191 . . . . 0.0 112.041 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.32 -13.9 52.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.613 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.81 -25.99 63.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.369 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.57 -38.51 84.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.292 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.533 ' CD ' HH11 ' B' ' 10' ' ' ARG . 9.7 tp10 -63.14 -41.0 99.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.132 0.491 . . . . 0.0 110.383 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.46 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.7 mp -62.81 -40.16 87.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.007 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.5 m -59.07 -42.95 91.61 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.533 HH11 ' CD ' ' B' ' 7' ' ' GLU . 96.0 mtm-85 -64.98 -37.59 88.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.216 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 9.8 t -53.42 -47.53 69.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.215 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.88 -43.17 99.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.381 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -62.71 -39.6 94.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.288 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 43.2 mt -62.0 -42.31 99.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.626 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.82 -40.64 92.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.115 0.483 . . . . 0.0 110.461 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.84 -38.24 90.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.785 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -65.86 -10.38 37.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.55 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 56.6 p -60.04 -20.48 58.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.9 p -79.33 -14.92 58.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.421 ' C ' ' H ' ' C' ' 2' ' ' ASN . 22.9 t . . . . . 0 C--N 1.319 -0.736 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.794 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.958 0.408 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' B' ' 20' ' ' SER . 33.0 p-10 -62.02 149.74 85.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.863 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.78 -19.28 59.15 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 122.633 2.222 . . . . 0.0 112.11 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.39 -13.86 53.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.587 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.71 -26.17 63.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.462 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.51 -38.57 84.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.353 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . 0.534 ' CD ' HH11 ' C' ' 10' ' ' ARG . 9.7 tp10 -63.16 -40.71 98.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.04 0.448 . . . . 0.0 110.229 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . 0.46 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.7 mp -62.66 -40.3 87.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.042 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.2 m -59.19 -43.1 92.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.906 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.534 HH11 ' CD ' ' C' ' 7' ' ' GLU . 96.0 mtm-85 -64.84 -37.63 88.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.1 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 10.4 t -53.23 -47.48 68.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.165 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.77 -43.43 98.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.372 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.61 -39.64 94.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.248 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.14 -42.26 99.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.588 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 98.3 mt -65.83 -40.55 91.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.149 0.499 . . . . 0.0 110.389 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.01 -38.36 90.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.871 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -65.62 -10.13 33.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.569 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 57.5 p -60.43 -20.18 58.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 88.7 p -79.59 -14.23 58.97 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.083 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.457 ' C ' ' H ' ' A' ' 2' ' ' ASN . 19.4 t . . . . . 0 C--N 1.319 -0.761 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.78 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.516 -0.362 0 CA-C-O 121.049 0.452 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.511 ' H ' ' C ' ' C' ' 20' ' ' SER . 14.2 p-10 -59.86 150.52 68.28 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.327 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -57.08 -28.42 78.69 Favored 'Trans proline' 0 N--CA 1.504 2.122 0 C-N-CA 122.564 2.176 . . . . 0.0 112.304 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -62.61 -12.93 26.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.644 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.19 -34.16 70.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.135 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.95 -39.43 92.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.031 0.443 . . . . 0.0 110.348 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.83 -36.27 83.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.14 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.4 mm -62.3 -41.95 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.566 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.4 m -60.87 -42.04 97.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.845 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.2 mtp85 -62.32 -39.38 92.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.379 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 t -57.77 -44.37 86.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.547 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.22 -42.03 98.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.412 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.0 -40.06 95.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.599 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.7 mt -62.6 -43.43 98.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.436 ' O ' ' OG ' ' A' ' 18' ' ' SER . 87.9 mt -63.65 -42.96 98.06 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.382 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -66.74 -40.82 88.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.43 0.633 . . . . 0.0 110.659 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -70.16 -11.06 60.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.286 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 15' ' ' LEU . 55.1 p -59.39 -20.19 52.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.529 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.2 p -79.79 -14.04 58.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.624 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.494 ' C ' ' H ' ' B' ' 2' ' ' ASN . 48.9 m . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.578 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 CA--C 1.517 -0.314 0 CA-C-O 120.933 0.397 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.494 ' H ' ' C ' ' A' ' 20' ' ' SER . 15.6 p-10 -60.06 150.42 70.38 Favored Pre-proline 0 C--N 1.323 -0.581 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.343 -178.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -57.24 -28.79 81.21 Favored 'Trans proline' 0 N--CA 1.504 2.141 0 C-N-CA 122.544 2.163 . . . . 0.0 112.448 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.31 -12.98 24.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.398 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.09 -34.43 70.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.045 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.84 -39.54 92.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.937 0.398 . . . . 0.0 110.403 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -64.59 -36.23 83.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.016 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 45.0 mm -62.46 -41.82 93.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.61 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -60.66 -41.98 96.09 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -62.32 -39.83 94.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -57.22 -44.59 83.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.06 -42.12 98.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.458 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.98 -40.05 95.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.701 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 24.5 mt -62.53 -43.41 98.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.636 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' B' ' 18' ' ' SER . 90.7 mt -63.83 -42.81 97.54 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.214 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -66.76 -40.92 88.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.445 0.641 . . . . 0.0 110.64 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.17 -11.3 60.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.286 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 15' ' ' LEU . 56.3 p -59.58 -19.85 51.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.452 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p -79.89 -14.7 58.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.135 0.493 . . . . 0.0 110.594 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.514 ' C ' ' H ' ' C' ' 2' ' ' ASN . 48.7 m . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.745 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.516 -0.331 0 CA-C-O 121.102 0.477 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' ASN . . . . . 0.514 ' H ' ' C ' ' B' ' 20' ' ' SER . 15.7 p-10 -59.82 150.68 67.15 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.345 -178.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -57.24 -28.47 79.72 Favored 'Trans proline' 0 N--CA 1.504 2.127 0 C-N-CA 122.529 2.152 . . . . 0.0 112.346 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.5 -13.19 27.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.533 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.95 -34.02 69.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.124 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.09 -39.68 93.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.973 0.416 . . . . 0.0 110.4 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.56 -36.12 83.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.057 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 43.8 mm -62.35 -42.03 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.657 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 93.4 m -60.63 -42.15 96.33 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -62.25 -39.61 93.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.63 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -57.57 -44.21 85.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.554 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.13 -42.2 99.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.443 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.05 -40.13 95.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.712 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 25.3 mt -62.62 -43.36 99.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.589 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.426 ' O ' ' OG ' ' C' ' 18' ' ' SER . 90.1 mt -63.84 -42.84 97.5 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.361 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.68 -40.78 88.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.407 0.622 . . . . 0.0 110.667 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -70.36 -11.46 60.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.271 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' C' ' 15' ' ' LEU . 54.4 p -59.68 -19.8 52.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.396 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -79.79 -14.46 58.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.682 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.511 ' C ' ' H ' ' A' ' 2' ' ' ASN . 56.9 m . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.573 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.464 0.258 0 CA-C-O 121.101 0.477 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.457 ' OD1' ' OG ' ' C' ' 20' ' ' SER . 0.4 OUTLIER -64.03 156.18 75.25 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.038 -179.775 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.49 -23.16 30.44 Favored 'Trans proline' 0 N--CA 1.503 2.034 0 C-N-CA 122.225 1.95 . . . . 0.0 111.908 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.67 -13.03 27.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.0 0.428 . . . . 0.0 110.404 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.31 -30.29 66.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.218 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.06 -40.28 95.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.879 0.371 . . . . 0.0 110.191 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.426 ' OE1' ' NH1' ' A' ' 10' ' ' ARG . 49.2 tp10 -64.87 -38.23 90.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.04 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.6 mm -61.96 -41.94 92.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.539 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.8 m -60.68 -42.28 96.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.03 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.426 ' NH1' ' OE1' ' A' ' 7' ' ' GLU . 59.8 ttp180 -61.78 -42.29 98.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.976 0.417 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.1 t -60.85 -37.75 83.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.202 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.57 -44.14 97.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.201 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.71 -40.16 94.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.252 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.12 -40.98 99.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.047 0.451 . . . . 0.0 110.313 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.9 mt -64.47 -40.69 96.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.168 0.508 . . . . 0.0 110.439 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.74 -29.59 69.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.806 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.456 ' O ' ' OG ' ' A' ' 20' ' ' SER . 98.0 m-20 -63.86 -8.28 10.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.221 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.7 m -56.49 -32.35 64.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.41 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.6 p -80.67 -9.94 59.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.775 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.462 ' OG ' ' OD1' ' B' ' 2' ' ' ASN . 25.3 p . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.622 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 120.989 0.423 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.462 ' OD1' ' OG ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -64.8 155.87 81.19 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.113 -179.753 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.15 -23.35 28.96 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.313 2.008 . . . . 0.0 111.953 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -62.64 -12.92 26.23 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.084 0.469 . . . . 0.0 110.52 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.4 -30.39 66.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.189 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.9 -40.17 94.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.943 0.401 . . . . 0.0 110.018 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.415 ' OE1' ' NH1' ' B' ' 10' ' ' ARG . 48.6 tp10 -64.89 -38.22 90.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.047 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.424 HG22 HD12 ' B' ' 8' ' ' ILE . 44.8 mm -62.08 -41.97 93.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.538 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.1 m -60.61 -42.2 96.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.244 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.415 ' NH1' ' OE1' ' B' ' 7' ' ' GLU . 59.9 ttp180 -61.86 -42.18 98.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.243 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 t -60.92 -37.5 82.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.325 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.81 -43.98 97.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.245 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.88 -40.06 94.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.258 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.18 -41.05 99.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.049 0.452 . . . . 0.0 110.283 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.41 -40.84 96.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.192 0.52 . . . . 0.0 110.261 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.48 -29.91 70.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.814 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . 0.457 ' O ' ' OG ' ' B' ' 20' ' ' SER . 97.8 m-20 -63.8 -8.21 10.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.252 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 68.3 m -56.32 -32.32 64.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.344 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 89.5 p -80.53 -10.41 59.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.831 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.47 ' OG ' ' OD1' ' C' ' 2' ' ' ASN . 27.8 p . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.526 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.465 0.283 0 CA-C-O 121.13 0.49 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' ASN . . . . . 0.47 ' OD1' ' OG ' ' B' ' 20' ' ' SER . 0.4 OUTLIER -63.89 156.03 75.02 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.166 -179.802 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.13 -23.4 29.06 Favored 'Trans proline' 0 N--CA 1.501 1.966 0 C-N-CA 122.278 1.985 . . . . 0.0 111.949 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.49 -12.94 25.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.049 0.452 . . . . 0.0 110.503 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.45 66.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.193 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.9 -40.15 94.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.904 0.383 . . . . 0.0 110.031 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . 0.433 ' OE1' ' NH1' ' C' ' 10' ' ' ARG . 48.9 tp10 -64.99 -38.27 90.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.964 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 45.5 mm -62.11 -41.79 92.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.543 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 99.1 m -60.78 -42.16 96.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.127 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.433 ' NH1' ' OE1' ' C' ' 7' ' ' GLU . 59.8 ttp180 -61.85 -42.2 98.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 110.201 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 22.6 t -60.81 -37.89 83.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.277 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.67 -44.07 97.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.255 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.48 -40.24 93.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.282 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.26 -40.95 98.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.05 0.452 . . . . 0.0 110.17 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.49 -40.75 96.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.146 0.498 . . . . 0.0 110.364 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.32 -29.94 70.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.77 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . 0.442 ' O ' ' OG ' ' C' ' 20' ' ' SER . 97.7 m-20 -63.81 -8.32 10.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.311 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -56.42 -32.26 64.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.34 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 87.2 p -80.59 -10.32 59.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.812 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.457 ' OG ' ' OD1' ' A' ' 2' ' ' ASN . 24.7 p . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.699 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.4 mttp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.031 0.443 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.467 ' H ' ' C ' ' C' ' 20' ' ' SER . 31.0 p-10 -65.87 149.03 97.96 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.093 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -65.47 -19.62 60.96 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.277 1.985 . . . . 0.0 112.283 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.84 -17.85 63.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.631 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.67 -32.65 69.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.089 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.01 -37.23 84.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.323 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -62.48 -40.61 97.24 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.486 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.3 mp -62.36 -39.73 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.885 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.3 m -60.15 -42.27 94.52 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -62.2 -40.21 95.32 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.0 t -55.36 -43.09 74.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.102 0.477 . . . . 0.0 110.442 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.38 -38.98 88.98 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.654 -0.418 . . . . 0.0 109.958 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -60.48 -38.46 84.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.463 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.6 -44.75 96.42 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.446 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.435 ' O ' ' OG ' ' A' ' 18' ' ' SER . 9.3 mp -68.19 -37.21 80.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.04 0.448 . . . . 0.0 110.794 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.39 -37.87 84.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.599 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.59 -10.82 49.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.534 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 15' ' ' LEU . 83.7 p -60.53 -20.08 59.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.029 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.3 m -80.52 -15.09 57.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.578 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.459 ' C ' ' H ' ' B' ' 2' ' ' ASN . 19.9 m . . . . . 0 C--N 1.32 -0.696 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.599 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 121.013 0.435 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.459 ' H ' ' C ' ' A' ' 20' ' ' SER . 30.3 p-10 -65.85 149.2 97.77 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.191 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.63 -19.61 60.0 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.393 2.062 . . . . 0.0 112.126 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.95 -17.86 63.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.61 -32.8 69.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.135 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.92 -37.19 83.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.348 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -62.38 -40.69 97.28 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.485 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.3 mp -62.23 -39.9 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.866 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.5 m -60.19 -42.2 94.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.142 0.496 . . . . 0.0 109.721 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -62.29 -40.43 96.26 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 47.4 t -54.9 -43.27 73.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.098 0.475 . . . . 0.0 110.577 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.32 -38.97 88.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.956 0.408 . . . . 0.0 109.906 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -60.36 -38.61 84.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.469 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.68 -44.74 96.36 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.506 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.447 ' N ' ' CD1' ' B' ' 15' ' ' LEU . 9.1 mp -68.12 -37.4 81.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.116 0.484 . . . . 0.0 110.881 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.41 -37.8 84.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.678 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.44 -10.68 46.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.573 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' B' ' 15' ' ' LEU . 83.8 p -60.67 -19.89 59.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.8 m -80.43 -15.01 57.8 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.591 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.46 ' C ' ' H ' ' C' ' 2' ' ' ASN . 19.3 m . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.447 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.89 0.376 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' ASN . . . . . 0.46 ' H ' ' C ' ' B' ' 20' ' ' SER . 30.0 p-10 -65.7 149.24 97.6 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.09 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.64 -19.61 59.95 Favored 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.345 2.03 . . . . 0.0 112.083 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.96 -17.7 63.53 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.018 0.437 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.47 -32.81 69.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.066 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.94 -37.24 83.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.404 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -62.52 -40.7 97.59 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.3 mp -62.27 -39.92 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.908 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.6 m -59.95 -42.5 94.17 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -61.98 -40.59 96.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 49.0 t -54.9 -43.32 73.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.069 0.461 . . . . 0.0 110.482 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.2 -38.99 88.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.006 0.431 . . . . 0.0 110.016 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -60.39 -38.61 84.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.63 -44.73 96.43 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.495 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.436 ' O ' ' OG ' ' C' ' 18' ' ' SER . 9.3 mp -68.15 -37.32 80.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.042 0.449 . . . . 0.0 110.862 178.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.3 -37.91 84.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.701 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.69 -10.55 47.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.583 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' C' ' 15' ' ' LEU . 84.1 p -60.55 -20.19 59.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.016 0.436 . . . . 0.0 110.889 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 73.5 m -80.52 -14.6 58.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.634 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.467 ' C ' ' H ' ' A' ' 2' ' ' ASN . 21.7 m . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.581 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.0 mttp . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.105 0.478 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -65.8 154.48 88.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.082 -178.752 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.42 -26.06 60.92 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.394 2.062 . . . . 0.0 112.015 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.09 -16.14 50.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.303 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.63 -28.98 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.253 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.24 -38.44 89.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.152 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.68 -39.73 94.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.191 0.519 . . . . 0.0 109.808 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -62.26 -41.71 92.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.895 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -59.31 -41.64 89.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.853 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.37 -41.86 97.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.981 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.31 -36.66 84.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.141 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -59.11 -44.64 91.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.064 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.85 -40.12 96.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.235 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.07 -41.31 99.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' A' ' 18' ' ' SER . 88.0 mt -63.84 -40.88 97.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.626 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.69 -37.68 87.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.386 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.08 -10.28 29.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.36 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 15' ' ' LEU . 98.5 p -58.21 -32.04 67.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.573 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.8 m -84.52 -14.36 49.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.737 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.627 179.551 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.977 0.418 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.506 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 0.1 OUTLIER -65.3 154.5 87.3 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.005 -178.824 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.31 -25.93 59.22 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.393 2.062 . . . . 0.0 112.123 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.0 -16.26 50.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.268 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.52 -28.99 65.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.15 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.28 -38.26 88.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.915 0.388 . . . . 0.0 110.185 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -62.83 -39.63 94.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.17 0.509 . . . . 0.0 109.851 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.483 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -62.53 -41.69 92.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.948 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 98.4 m -59.46 -41.57 90.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.983 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -61.42 -41.66 97.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.963 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.93 -36.19 83.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.425 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -59.3 -44.29 92.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.991 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.05 -40.15 96.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.177 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.02 -41.26 99.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.414 ' O ' ' OG ' ' B' ' 18' ' ' SER . 87.3 mt -63.87 -40.8 97.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.515 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.66 -37.74 87.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.378 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.08 -10.29 29.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.354 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' B' ' 15' ' ' LEU . 100.0 p -58.17 -31.91 67.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 -179.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.3 m -84.58 -13.93 50.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.83 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.882 179.588 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 C--O 1.234 0.249 0 CA-C-O 121.009 0.433 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' C' ' 2' ' ' ASN . 0.1 OUTLIER -64.96 154.31 86.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.079 -178.701 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.43 -25.7 59.11 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 122.395 2.063 . . . . 0.0 111.993 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.33 -16.2 52.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.32 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.51 -28.89 65.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.18 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.21 -38.4 89.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.178 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -62.69 -39.8 95.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.139 0.495 . . . . 0.0 109.763 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . 0.488 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.5 mp -62.38 -41.67 92.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.002 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -59.43 -41.53 89.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.95 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.45 -41.82 97.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.99 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.41 -36.49 84.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.223 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -59.16 -44.47 92.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.04 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.05 -40.25 97.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.322 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 78.6 mt -63.0 -41.06 99.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.512 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.442 ' O ' ' OG ' ' C' ' 18' ' ' SER . 87.1 mt -63.91 -40.98 97.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.524 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.57 -37.85 87.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.425 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.9 -10.72 30.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.406 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' C' ' 15' ' ' LEU . 96.5 p -58.0 -32.06 67.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.55 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 70.7 m -84.12 -14.02 51.42 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.719 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.951 179.614 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt . . . . . 0 N--CA 1.464 0.241 0 CA-C-O 120.951 0.405 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.559 ' H ' ' HG ' ' C' ' 20' ' ' SER . 0.4 OUTLIER -60.93 154.92 56.91 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.083 -179.283 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.13 -24.57 41.54 Favored 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 122.59 2.193 . . . . 0.0 111.907 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.23 -11.59 15.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.345 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.69 -28.58 63.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.09 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.13 -40.92 97.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.392 . . . . 0.0 110.429 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.4 -36.47 84.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.479 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.405 HD13 HG23 ' A' ' 8' ' ' ILE . 34.3 mm -62.57 -42.69 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.828 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.6 m -60.98 -41.92 97.34 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.948 -0.389 . . . . 0.0 109.948 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -62.08 -41.99 98.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.136 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 t -56.97 -40.91 77.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.032 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.12 -42.97 99.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.212 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.28 -40.98 96.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.576 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.03 -43.08 99.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.916 0.389 . . . . 0.0 110.353 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.89 -39.53 93.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.135 0.493 . . . . 0.0 110.718 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.25 -35.14 78.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.524 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.18 -9.18 15.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.162 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.7 p -58.44 -26.06 62.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.8 0.333 . . . . 0.0 110.69 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.0 p -86.03 -15.67 40.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.978 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.617 ' HG ' ' H ' ' B' ' 2' ' ' ASN . 17.1 t . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.627 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt . . . . . 0 C--O 1.234 0.254 0 CA-C-O 120.917 0.389 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.617 ' H ' ' HG ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -60.52 154.4 55.45 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.033 -179.265 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.77 -24.3 37.4 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 122.573 2.182 . . . . 0.0 112.031 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.09 -11.7 15.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.473 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.7 -28.57 63.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.09 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.06 -40.94 97.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.396 . . . . 0.0 110.376 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.46 -36.56 84.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.094 0.473 . . . . 0.0 110.538 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 33.3 mm -62.43 -42.46 95.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.732 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.4 m -61.16 -41.91 97.61 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -62.02 -42.19 98.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 t -56.45 -41.14 75.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.235 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -62.21 -42.51 99.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.141 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.7 -40.72 96.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.685 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.61 -42.95 98.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.348 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.94 -39.45 93.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.181 0.515 . . . . 0.0 110.599 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.38 -35.4 79.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.485 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.84 -9.87 17.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.271 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 87.7 p -58.27 -26.46 62.99 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.732 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 92.1 p -85.34 -16.09 41.11 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.627 ' HG ' ' H ' ' C' ' 2' ' ' ASN . 17.1 t . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.714 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.905 0.383 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' ASN . . . . . 0.627 ' H ' ' HG ' ' B' ' 20' ' ' SER . 0.4 OUTLIER -60.82 154.4 58.7 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.065 -179.191 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.68 -24.28 36.63 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 122.532 2.154 . . . . 0.0 111.986 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.07 -11.4 13.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.332 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.88 -29.05 64.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.2 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.89 -40.63 96.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.957 0.408 . . . . 0.0 110.387 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -65.66 -36.73 84.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.086 0.47 . . . . 0.0 110.728 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . 0.423 HD13 HG23 ' C' ' 8' ' ' ILE . 33.6 mm -62.35 -42.32 95.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 92.8 m -61.15 -41.84 97.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.013 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -62.25 -41.78 98.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.988 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 t -56.75 -40.9 76.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 0.0 110.273 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.19 -42.77 99.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.197 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.52 -40.61 95.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.555 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.56 -42.69 98.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.39 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.42 -39.65 92.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.174 0.512 . . . . 0.0 110.6 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.19 -35.33 78.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.493 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.95 -9.62 16.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.097 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 88.2 p -58.33 -27.04 63.77 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.574 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 89.2 p -85.06 -15.49 43.84 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.948 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.559 ' HG ' ' H ' ' A' ' 2' ' ' ASN . 18.1 t . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.817 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.985 0.421 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.512 ' ND2' ' OG ' ' C' ' 20' ' ' SER . 86.3 m-20 -61.85 148.82 86.97 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.898 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.89 -19.19 58.52 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.581 2.187 . . . . 0.0 111.829 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.06 -12.48 51.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.414 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.42 -28.05 51.78 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.171 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.61 -39.09 92.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.084 0.468 . . . . 0.0 110.143 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -65.97 -38.63 89.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.193 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.94 -42.2 91.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.912 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.5 m -59.88 -43.2 94.89 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -62.75 -38.74 91.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.204 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -54.89 -46.41 74.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.392 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.1 -41.46 98.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.391 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -64.4 -40.83 96.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.399 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.16 -42.21 99.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.754 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.72 -39.89 94.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.671 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.47 -36.53 82.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.504 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.445 ' O ' ' OG ' ' A' ' 20' ' ' SER . 97.5 m-20 -64.11 -9.28 15.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.369 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.5 p -57.54 -32.07 66.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.697 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -90.25 -12.3 38.34 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.977 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.536 ' OG ' ' ND2' ' B' ' 2' ' ' ASN . 85.2 p . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.838 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.983 0.421 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.536 ' ND2' ' OG ' ' A' ' 20' ' ' SER . 85.3 m-20 -61.96 149.13 86.74 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.926 -178.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.06 -19.37 57.47 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 122.546 2.164 . . . . 0.0 111.787 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.85 -12.45 48.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.386 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.39 -28.24 52.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.057 -178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.56 -38.92 91.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.065 0.459 . . . . 0.0 110.084 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -66.01 -38.57 88.79 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.243 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.16 -42.37 93.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.09 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.9 m -59.81 -42.84 94.36 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.6 mtp85 -62.87 -38.72 91.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.067 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 t -54.96 -46.45 75.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.562 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.1 -41.7 98.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.322 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -64.17 -40.94 97.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.363 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.14 -42.39 99.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.746 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.54 -39.81 94.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.205 0.526 . . . . 0.0 110.559 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.37 -36.75 83.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.442 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . 0.441 ' O ' ' OG ' ' B' ' 20' ' ' SER . 97.7 m-20 -63.98 -9.27 14.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.419 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 99.9 p -57.43 -31.91 66.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.698 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.0 m -90.11 -13.01 36.65 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.093 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.539 ' OG ' ' ND2' ' C' ' 2' ' ' ASN . 84.2 p . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.815 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.982 0.42 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' ASN . . . . . 0.539 ' ND2' ' OG ' ' B' ' 20' ' ' SER . 86.9 m-20 -61.8 148.5 87.38 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.917 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.54 -19.5 60.53 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.539 2.159 . . . . 0.0 111.872 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.96 -12.25 47.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.517 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.58 -28.33 54.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.159 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.33 -38.74 90.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.108 0.48 . . . . 0.0 110.09 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -66.22 -38.78 88.78 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.189 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.89 -42.02 91.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.873 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -60.13 -42.98 95.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.242 0.544 . . . . 0.0 109.702 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 60.7 mtp85 -62.92 -38.75 92.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.121 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 t -54.99 -46.51 75.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.521 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.82 -41.35 97.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.334 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -64.59 -40.62 95.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.327 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.27 -42.28 99.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.83 -39.9 94.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.667 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.55 -36.37 82.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.447 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . 0.438 ' O ' ' OG ' ' C' ' 20' ' ' SER . 97.2 m-20 -64.08 -9.26 15.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.363 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 97.3 p -57.44 -32.15 66.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.926 0.394 . . . . 0.0 110.611 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -89.79 -12.97 37.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.981 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.512 ' OG ' ' ND2' ' A' ' 2' ' ' ASN . 82.8 p . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.049 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 C--O 1.236 0.343 0 CA-C-O 121.058 0.456 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.479 HD21 ' HB2' ' A' ' 4' ' ' GLU . 31.6 t30 -62.21 137.28 95.81 Favored Pre-proline 0 CA--C 1.544 0.749 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.435 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.43 -23.71 40.02 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.612 2.208 . . . . 0.0 112.122 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.479 ' HB2' HD21 ' A' ' 2' ' ' ASN . 98.5 mt-10 -62.27 -15.09 45.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.58 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.47 -26.72 63.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.293 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.32 -37.77 84.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.3 -38.92 91.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.413 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.492 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.7 mp -62.57 -41.03 90.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.865 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.1 m -59.61 -41.52 90.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.822 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.9 mtp85 -62.5 -40.07 95.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.444 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.0 m -59.43 -41.94 90.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.376 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.85 -45.92 90.92 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.104 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.97 -39.75 94.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.39 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.9 mt -62.22 -41.76 98.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.804 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.411 ' O ' ' OG ' ' A' ' 18' ' ' SER . 90.7 mt -63.59 -40.83 97.94 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.05 0.452 . . . . 0.0 110.485 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.17 -37.58 87.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.582 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.97 -10.33 28.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.413 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 15' ' ' LEU . 98.2 p -58.15 -31.88 67.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.767 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -83.77 -17.64 40.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.147 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.42 ' C ' ' H ' ' B' ' 2' ' ' ASN . 5.9 t . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.756 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.0 0.429 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.454 HD21 ' HB2' ' B' ' 4' ' ' GLU . 32.3 t30 -61.9 137.66 95.41 Favored Pre-proline 0 CA--C 1.543 0.701 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.397 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.48 -23.85 41.14 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 122.584 2.189 . . . . 0.0 112.161 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.454 ' HB2' HD21 ' B' ' 2' ' ' ASN . 98.9 mt-10 -62.02 -15.14 42.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.552 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.7 -26.69 64.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.163 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.16 -37.63 83.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.459 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.7 -39.36 93.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.67 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.471 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.7 mp -62.21 -40.66 88.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.109 0.48 . . . . 0.0 109.813 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 97.4 m -59.83 -41.65 91.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.816 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -62.25 -39.93 94.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.447 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 m -59.43 -42.22 91.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.51 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.62 -45.82 90.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.154 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.19 -39.88 94.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.457 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 25.0 mt -62.04 -41.92 98.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.814 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.49 -40.7 97.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.08 0.467 . . . . 0.0 110.37 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -63.08 -37.69 88.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.489 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.1 -10.38 30.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.567 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 90.9 p -58.25 -32.02 67.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.782 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -82.9 -18.4 40.32 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.15 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.469 ' C ' ' H ' ' C' ' 2' ' ' ASN . 5.5 t . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.498 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp . . . . . 0 CA--C 1.516 -0.358 0 CA-C-O 120.964 0.411 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' ASN . . . . . 0.483 HD21 ' HB2' ' C' ' 4' ' ' GLU . 33.1 t30 -62.25 137.21 95.85 Favored Pre-proline 0 N--CA 1.445 -0.72 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.565 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.72 -23.86 43.23 Favored 'Trans proline' 0 N--CA 1.5 1.879 0 C-N-CA 122.565 2.176 . . . . 0.0 112.167 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . 0.483 ' HB2' HD21 ' C' ' 2' ' ' ASN . 98.8 mt-10 -61.99 -14.97 40.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.475 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.84 -26.78 64.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.276 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.17 -37.51 83.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.47 -39.41 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 0.0 110.493 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . 0.462 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.7 mp -62.04 -41.05 89.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.134 0.493 . . . . 0.0 109.936 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 96.2 m -59.74 -41.5 91.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.769 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -62.35 -39.82 94.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.386 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 23.1 m -59.68 -42.5 93.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.461 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.5 -45.63 91.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.077 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.1 -39.81 94.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.449 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.05 -42.26 99.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.801 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.34 -40.85 98.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.097 0.475 . . . . 0.0 110.475 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.03 -37.71 88.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.612 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.96 -10.24 27.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.425 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 95.5 p -58.01 -31.99 67.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 72.7 m -83.16 -18.07 40.7 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.171 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.462 ' C ' ' H ' ' A' ' 2' ' ' ASN . 6.4 t . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.814 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.459 ' H ' ' C ' ' C' ' 20' ' ' SER . 35.5 p-10 -60.87 146.87 86.27 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.603 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.43 -24.1 50.01 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.676 2.251 . . . . 0.0 112.45 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.459 ' OE2' ' N ' ' A' ' 4' ' ' GLU . 57.9 mp0 -64.12 -12.92 44.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.579 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.29 -31.75 67.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.304 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.72 -40.31 94.62 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.074 0.464 . . . . 0.0 110.608 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -64.76 -35.71 81.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.17 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.5 mm -61.19 -39.52 82.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.769 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.9 m -59.76 -41.39 90.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.801 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -61.86 -39.6 92.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.403 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.0 t -55.25 -45.02 76.08 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.57 -41.34 98.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.294 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -62.83 -39.96 95.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.355 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.6 mt -62.21 -42.33 99.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.528 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 98.0 mt -65.03 -40.29 94.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.483 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.53 -36.78 83.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.352 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.47 -9.33 17.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.367 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.6 t -56.66 -33.07 66.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.456 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.1 p -78.69 -13.44 59.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.439 ' C ' ' H ' ' B' ' 2' ' ' ASN . 20.6 m . . . . . 0 C--N 1.32 -0.703 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.623 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.909 0.385 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.439 ' H ' ' C ' ' A' ' 20' ' ' SER . 35.7 p-10 -60.83 146.77 86.21 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.651 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.26 -23.81 51.61 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.665 2.243 . . . . 0.0 112.389 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.482 ' OE2' ' N ' ' B' ' 4' ' ' GLU . 57.8 mp0 -64.25 -12.91 45.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.597 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.4 -31.88 68.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.3 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.61 -40.05 93.44 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.104 0.478 . . . . 0.0 110.605 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -64.97 -35.98 82.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.081 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 48.6 mm -61.09 -39.0 80.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.683 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.5 m -60.17 -41.54 93.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.823 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -61.95 -39.09 90.91 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.342 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 22.2 t -56.09 -44.46 79.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.382 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.06 -40.75 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.24 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.18 -40.13 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.199 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 17.3 mt -62.15 -42.59 99.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.457 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.79 -40.23 94.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.405 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.75 -37.5 86.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.437 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.14 -9.18 15.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.163 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.6 t -56.56 -33.04 65.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.473 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.1 p -78.45 -13.96 59.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.438 ' C ' ' H ' ' C' ' 2' ' ' ASN . 20.3 m . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.597 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.233 0.237 0 CA-C-O 120.844 0.354 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' ASN . . . . . 0.438 ' H ' ' C ' ' B' ' 20' ' ' SER . 35.9 p-10 -60.89 146.91 86.31 Favored Pre-proline 0 N--CA 1.451 -0.382 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.695 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.48 -23.48 50.4 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.666 2.244 . . . . 0.0 112.382 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . 0.458 ' OE2' ' N ' ' C' ' 4' ' ' GLU . 57.2 mp0 -64.95 -12.85 54.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.621 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.48 -31.82 68.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.173 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.57 -40.26 94.09 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.09 0.472 . . . . 0.0 110.52 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -64.88 -36.0 82.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.193 0.521 . . . . 0.0 110.207 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 49.3 mm -61.07 -38.91 80.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.886 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 85.3 m -60.21 -41.39 92.9 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -61.79 -39.7 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.316 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 23.7 t -55.25 -44.74 75.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.919 0.39 . . . . 0.0 110.343 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.7 -40.83 98.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.238 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.06 -40.4 97.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.208 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.6 mt -62.06 -42.57 99.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.537 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.67 -40.28 95.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.472 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.7 -37.32 86.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.455 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.8 -9.05 12.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.244 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 35.2 t -56.94 -32.8 66.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.601 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 87.2 p -78.41 -13.91 59.63 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.459 ' C ' ' H ' ' A' ' 2' ' ' ASN . 20.4 m . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.549 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.762 0.315 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -63.79 151.58 88.63 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.558 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.24 -20.33 69.71 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 C-N-CA 122.921 2.414 . . . . 0.0 111.984 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -65.08 -12.24 48.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.275 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.16 -25.08 61.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.209 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.39 -37.61 81.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.399 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -64.08 -37.41 87.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.572 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.503 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.6 mp -61.59 -44.74 99.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.943 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.2 m -61.18 -41.69 97.24 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -62.65 -40.06 95.84 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 t -54.61 -48.14 72.56 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.285 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.57 -43.48 98.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.318 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -62.28 -42.09 99.05 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.419 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.1 mt -62.78 -41.21 99.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.216 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.52 -39.51 91.9 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.113 0.483 . . . . 0.0 110.591 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.06 -36.21 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.382 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.88 -9.0 12.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.506 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.2 t -56.08 -33.51 65.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.541 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.4 p -78.91 -10.27 59.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.711 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.647 179.466 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.797 0.332 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 37.9 p-10 -63.5 152.19 86.14 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.588 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.44 -19.9 68.84 Favored 'Trans proline' 0 C--N 1.304 -1.813 0 C-N-CA 122.849 2.366 . . . . 0.0 111.997 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.05 -13.06 57.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.33 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.72 -25.02 59.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.177 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.45 -37.96 82.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.279 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -63.78 -37.82 88.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.538 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.491 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.6 mp -61.42 -44.53 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.916 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 92.1 m -61.4 -41.74 97.62 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -62.43 -39.79 94.47 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 7.2 t -54.99 -48.2 73.62 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.292 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.49 -43.57 98.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.266 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -62.24 -42.02 98.94 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.403 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.62 -41.51 99.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.348 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.29 -39.62 92.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.134 0.492 . . . . 0.0 110.571 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.1 -36.12 80.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.79 -8.97 12.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.402 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 39.6 t -56.28 -33.87 65.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.543 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 91.6 p -78.58 -10.55 59.77 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.735 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.652 179.401 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.889 0.376 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -63.61 151.78 87.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.575 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.22 -19.81 67.99 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.862 2.375 . . . . 0.0 112.016 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.38 -12.56 53.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.155 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.94 -25.23 60.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.222 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.42 -37.26 80.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.462 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -64.49 -37.98 89.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.634 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . 0.501 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.5 mp -61.37 -44.39 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 81.2 m -61.2 -42.01 97.83 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -62.61 -39.55 94.14 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 7.6 t -54.88 -48.09 73.44 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.842 0.353 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.75 -43.37 98.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.188 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.44 -42.15 99.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.276 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 mt -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.445 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.19 -39.3 92.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.621 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.98 -36.95 82.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.467 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.12 -8.76 8.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.403 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 42.1 t -56.16 -33.82 65.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.559 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 92.0 p -78.84 -11.18 59.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.714 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.64 179.512 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 120.997 0.427 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 10.7 p-10 -60.14 150.82 69.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.068 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.439 ' O ' ' OE1' ' A' ' 6' ' ' GLU . 36.9 Cg_endo -64.44 -19.1 65.0 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.531 2.154 . . . . 0.0 111.931 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.57 -11.96 40.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.503 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.52 -31.92 66.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.125 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' A' ' 3' ' ' PRO . 1.9 mp0 -61.73 -39.63 92.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 110.107 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -64.47 -38.78 92.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.007 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 37.4 mm -62.63 -42.2 95.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.2 m -60.73 -42.8 98.02 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -63.91 -38.6 91.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.194 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 t -53.89 -48.37 70.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.116 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.0 -42.1 97.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.14 0.495 . . . . 0.0 110.735 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.43 -38.75 92.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.709 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.03 -41.75 98.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.597 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.448 ' O ' ' OG ' ' A' ' 18' ' ' SER . 90.6 mt -64.81 -39.14 93.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.989 0.423 . . . . 0.0 110.5 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.92 -37.26 84.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.673 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.52 -10.72 27.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.43 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 15' ' ' LEU . 93.6 p -59.73 -21.81 61.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.937 0.398 . . . . 0.0 110.907 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m -81.17 -17.12 50.84 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.445 ' C ' ' H ' ' B' ' 2' ' ' ASN . 50.4 m . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.79 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.98 0.419 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.482 ' N ' ' OD1' ' B' ' 2' ' ' ASN . 10.3 p-10 -60.07 150.9 68.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.083 -178.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . 0.417 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 37.0 Cg_endo -64.31 -18.89 64.8 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.555 2.17 . . . . 0.0 111.935 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.92 -12.2 46.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.553 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.63 -31.79 66.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.042 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.417 ' OE1' ' O ' ' B' ' 3' ' ' PRO . 1.7 mp0 -61.71 -39.77 92.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.885 0.374 . . . . 0.0 110.093 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -64.48 -38.81 92.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.989 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 37.7 mm -62.7 -42.03 94.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 78.3 m -60.54 -42.99 97.63 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -63.4 -38.78 92.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.451 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 18.8 t -54.16 -48.4 70.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.352 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -63.87 -41.99 97.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.112 0.482 . . . . 0.0 110.584 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -64.41 -39.03 93.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.78 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 25.9 mt -61.88 -41.9 98.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.595 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.438 ' O ' ' OG ' ' B' ' 18' ' ' SER . 90.9 mt -64.68 -39.2 93.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.054 0.454 . . . . 0.0 110.379 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.02 -36.79 82.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.618 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.98 -10.66 31.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.585 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' B' ' 15' ' ' LEU . 92.1 p -59.63 -22.04 61.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.903 0.382 . . . . 0.0 110.998 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 66.2 m -81.0 -17.22 51.1 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.803 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.449 ' C ' ' H ' ' C' ' 2' ' ' ASN . 40.3 m . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.688 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.955 0.407 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' C' ' 2' ' ' ASN . 11.0 p-10 -60.1 150.91 68.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.142 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' PRO . . . . . 0.428 ' O ' ' OE1' ' C' ' 6' ' ' GLU . 36.6 Cg_endo -64.32 -19.12 65.29 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.51 2.14 . . . . 0.0 112.009 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.64 -11.94 40.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.562 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.62 -32.13 66.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.121 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' C' ' 3' ' ' PRO . 1.7 mp0 -61.71 -39.48 91.64 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.114 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -64.67 -38.88 92.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.074 0.464 . . . . 0.0 110.077 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 37.3 mm -62.55 -42.04 94.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 80.4 m -60.68 -42.81 97.85 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -63.71 -38.62 91.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.245 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 17.3 t -53.99 -48.27 70.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.204 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -64.18 -42.01 96.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.977 0.418 . . . . 0.0 110.774 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.6 -38.77 92.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.83 -41.95 98.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.648 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.45 ' O ' ' OG ' ' C' ' 18' ' ' SER . 89.5 mt -64.87 -39.16 93.1 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.057 0.456 . . . . 0.0 110.442 179.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.98 -36.91 82.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.632 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.66 -10.84 29.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.476 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' C' ' 15' ' ' LEU . 93.0 p -59.77 -21.58 60.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.953 0.406 . . . . 0.0 110.925 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 72.5 m -80.95 -17.52 50.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.464 ' C ' ' H ' ' A' ' 2' ' ' ASN . 39.8 m . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.847 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 N--CA 1.466 0.348 0 CA-C-O 121.171 0.51 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.412 ' OD1' ' OG ' ' C' ' 20' ' ' SER . 0.4 OUTLIER -62.9 155.03 73.85 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.139 -179.493 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.19 -23.97 39.22 Favored 'Trans proline' 0 N--CA 1.501 1.933 0 C-N-CA 122.482 2.121 . . . . 0.0 111.968 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.55 -13.25 28.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.414 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.34 -29.16 65.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.33 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.93 -40.79 96.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.126 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.71 -38.36 88.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.89 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.7 mm -62.64 -42.02 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.819 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.5 m -60.66 -42.65 97.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.176 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -62.43 -41.21 98.55 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.7 t -60.03 -41.2 91.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.392 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.96 -41.65 96.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.069 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -62.43 -39.82 94.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.259 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.37 -41.23 98.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.036 0.446 . . . . 0.0 110.232 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.54 -39.87 94.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.192 0.52 . . . . 0.0 110.406 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.58 -33.06 74.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -62.4 -8.07 5.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.193 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.0 t -56.3 -34.01 66.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 64.2 m -81.16 -10.79 59.58 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.417 ' OG ' ' OD1' ' B' ' 2' ' ' ASN . 18.9 t . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.747 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 121.192 0.52 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.417 ' OD1' ' OG ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -62.65 155.06 71.51 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.124 -179.712 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.02 -24.22 38.9 Favored 'Trans proline' 0 N--CA 1.5 1.903 0 C-N-CA 122.29 1.993 . . . . 0.0 112.052 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.61 -13.35 30.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.375 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.23 -29.3 65.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.289 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.0 -41.0 97.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 0.0 110.262 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -65.58 -38.35 89.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.062 0.458 . . . . 0.0 109.903 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 38.1 mm -62.62 -42.06 94.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.928 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 87.4 m -60.41 -42.56 96.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.075 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -62.15 -41.65 98.49 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 37.0 t -59.87 -41.13 90.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.592 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.04 -41.74 97.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.136 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -62.3 -39.82 94.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.208 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.24 -41.52 99.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.07 0.462 . . . . 0.0 110.192 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.53 -39.48 93.83 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.147 0.498 . . . . 0.0 110.409 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.62 -33.25 74.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.776 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.55 -8.12 5.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.187 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.6 t -56.13 -33.49 65.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.955 0.407 . . . . 0.0 110.399 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.0 m -81.04 -12.26 59.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.787 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.523 179.448 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 62.8 mttp . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 121.086 0.47 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.67 154.87 72.57 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.221 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.0 -23.85 37.01 Favored 'Trans proline' 0 N--CA 1.501 1.925 0 C-N-CA 122.327 2.018 . . . . 0.0 112.059 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -62.74 -13.29 31.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.455 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.35 -29.3 65.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.345 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.83 -40.91 96.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.992 0.425 . . . . 0.0 110.267 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -65.46 -38.31 89.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.028 0.442 . . . . 0.0 109.846 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 37.2 mm -62.59 -42.05 94.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.861 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 82.0 m -60.6 -42.61 97.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.16 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 64.7 ttp85 -62.31 -41.65 98.7 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 34.9 t -59.83 -40.91 90.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.477 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -61.24 -41.38 96.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.123 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -62.59 -39.88 95.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.235 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.35 -41.32 98.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.08 0.467 . . . . 0.0 110.261 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.63 -39.79 94.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.258 0.552 . . . . 0.0 110.55 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.58 -33.29 74.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.68 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.46 -7.96 5.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.144 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 38.5 t -56.25 -33.84 65.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.535 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 67.8 m -80.71 -12.13 59.52 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.819 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.412 ' OG ' ' OD1' ' A' ' 2' ' ' ASN . 20.6 t . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.535 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.017 0.437 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.1 p-10 -61.18 149.96 80.76 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.546 -178.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -63.19 -24.23 72.68 Favored 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 122.701 2.267 . . . . 0.0 112.376 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 4' ' ' GLU . 56.2 mp0 -64.11 -13.06 45.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.652 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.14 -25.42 61.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.223 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -60.42 -35.89 76.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.018 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.448 ' CD ' HH11 ' A' ' 10' ' ' ARG . 48.8 tp10 -62.23 -39.96 94.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.992 0.425 . . . . 0.0 110.455 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.501 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -61.36 -42.41 93.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 86.7 m -60.56 -42.8 97.33 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.448 HH11 ' CD ' ' A' ' 7' ' ' GLU . 59.7 ttp180 -63.24 -41.27 99.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.095 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.4 t -55.07 -43.67 74.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.1 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.81 -40.12 96.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.248 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.63 -41.6 97.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.197 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.4 mt -62.74 -41.71 99.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.005 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.95 -39.71 94.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.508 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.24 -36.66 82.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.459 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.408 ' O ' ' OG ' ' A' ' 20' ' ' SER . 98.4 m-20 -64.67 -10.68 28.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.474 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -59.11 -24.43 62.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.94 0.4 . . . . 0.0 110.626 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.6 t -83.98 -18.32 37.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.986 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.429 ' C ' ' H ' ' B' ' 2' ' ' ASN . 61.1 p . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.805 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.949 0.404 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.429 ' H ' ' C ' ' A' ' 20' ' ' SER . 44.3 p-10 -61.24 149.99 80.96 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.615 -178.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -63.66 -23.04 70.05 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.461 ' OE2' ' N ' ' B' ' 4' ' ' GLU . 54.9 mp0 -65.14 -12.79 54.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.681 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.36 -25.44 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.137 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -60.44 -35.73 76.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.096 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.448 ' CD ' HH11 ' B' ' 10' ' ' ARG . 49.3 tp10 -62.45 -39.51 93.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.921 0.391 . . . . 0.0 110.398 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.489 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -61.7 -42.75 95.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 88.0 m -60.55 -42.74 97.18 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.448 HH11 ' CD ' ' B' ' 7' ' ' GLU . 59.5 ttp180 -63.09 -41.71 99.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.167 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 13.2 t -54.99 -42.72 72.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.263 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.52 -39.89 95.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.117 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.51 -41.79 97.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.217 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 mt -62.74 -41.61 99.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.26 -39.64 94.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.452 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.5 -36.0 81.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.334 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . 0.437 ' O ' ' OG ' ' B' ' 20' ' ' SER . 99.1 m-20 -65.37 -10.46 33.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.608 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 95.9 p -59.11 -25.75 64.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.741 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.1 t -82.37 -18.63 41.38 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.01 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.444 ' C ' ' H ' ' C' ' 2' ' ' ASN . 76.7 p . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.707 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.914 0.388 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' ASN . . . . . 0.444 ' H ' ' C ' ' B' ' 20' ' ' SER . 46.3 p-10 -61.46 149.77 82.65 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.671 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.54 -23.52 70.57 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' C' ' 4' ' ' GLU . 55.7 mp0 -64.5 -12.9 48.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.759 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.06 -25.09 60.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.189 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -60.67 -35.64 76.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.106 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . 0.469 ' OE2' ' NH1' ' C' ' 10' ' ' ARG . 49.4 tp10 -62.67 -39.7 94.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.003 0.43 . . . . 0.0 110.306 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . 0.498 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.5 mp -61.74 -42.54 94.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 93.5 m -60.68 -43.0 98.23 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.469 ' NH1' ' OE2' ' C' ' 7' ' ' GLU . 59.2 ttp180 -62.79 -41.45 99.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.051 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 t -54.94 -43.2 73.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.297 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.36 -39.83 95.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.088 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.58 -41.98 98.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.263 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.61 -41.5 99.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.3 -39.76 94.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.584 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.46 -36.18 81.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.32 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . 0.425 ' O ' ' OG ' ' C' ' 20' ' ' SER . 98.4 m-20 -64.84 -10.88 31.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.395 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 94.4 p -59.07 -24.88 63.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.995 0.426 . . . . 0.0 110.814 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 21.2 t -83.33 -18.23 39.65 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.036 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' C' ' 17' ' ' ASP . 71.1 p . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.5 mttp . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.966 0.412 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.459 ' H ' ' C ' ' C' ' 20' ' ' SER . 19.3 p-10 -61.24 149.99 80.94 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.859 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.529 ' O ' ' OE2' ' A' ' 6' ' ' GLU . 33.0 Cg_endo -64.43 -21.39 66.39 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 122.679 2.253 . . . . 0.0 111.847 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -65.13 -12.49 51.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.204 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.69 -36.99 75.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.178 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.529 ' OE2' ' O ' ' A' ' 3' ' ' PRO . 15.8 mp0 -61.52 -37.63 84.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.892 0.377 . . . . 0.0 110.381 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.447 ' CD ' HH11 ' A' ' 10' ' ' ARG . 49.9 tp10 -63.24 -38.12 89.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.057 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.419 HD11 HG21 ' A' ' 8' ' ' ILE . 39.0 mm -62.19 -41.72 92.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.742 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.0 m -60.36 -42.37 95.61 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.447 HH11 ' CD ' ' A' ' 7' ' ' GLU . 57.4 ttp180 -62.86 -41.44 99.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.339 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.5 t -56.11 -44.07 78.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.915 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -61.9 -41.9 98.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.351 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -60.8 -40.34 92.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.182 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.85 -41.56 97.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.489 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.68 -42.14 95.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.986 0.422 . . . . 0.0 110.517 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.34 -38.53 91.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.629 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.36 -10.28 31.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.315 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.0 p -59.09 -21.66 59.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.697 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.9 t -80.8 -17.43 50.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.893 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.46 ' C ' ' H ' ' B' ' 2' ' ' ASN . 23.6 t . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.611 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.7 mttp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.855 0.36 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.46 ' H ' ' C ' ' A' ' 20' ' ' SER . 17.3 p-10 -61.2 149.74 81.53 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.82 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . 0.497 ' O ' ' OE2' ' B' ' 6' ' ' GLU . 32.7 Cg_endo -64.14 -21.79 67.6 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 122.643 2.229 . . . . 0.0 111.956 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.8 -12.77 51.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.209 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.46 -36.85 74.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.127 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.497 ' OE2' ' O ' ' B' ' 3' ' ' PRO . 13.6 mp0 -61.54 -37.27 83.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 110.451 178.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.491 ' CD ' HH11 ' B' ' 10' ' ' ARG . 50.0 tp10 -63.74 -38.34 90.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.031 0.443 . . . . 0.0 110.05 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.4 HD11 HG21 ' B' ' 8' ' ' ILE . 38.1 mm -62.0 -41.51 91.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.718 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 94.6 m -60.54 -42.5 96.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.491 HH11 ' CD ' ' B' ' 7' ' ' GLU . 57.0 ttp180 -62.45 -42.24 99.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.369 179.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 35.5 t -55.75 -43.55 76.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.251 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -62.08 -41.27 98.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.315 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -61.43 -40.07 93.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.219 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.02 -41.81 98.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.606 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.67 -41.93 95.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.028 0.442 . . . . 0.0 110.526 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.71 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.618 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -65.82 -9.97 33.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.215 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 91.1 p -59.28 -21.72 60.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.681 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 37.1 t -80.69 -17.38 51.31 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.895 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.463 ' C ' ' H ' ' C' ' 2' ' ' ASN . 23.0 t . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.622 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.886 0.374 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' ASN . . . . . 0.463 ' H ' ' C ' ' B' ' 20' ' ' SER . 16.6 p-10 -61.57 149.89 82.82 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.76 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' PRO . . . . . 0.52 ' O ' ' OE2' ' C' ' 6' ' ' GLU . 34.1 Cg_endo -64.47 -21.72 66.0 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 122.685 2.257 . . . . 0.0 111.929 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -64.73 -12.52 47.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.187 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.74 -36.99 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.181 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . 0.52 ' OE2' ' O ' ' C' ' 3' ' ' PRO . 15.4 mp0 -61.51 -37.34 83.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 110.402 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . 0.485 ' CD ' HH11 ' C' ' 10' ' ' ARG . 50.3 tp10 -63.65 -38.16 90.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.12 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 38.7 mm -62.07 -41.43 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -60.7 -42.5 97.32 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.485 HH11 ' CD ' ' C' ' 7' ' ' GLU . 57.4 ttp180 -62.6 -42.01 99.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.951 0.405 . . . . 0.0 110.293 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 35.5 t -55.94 -43.68 77.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.221 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.29 -41.24 98.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.281 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -61.49 -39.8 92.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.164 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.11 -41.76 98.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.505 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.78 -41.89 95.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.954 0.407 . . . . 0.0 110.472 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.82 -38.07 89.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.743 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.89 -10.03 34.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.362 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 90.8 p -59.2 -21.7 59.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.601 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 36.7 t -80.24 -17.96 50.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.883 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.459 ' C ' ' H ' ' A' ' 2' ' ' ASN . 23.8 t . . . . . 0 C--N 1.32 -0.676 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.548 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt . . . . . 0 CA--C 1.516 -0.357 0 CA-C-O 121.106 0.479 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.476 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -66.99 154.73 91.86 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.069 -178.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -56.44 -21.1 35.9 Favored 'Trans proline' 0 N--CA 1.502 1.975 0 C-N-CA 122.313 2.009 . . . . 0.0 112.063 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.1 -15.81 47.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.515 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.75 -26.72 64.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.383 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.21 -38.11 85.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.306 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.515 ' OE2' ' NH1' ' A' ' 10' ' ' ARG . 49.7 tp10 -63.04 -38.79 92.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.307 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.489 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.4 mp -61.44 -42.43 93.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.847 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.4 m -60.48 -43.42 96.98 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.896 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.515 ' NH1' ' OE2' ' A' ' 7' ' ' GLU . 60.2 ttp180 -63.49 -42.16 98.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.078 0.466 . . . . 0.0 110.501 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -56.7 -44.5 81.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.11 -42.3 98.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.374 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.63 -42.04 96.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.283 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.81 -42.07 99.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.776 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.93 -40.13 94.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.192 0.52 . . . . 0.0 110.451 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.6 -34.86 77.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.579 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.37 -9.33 11.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.411 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.4 m -57.61 -33.62 68.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.64 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -79.29 -16.1 56.92 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.669 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.476 179.746 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt . . . . . 0 CA--C 1.517 -0.32 0 CA-C-O 121.118 0.485 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 0.1 OUTLIER -66.89 154.75 91.52 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.206 -178.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -56.46 -21.29 36.93 Favored 'Trans proline' 0 N--CA 1.502 1.995 0 C-N-CA 122.373 2.049 . . . . 0.0 111.99 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.94 -15.87 46.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.87 -26.82 64.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.322 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.03 -38.07 84.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.394 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.514 ' OE2' ' NH1' ' B' ' 10' ' ' ARG . 49.7 tp10 -62.97 -38.82 92.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.903 0.382 . . . . 0.0 110.372 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.497 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.4 mp -61.63 -42.39 93.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.803 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 90.2 m -60.49 -43.44 96.99 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.79 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.514 ' NH1' ' OE2' ' B' ' 7' ' ' GLU . 60.6 ttp180 -63.77 -41.97 97.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.466 178.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 16.0 t -56.77 -44.44 81.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.814 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.32 -42.37 98.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.276 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.49 -41.87 95.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.139 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.8 -42.01 99.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.84 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.405 ' O ' ' OG ' ' B' ' 18' ' ' SER . 86.4 mt -64.93 -39.98 94.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.182 0.515 . . . . 0.0 110.596 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.81 -34.64 77.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.469 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.25 -9.56 12.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.386 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' B' ' 15' ' ' LEU . 65.2 m -57.39 -33.6 68.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.122 0.486 . . . . 0.0 110.515 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -79.35 -16.04 56.93 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.476 179.721 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt . . . . . 0 CA--C 1.516 -0.361 0 CA-C-O 121.088 0.471 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' C' ' 2' ' ' ASN . 0.1 OUTLIER -66.98 154.71 91.86 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.11 -178.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.47 -21.3 37.05 Favored 'Trans proline' 0 N--CA 1.501 1.967 0 C-N-CA 122.393 2.062 . . . . 0.0 112.137 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.86 -15.77 44.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.537 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.81 -26.72 64.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.27 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.15 -38.23 85.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.444 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . 0.505 ' CD ' HH11 ' C' ' 10' ' ' ARG . 49.9 tp10 -63.07 -38.7 92.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.863 0.363 . . . . 0.0 110.277 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . 0.496 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.4 mp -61.68 -42.44 94.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.865 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 93.0 m -60.37 -43.48 96.54 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.857 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.505 HH11 ' CD ' ' C' ' 7' ' ' GLU . 60.4 ttp180 -63.58 -42.11 98.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.042 0.449 . . . . 0.0 110.318 178.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 11.1 t -56.57 -44.78 81.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.06 -42.29 98.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.329 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -60.54 -42.04 95.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.304 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.81 -42.02 99.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.749 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.79 -40.15 94.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.204 0.526 . . . . 0.0 110.527 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.62 -34.92 78.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.618 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.31 -9.23 10.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.448 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 68.6 m -57.66 -33.82 68.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -79.36 -16.24 56.6 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.794 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.609 179.826 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.097 0.475 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.561 ' H ' ' HG ' ' C' ' 20' ' ' SER . 0.0 OUTLIER -65.48 153.68 89.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.95 -178.803 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.46 -25.51 58.41 Favored 'Trans proline' 0 N--CA 1.499 1.796 0 C-N-CA 122.458 2.105 . . . . 0.0 112.237 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.03 -19.99 63.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.506 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.38 -32.7 68.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.257 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.59 -36.3 80.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.175 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.509 ' OE2' ' NH1' ' A' ' 10' ' ' ARG . 48.2 tp10 -62.31 -40.35 96.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.944 0.402 . . . . 0.0 110.147 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.434 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.7 mp -61.51 -43.37 96.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.064 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.3 m -61.04 -42.54 98.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.147 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.509 ' NH1' ' OE2' ' A' ' 7' ' ' GLU . 58.3 ttp180 -60.38 -35.3 75.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.113 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.45 ' O ' HD22 ' A' ' 15' ' ' LEU . 9.9 t -52.22 -41.67 62.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.369 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.36 -38.34 83.53 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.561 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.51 -38.96 89.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.164 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.36 -43.16 99.46 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.699 -179.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 3.9 mm? -63.07 -42.72 99.74 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.375 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.14 -39.88 93.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.248 0.547 . . . . 0.0 110.408 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -68.52 -11.56 60.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.396 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 15' ' ' LEU . 83.0 p -58.64 -26.46 63.77 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.39 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.8 p -85.43 -14.17 47.04 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.159 0.504 . . . . 0.0 110.948 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.522 ' HG ' ' H ' ' B' ' 2' ' ' ASN . 45.7 t . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.786 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 121.033 0.444 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.522 ' H ' ' HG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -65.54 153.61 90.02 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.902 -178.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -56.68 -25.44 60.07 Favored 'Trans proline' 0 N--CA 1.499 1.8 0 C-N-CA 122.502 2.134 . . . . 0.0 112.129 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.1 -19.83 63.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.58 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.46 -32.63 68.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.394 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.44 -35.95 79.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.187 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.506 ' OE2' ' NH1' ' B' ' 10' ' ' ARG . 48.2 tp10 -62.41 -40.13 95.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.425 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.7 mp -61.87 -43.48 97.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.348 -0.387 . . . . 0.0 109.987 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -60.9 -42.56 98.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.193 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.506 ' NH1' ' OE2' ' B' ' 7' ' ' GLU . 57.9 ttp180 -60.48 -35.54 76.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.993 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . 0.457 ' O ' HD22 ' B' ' 15' ' ' LEU . 10.8 t -52.08 -41.51 62.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.368 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.4 -38.34 83.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.823 0.344 . . . . 0.0 110.514 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.37 -39.15 89.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.214 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.17 -43.41 98.9 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.671 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' B' ' 15' ' ' LEU . 3.9 mm? -63.05 -42.73 99.8 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.327 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -65.24 -39.72 93.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.246 0.546 . . . . 0.0 110.315 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.44 -11.5 59.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.264 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' B' ' 15' ' ' LEU . 82.7 p -58.75 -26.81 64.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.427 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.3 p -85.45 -14.47 46.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.942 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.533 ' HG ' ' H ' ' C' ' 2' ' ' ASN . 40.8 t . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.77 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 121.095 0.474 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' ASN . . . . . 0.533 ' H ' ' HG ' ' B' ' 20' ' ' SER . 0.0 OUTLIER -65.34 153.58 89.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.93 -178.867 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.56 -25.48 59.17 Favored 'Trans proline' 0 N--CA 1.499 1.835 0 C-N-CA 122.582 2.188 . . . . 0.0 112.128 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.06 -19.53 63.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.46 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.0 69.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.191 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.44 -36.72 81.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.161 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . 0.519 ' OE2' ' NH1' ' C' ' 10' ' ' ARG . 47.7 tp10 -62.02 -40.44 95.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.119 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . 0.434 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.7 mp -61.55 -43.28 96.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.014 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.8 m -61.08 -42.52 98.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.319 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.519 ' NH1' ' OE2' ' C' ' 7' ' ' GLU . 58.2 ttp180 -60.49 -35.3 75.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.027 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . 0.46 ' O ' HD22 ' C' ' 15' ' ' LEU . 9.5 t -52.24 -41.26 62.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.402 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.47 -38.01 82.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.813 0.339 . . . . 0.0 110.465 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.0 -39.01 90.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.157 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.2 -43.3 99.15 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.656 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' C' ' 15' ' ' LEU . 4.0 mm? -63.08 -42.79 99.72 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.488 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.1 -39.62 93.39 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.323 0.582 . . . . 0.0 110.482 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -68.91 -11.33 60.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.304 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' C' ' 15' ' ' LEU . 84.2 p -58.5 -26.23 63.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.346 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 83.7 p -85.89 -14.65 44.21 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.899 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.561 ' HG ' ' H ' ' A' ' 2' ' ' ASN . 43.6 t . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.724 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.944 0.402 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -61.58 149.61 83.67 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.887 -179.276 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.39 -20.67 66.53 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.706 2.271 . . . . 0.0 112.048 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.48 -14.33 56.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.392 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.95 -25.6 63.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.364 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -60.56 -36.8 79.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.454 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.403 ' OE1' ' NH1' ' A' ' 10' ' ' ARG . 47.3 tp10 -62.58 -39.47 93.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.402 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.529 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.6 mp -61.92 -42.54 95.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.966 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.9 m -61.03 -42.13 97.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.885 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.403 ' NH1' ' OE1' ' A' ' 7' ' ' GLU . 58.0 ttp180 -62.58 -41.25 98.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.097 0.475 . . . . 0.0 110.026 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.49 -40.36 91.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.409 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -59.9 -43.29 94.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.865 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.1 -39.74 95.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.056 0.455 . . . . 0.0 110.33 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.42 -41.92 99.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.916 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.427 ' O ' ' OG ' ' A' ' 18' ' ' SER . 94.8 mt -63.17 -42.4 99.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.268 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.06 -40.08 75.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.409 0.623 . . . . 0.0 110.626 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -69.49 -9.87 55.66 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.243 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 15' ' ' LEU . 84.8 p -58.85 -21.72 57.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.408 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.4 m -82.64 -11.47 58.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.783 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.658 179.711 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.76 0.314 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.441 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 0.1 OUTLIER -61.31 149.66 82.32 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.044 -179.309 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.85 -20.35 64.55 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.671 2.247 . . . . 0.0 112.018 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -64.49 -14.38 56.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.83 -25.57 63.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.494 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -60.57 -36.88 79.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.383 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.58 -38.96 92.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.246 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.52 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.6 mp -62.22 -42.42 95.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.984 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 90.8 m -61.18 -42.05 97.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.852 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -62.59 -41.7 99.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.076 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.06 -40.08 88.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.484 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.29 -43.6 96.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.974 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.07 -39.75 95.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.068 0.461 . . . . 0.0 109.97 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.86 -42.72 99.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.993 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.86 -42.67 99.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.316 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -69.53 -39.96 77.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.363 0.602 . . . . 0.0 110.641 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -69.53 -9.66 54.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.165 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 67.1 p -58.7 -22.54 57.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.573 -178.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -81.94 -12.9 58.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.717 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.71 179.562 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.825 0.345 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 2' ' ' ASN . . . . . 0.462 ' O ' ' ND2' ' C' ' 2' ' ' ASN . 0.1 OUTLIER -61.42 149.77 82.49 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 -179.161 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.31 -21.32 67.02 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.63 2.22 . . . . 0.0 112.106 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.55 -14.31 50.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.41 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.81 -25.6 63.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.331 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -60.59 -37.16 80.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.554 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -62.41 -39.09 92.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.426 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.6 mp -62.25 -42.34 94.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.019 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 88.2 m -61.49 -41.95 98.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.81 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -62.6 -41.24 98.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.075 0.464 . . . . 0.0 110.12 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.82 -39.96 90.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.506 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -60.17 -43.34 95.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.993 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.05 -39.57 95.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.947 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.24 -42.46 99.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.979 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.456 ' O ' ' OG ' ' C' ' 18' ' ' SER . 96.9 mt -62.8 -42.61 99.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.291 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.06 -39.91 75.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.363 0.601 . . . . 0.0 110.659 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.54 -10.12 56.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.487 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' C' ' 15' ' ' LEU . 92.8 p -58.63 -21.88 55.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.439 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 74.5 m -82.49 -12.82 57.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.876 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.403 ' C ' ' H ' ' A' ' 2' ' ' ASN . 19.8 m . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 121.126 0.488 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' C' ' 20' ' ' SER . 33.5 p-10 -63.86 150.08 91.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.239 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.25 -18.99 65.32 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.377 2.051 . . . . 0.0 111.952 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -63.65 -14.9 56.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.635 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.32 -26.64 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.503 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.27 -38.2 85.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.197 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -62.69 -38.05 88.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.767 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.515 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -62.15 -44.86 99.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.8 m -61.95 -43.19 99.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 109.871 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -63.34 -40.61 97.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.736 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 t -54.21 -45.5 72.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.763 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -62.04 -42.86 99.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.083 0.468 . . . . 0.0 109.976 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -61.81 -38.98 90.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.375 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.2 mt -62.12 -41.96 98.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.513 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.54 -41.47 96.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.095 0.474 . . . . 0.0 110.411 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.42 -37.05 85.78 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.164 0.507 . . . . 0.0 110.574 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.72 -9.4 19.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.637 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.7 p -59.02 -22.74 61.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 110.7 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.9 m -84.07 -13.2 53.7 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.72 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.662 179.645 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 CA--C 1.522 -0.1 0 CA-C-O 121.005 0.431 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -64.19 150.13 93.0 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.161 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -64.37 -18.96 64.95 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.388 2.058 . . . . 0.0 112.089 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -63.57 -15.18 57.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.625 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.24 -26.6 63.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.583 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -61.21 -38.41 86.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -62.61 -38.04 88.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.809 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.504 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -62.03 -44.71 99.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.7 m -62.1 -43.24 99.26 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -63.33 -40.75 98.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.719 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -53.92 -45.51 71.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.797 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -62.1 -42.89 99.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.13 0.49 . . . . 0.0 109.93 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -61.76 -39.04 90.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.344 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 71.6 mt -61.98 -42.0 98.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.575 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.69 -41.36 96.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.029 0.442 . . . . 0.0 110.422 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.44 -36.94 85.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.184 0.516 . . . . 0.0 110.628 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.86 -9.28 19.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.705 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 95.4 p -58.85 -22.83 59.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.014 0.435 . . . . 0.0 110.722 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -84.12 -13.41 53.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.642 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.738 179.726 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.97 0.414 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -64.22 150.18 93.01 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.243 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.35 -18.99 65.07 Favored 'Trans proline' 0 N--CA 1.499 1.798 0 C-N-CA 122.397 2.065 . . . . 0.0 112.059 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -63.7 -14.92 56.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.622 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.26 -26.71 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.472 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.18 -38.4 86.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.115 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -62.71 -38.06 88.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.708 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . 0.507 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.6 mp -62.11 -44.71 99.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -61.87 -43.27 99.19 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -63.28 -40.76 98.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.748 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 10.8 t -53.96 -45.62 71.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.664 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -61.97 -42.94 99.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.082 0.468 . . . . 0.0 109.945 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -61.82 -39.01 90.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.363 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.07 -42.03 98.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.598 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.7 -41.42 96.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.976 0.417 . . . . 0.0 110.388 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.58 -36.96 85.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.174 0.511 . . . . 0.0 110.569 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.54 -9.61 20.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.484 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 94.9 p -58.78 -22.68 58.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.966 0.413 . . . . 0.0 110.753 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 69.2 m -83.94 -13.39 53.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.805 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 2' ' ' ASN . 26.0 t . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.659 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.521 -0.146 0 CA-C-O 120.948 0.404 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' C' ' 20' ' ' SER . 24.3 p-10 -62.2 151.51 81.32 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.015 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.405 ' O ' ' OE1' ' A' ' 6' ' ' GLU . 35.3 Cg_endo -63.04 -19.01 68.0 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.457 2.105 . . . . 0.0 111.952 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.08 -13.92 59.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.507 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.59 -27.76 64.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.52 ' N ' ' OE2' ' A' ' 6' ' ' GLU . 0.9 OUTLIER -61.11 -37.7 83.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.783 0.325 . . . . 0.0 110.147 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.486 ' OE2' ' NH1' ' A' ' 10' ' ' ARG . 48.5 tp10 -62.69 -39.06 92.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.879 0.371 . . . . 0.0 110.454 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.507 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.4 mp -61.74 -42.36 94.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.1 m -60.44 -43.09 97.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.486 ' NH1' ' OE2' ' A' ' 7' ' ' GLU . 61.1 ttp180 -62.9 -42.15 99.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.046 0.451 . . . . 0.0 110.116 178.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 t -58.68 -40.48 83.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.436 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.12 -42.2 98.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.154 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -60.56 -41.87 95.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.085 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.33 -42.46 99.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.403 ' O ' ' OG ' ' A' ' 18' ' ' SER . 94.3 mt -65.23 -42.06 93.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.09 0.471 . . . . 0.0 110.616 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.55 -37.79 88.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.739 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.31 -9.89 28.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.439 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 15' ' ' LEU . 94.9 p -58.89 -23.82 61.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.883 0.373 . . . . 0.0 110.772 -179.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.5 p -82.93 -13.16 56.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.953 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.411 ' C ' ' H ' ' B' ' 2' ' ' ASN . 35.2 t . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.955 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 121.022 0.439 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' ASN . . . . . 0.411 ' H ' ' C ' ' A' ' 20' ' ' SER . 24.1 p-10 -62.02 151.45 80.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.032 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . 0.417 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 33.9 Cg_endo -62.84 -19.08 67.69 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.568 2.179 . . . . 0.0 111.871 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.98 -13.94 58.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.428 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.48 -27.92 64.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.541 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.521 ' OE2' ' N ' ' B' ' 6' ' ' GLU . 0.9 OUTLIER -61.08 -37.61 83.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.788 0.328 . . . . 0.0 110.259 179.629 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.488 ' OE2' ' NH1' ' B' ' 10' ' ' ARG . 48.4 tp10 -62.71 -39.12 93.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.34 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.501 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.4 mp -61.62 -42.43 94.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 91.9 m -60.49 -43.06 97.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.488 ' NH1' ' OE2' ' B' ' 7' ' ' GLU . 61.3 ttp180 -63.06 -41.98 99.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.977 0.418 . . . . 0.0 110.066 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 t -58.9 -40.23 83.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.558 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.33 -42.16 98.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.164 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.59 -41.79 95.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.063 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.35 -42.52 99.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.766 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.407 ' O ' ' OG ' ' B' ' 18' ' ' SER . 95.1 mt -65.2 -42.07 93.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.066 0.46 . . . . 0.0 110.554 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.61 -38.1 89.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.788 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.18 -9.8 26.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.475 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' B' ' 15' ' ' LEU . 94.6 p -58.96 -23.74 61.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.629 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -82.6 -13.39 56.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.869 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.41 ' C ' ' H ' ' C' ' 2' ' ' ASN . 32.9 t . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.816 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.976 0.417 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 2' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' C' ' 2' ' ' ASN . 24.6 p-10 -61.89 151.55 79.41 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.036 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' PRO . . . . . 0.406 ' O ' ' OE1' ' C' ' 6' ' ' GLU . 35.9 Cg_endo -63.19 -18.85 66.95 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 122.466 2.11 . . . . 0.0 111.851 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.02 -13.99 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.581 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.65 -27.8 65.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . 0.52 ' N ' ' OE2' ' C' ' 6' ' ' GLU . 0.9 OUTLIER -61.08 -37.68 83.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.188 179.676 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . 0.497 ' OE2' ' NH1' ' C' ' 10' ' ' ARG . 48.7 tp10 -62.74 -39.1 93.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 0.0 110.409 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' ILE . . . . . 0.495 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.4 mp -61.67 -42.3 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 90.6 m -60.54 -43.02 97.65 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.624 -0.43 . . . . 0.0 109.876 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.497 ' NH1' ' OE2' ' C' ' 7' ' ' GLU . 61.1 ttp180 -62.97 -41.99 99.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.97 0.414 . . . . 0.0 110.122 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 15.6 t -58.87 -40.22 83.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.571 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -61.12 -42.19 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.12 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.7 -41.63 95.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.045 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.41 -42.54 99.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.823 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.4 ' O ' ' OG ' ' C' ' 18' ' ' SER . 93.9 mt -65.33 -42.04 93.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.021 0.439 . . . . 0.0 110.555 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.58 -37.97 89.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.807 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.26 -9.89 27.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.385 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' C' ' 15' ' ' LEU . 94.7 p -58.96 -23.57 61.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.631 -179.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 84.7 p -82.85 -13.7 55.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.889 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.41 ' C ' ' H ' ' A' ' 2' ' ' ASN . 36.7 t . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.916 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.972 0.415 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.414 HD22 ' HB3' ' C' ' 17' ' ' ASP . 38.7 p-10 -66.75 150.37 97.65 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.67 -19.5 59.74 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.636 2.224 . . . . 0.0 112.013 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.97 -17.94 63.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.426 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.76 -27.27 64.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.254 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.43 -36.67 81.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.285 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.536 ' OE1' ' NH1' ' A' ' 10' ' ' ARG . 42.3 tp10 -61.94 -40.2 94.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.99 0.424 . . . . 0.0 110.703 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.502 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.7 mp -61.9 -42.06 93.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.194 0.521 . . . . 0.0 109.779 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.0 m -60.45 -41.31 93.82 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.729 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.536 ' NH1' ' OE1' ' A' ' 7' ' ' GLU . 57.9 ttp180 -61.75 -41.77 98.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.163 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.3 m -55.14 -45.01 75.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.311 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.13 -44.5 92.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.387 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.9 -39.21 93.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.119 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.0 mt -62.54 -42.11 99.32 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.051 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.16 -42.69 99.48 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.366 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -66.28 -39.95 89.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.358 0.599 . . . . 0.0 110.685 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -68.08 -11.32 58.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.427 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -56.12 -30.09 61.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.3 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -80.77 -11.65 59.58 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.853 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.407 ' C ' ' H ' ' B' ' 2' ' ' ASN . 12.2 m . . . . . 0 C--N 1.318 -0.768 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.74 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 20' ' ' SER . 39.2 p-10 -67.66 150.32 97.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.913 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.71 -19.25 59.59 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.631 2.221 . . . . 0.0 111.999 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -64.23 -18.32 64.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.57 -27.07 64.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.211 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.39 -36.48 80.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.315 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.553 ' OE1' ' NH1' ' B' ' 10' ' ' ARG . 42.9 tp10 -62.13 -40.22 95.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.089 0.471 . . . . 0.0 110.72 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.5 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.7 mp -61.94 -42.32 94.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.112 0.482 . . . . 0.0 109.882 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 97.3 m -60.3 -41.16 92.86 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.707 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.553 ' NH1' ' OE1' ' B' ' 7' ' ' GLU . 57.4 ttp180 -62.0 -41.97 98.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.25 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 36.9 m -55.27 -44.18 75.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.384 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.7 -44.65 93.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.331 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.52 -39.23 92.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.995 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.39 -41.97 99.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.29 -42.42 99.06 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.349 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.71 -40.37 88.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.419 0.628 . . . . 0.0 110.778 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . 0.42 ' HB3' HD22 ' C' ' 2' ' ' ASN . 97.9 m-20 -67.61 -11.22 57.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.307 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.6 t -55.7 -30.51 61.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.361 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.2 p -80.42 -11.41 59.69 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 C--N 1.319 -0.759 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.827 179.418 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.003 0.43 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.42 HD22 ' HB3' ' B' ' 17' ' ' ASP . 40.5 p-10 -66.74 150.66 97.44 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.702 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.63 -19.88 59.95 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.703 2.269 . . . . 0.0 112.017 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -63.67 -18.21 63.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.518 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.88 63.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.65 -37.03 82.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.416 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . 0.531 ' OE1' ' NH1' ' C' ' 10' ' ' ARG . 41.6 tp10 -61.86 -40.21 94.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.055 0.455 . . . . 0.0 110.683 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . 0.506 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.6 mp -61.83 -42.31 94.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.133 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 97.2 m -60.31 -41.33 93.22 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.668 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.531 ' NH1' ' OE1' ' C' ' 7' ' ' GLU . 57.6 ttp180 -61.73 -41.75 98.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.253 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 52.6 m -55.36 -44.29 75.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.388 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.65 -44.66 93.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.892 0.377 . . . . 0.0 110.341 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -62.7 -39.03 92.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.911 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 65.2 mt -62.39 -42.42 99.41 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.024 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.19 -42.63 99.38 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.406 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -66.0 -40.44 91.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.44 0.638 . . . . 0.0 110.691 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . 0.414 ' HB3' HD22 ' A' ' 2' ' ' ASN . 97.7 m-20 -67.92 -11.14 58.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.352 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t -55.87 -29.79 60.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.456 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 84.1 p -80.65 -12.09 59.54 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.031 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 C--N 1.319 -0.75 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.984 179.611 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 CA--C 1.521 -0.159 0 CA-C-O 121.017 0.437 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.457 ' H ' ' C ' ' C' ' 20' ' ' SER . 34.2 p-10 -61.57 149.18 84.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.805 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.48 -19.42 60.93 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.605 2.203 . . . . 0.0 112.126 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.4 -13.7 52.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.525 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.72 -26.05 63.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.45 -38.64 84.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.429 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.502 ' CD ' HH11 ' A' ' 10' ' ' ARG . 9.3 tp10 -63.15 -40.71 98.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.102 0.477 . . . . 0.0 110.361 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.455 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.7 mp -62.71 -40.32 88.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.027 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.2 m -59.27 -42.98 92.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.878 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.502 HH11 ' CD ' ' A' ' 7' ' ' GLU . 96.0 mtm-85 -65.01 -37.69 88.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.059 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 t -53.33 -47.3 69.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.937 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -62.84 -43.45 98.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.419 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -62.72 -39.56 94.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.248 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.9 mt -61.98 -42.53 99.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.639 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.73 -40.53 92.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.151 0.501 . . . . 0.0 110.454 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.98 -38.06 89.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.889 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -65.72 -10.39 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.493 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.5 p -59.89 -20.46 57.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.922 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.8 p -79.77 -14.04 59.0 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.013 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.401 ' C ' ' H ' ' B' ' 2' ' ' ASN . 22.9 t . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.793 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 120.936 0.398 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' A' ' 20' ' ' SER . 34.2 p-10 -62.32 149.74 86.71 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.795 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.74 -19.33 59.39 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 122.586 2.191 . . . . 0.0 112.041 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.32 -13.9 52.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.613 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.81 -25.99 63.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.369 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.57 -38.51 84.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.292 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.533 ' CD ' HH11 ' B' ' 10' ' ' ARG . 9.7 tp10 -63.14 -41.0 99.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.132 0.491 . . . . 0.0 110.383 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.46 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.7 mp -62.81 -40.16 87.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.007 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.5 m -59.07 -42.95 91.61 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.533 HH11 ' CD ' ' B' ' 7' ' ' GLU . 96.0 mtm-85 -64.98 -37.59 88.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.216 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 9.8 t -53.42 -47.53 69.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.215 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.88 -43.17 99.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.381 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -62.71 -39.6 94.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.288 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 43.2 mt -62.0 -42.31 99.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.626 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.82 -40.64 92.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.115 0.483 . . . . 0.0 110.461 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.84 -38.24 90.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.785 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -65.86 -10.38 37.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.55 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 56.6 p -60.04 -20.48 58.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.9 p -79.33 -14.92 58.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.421 ' C ' ' H ' ' C' ' 2' ' ' ASN . 22.9 t . . . . . 0 C--N 1.319 -0.736 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.794 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.958 0.408 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' B' ' 20' ' ' SER . 33.0 p-10 -62.02 149.74 85.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.863 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.78 -19.28 59.15 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 122.633 2.222 . . . . 0.0 112.11 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.39 -13.86 53.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.587 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.71 -26.17 63.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.462 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.51 -38.57 84.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.353 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . 0.534 ' CD ' HH11 ' C' ' 10' ' ' ARG . 9.7 tp10 -63.16 -40.71 98.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.04 0.448 . . . . 0.0 110.229 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . 0.46 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.7 mp -62.66 -40.3 87.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.042 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.2 m -59.19 -43.1 92.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.906 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.534 HH11 ' CD ' ' C' ' 7' ' ' GLU . 96.0 mtm-85 -64.84 -37.63 88.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.1 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 10.4 t -53.23 -47.48 68.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.165 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.77 -43.43 98.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.372 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.61 -39.64 94.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.248 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.14 -42.26 99.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.588 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 98.3 mt -65.83 -40.55 91.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.149 0.499 . . . . 0.0 110.389 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.01 -38.36 90.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.871 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -65.62 -10.13 33.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.569 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 57.5 p -60.43 -20.18 58.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 88.7 p -79.59 -14.23 58.97 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.083 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.457 ' C ' ' H ' ' A' ' 2' ' ' ASN . 19.4 t . . . . . 0 C--N 1.319 -0.761 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.78 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.516 -0.362 0 CA-C-O 121.049 0.452 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.511 ' H ' ' C ' ' C' ' 20' ' ' SER . 14.2 p-10 -59.86 150.52 68.28 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.327 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -57.08 -28.42 78.69 Favored 'Trans proline' 0 N--CA 1.504 2.122 0 C-N-CA 122.564 2.176 . . . . 0.0 112.304 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -62.61 -12.93 26.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.644 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.19 -34.16 70.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.135 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.95 -39.43 92.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.031 0.443 . . . . 0.0 110.348 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.83 -36.27 83.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.14 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.4 mm -62.3 -41.95 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.566 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.4 m -60.87 -42.04 97.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.845 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.2 mtp85 -62.32 -39.38 92.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.379 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 t -57.77 -44.37 86.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.547 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.22 -42.03 98.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.412 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.0 -40.06 95.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.599 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.7 mt -62.6 -43.43 98.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.436 ' O ' ' OG ' ' A' ' 18' ' ' SER . 87.9 mt -63.65 -42.96 98.06 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.382 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -66.74 -40.82 88.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.43 0.633 . . . . 0.0 110.659 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -70.16 -11.06 60.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.286 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 15' ' ' LEU . 55.1 p -59.39 -20.19 52.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.529 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.2 p -79.79 -14.04 58.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.624 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.494 ' C ' ' H ' ' B' ' 2' ' ' ASN . 48.9 m . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.578 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 CA--C 1.517 -0.314 0 CA-C-O 120.933 0.397 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.494 ' H ' ' C ' ' A' ' 20' ' ' SER . 15.6 p-10 -60.06 150.42 70.38 Favored Pre-proline 0 C--N 1.323 -0.581 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.343 -178.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -57.24 -28.79 81.21 Favored 'Trans proline' 0 N--CA 1.504 2.141 0 C-N-CA 122.544 2.163 . . . . 0.0 112.448 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.31 -12.98 24.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.398 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.09 -34.43 70.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.045 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.84 -39.54 92.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.937 0.398 . . . . 0.0 110.403 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -64.59 -36.23 83.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.016 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 45.0 mm -62.46 -41.82 93.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.61 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -60.66 -41.98 96.09 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -62.32 -39.83 94.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -57.22 -44.59 83.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.06 -42.12 98.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.458 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.98 -40.05 95.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.701 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 24.5 mt -62.53 -43.41 98.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.636 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' B' ' 18' ' ' SER . 90.7 mt -63.83 -42.81 97.54 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.214 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -66.76 -40.92 88.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.445 0.641 . . . . 0.0 110.64 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.17 -11.3 60.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.286 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 15' ' ' LEU . 56.3 p -59.58 -19.85 51.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.452 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p -79.89 -14.7 58.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.135 0.493 . . . . 0.0 110.594 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.514 ' C ' ' H ' ' C' ' 2' ' ' ASN . 48.7 m . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.745 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.516 -0.331 0 CA-C-O 121.102 0.477 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.514 ' H ' ' C ' ' B' ' 20' ' ' SER . 15.7 p-10 -59.82 150.68 67.15 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.345 -178.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -57.24 -28.47 79.72 Favored 'Trans proline' 0 N--CA 1.504 2.127 0 C-N-CA 122.529 2.152 . . . . 0.0 112.346 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.5 -13.19 27.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.533 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.95 -34.02 69.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.124 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.09 -39.68 93.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.973 0.416 . . . . 0.0 110.4 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.56 -36.12 83.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.057 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 43.8 mm -62.35 -42.03 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.657 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 93.4 m -60.63 -42.15 96.33 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -62.25 -39.61 93.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.63 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -57.57 -44.21 85.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.554 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.13 -42.2 99.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.443 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.05 -40.13 95.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.712 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 25.3 mt -62.62 -43.36 99.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.589 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.426 ' O ' ' OG ' ' C' ' 18' ' ' SER . 90.1 mt -63.84 -42.84 97.5 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.361 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.68 -40.78 88.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.407 0.622 . . . . 0.0 110.667 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -70.36 -11.46 60.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.271 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' C' ' 15' ' ' LEU . 54.4 p -59.68 -19.8 52.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.396 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -79.79 -14.46 58.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.682 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.511 ' C ' ' H ' ' A' ' 2' ' ' ASN . 56.9 m . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.573 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.464 0.258 0 CA-C-O 121.101 0.477 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.457 ' OD1' ' OG ' ' C' ' 20' ' ' SER . 0.4 OUTLIER -64.03 156.18 75.25 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.038 -179.775 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.49 -23.16 30.44 Favored 'Trans proline' 0 N--CA 1.503 2.034 0 C-N-CA 122.225 1.95 . . . . 0.0 111.908 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.67 -13.03 27.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.0 0.428 . . . . 0.0 110.404 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.31 -30.29 66.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.218 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.06 -40.28 95.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.879 0.371 . . . . 0.0 110.191 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' OE1' ' NH1' ' A' ' 10' ' ' ARG . 49.2 tp10 -64.87 -38.23 90.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.04 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.6 mm -61.96 -41.94 92.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.539 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.8 m -60.68 -42.28 96.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.03 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.426 ' NH1' ' OE1' ' A' ' 7' ' ' GLU . 59.8 ttp180 -61.78 -42.29 98.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.976 0.417 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.1 t -60.85 -37.75 83.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.202 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.57 -44.14 97.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.201 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.71 -40.16 94.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.252 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.12 -40.98 99.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.047 0.451 . . . . 0.0 110.313 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.9 mt -64.47 -40.69 96.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.168 0.508 . . . . 0.0 110.439 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.74 -29.59 69.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.806 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.456 ' O ' ' OG ' ' A' ' 20' ' ' SER . 98.0 m-20 -63.86 -8.28 10.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.221 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.7 m -56.49 -32.35 64.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.41 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.6 p -80.67 -9.94 59.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.775 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.462 ' OG ' ' OD1' ' B' ' 2' ' ' ASN . 25.3 p . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.622 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 120.989 0.423 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.462 ' OD1' ' OG ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -64.8 155.87 81.19 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.113 -179.753 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.15 -23.35 28.96 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.313 2.008 . . . . 0.0 111.953 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -62.64 -12.92 26.23 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.084 0.469 . . . . 0.0 110.52 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.4 -30.39 66.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.189 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.9 -40.17 94.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.943 0.401 . . . . 0.0 110.018 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.415 ' OE1' ' NH1' ' B' ' 10' ' ' ARG . 48.6 tp10 -64.89 -38.22 90.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.047 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.424 HG22 HD12 ' B' ' 8' ' ' ILE . 44.8 mm -62.08 -41.97 93.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.538 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.1 m -60.61 -42.2 96.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.244 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.415 ' NH1' ' OE1' ' B' ' 7' ' ' GLU . 59.9 ttp180 -61.86 -42.18 98.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.243 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 t -60.92 -37.5 82.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.325 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.81 -43.98 97.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.245 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.88 -40.06 94.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.258 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.18 -41.05 99.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.049 0.452 . . . . 0.0 110.283 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.41 -40.84 96.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.192 0.52 . . . . 0.0 110.261 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.48 -29.91 70.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.814 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . 0.457 ' O ' ' OG ' ' B' ' 20' ' ' SER . 97.8 m-20 -63.8 -8.21 10.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.252 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 68.3 m -56.32 -32.32 64.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.344 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 89.5 p -80.53 -10.41 59.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.831 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.47 ' OG ' ' OD1' ' C' ' 2' ' ' ASN . 27.8 p . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.526 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.465 0.283 0 CA-C-O 121.13 0.49 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.47 ' OD1' ' OG ' ' B' ' 20' ' ' SER . 0.4 OUTLIER -63.89 156.03 75.02 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.166 -179.802 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.13 -23.4 29.06 Favored 'Trans proline' 0 N--CA 1.501 1.966 0 C-N-CA 122.278 1.985 . . . . 0.0 111.949 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.49 -12.94 25.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.049 0.452 . . . . 0.0 110.503 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.45 66.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.193 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.9 -40.15 94.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.904 0.383 . . . . 0.0 110.031 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . 0.433 ' OE1' ' NH1' ' C' ' 10' ' ' ARG . 48.9 tp10 -64.99 -38.27 90.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.964 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 45.5 mm -62.11 -41.79 92.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.543 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 99.1 m -60.78 -42.16 96.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.127 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.433 ' NH1' ' OE1' ' C' ' 7' ' ' GLU . 59.8 ttp180 -61.85 -42.2 98.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 110.201 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 22.6 t -60.81 -37.89 83.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.277 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.67 -44.07 97.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.255 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.48 -40.24 93.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.282 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.26 -40.95 98.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.05 0.452 . . . . 0.0 110.17 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.49 -40.75 96.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.146 0.498 . . . . 0.0 110.364 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.32 -29.94 70.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.77 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . 0.442 ' O ' ' OG ' ' C' ' 20' ' ' SER . 97.7 m-20 -63.81 -8.32 10.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.311 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -56.42 -32.26 64.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.34 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 87.2 p -80.59 -10.32 59.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.812 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.457 ' OG ' ' OD1' ' A' ' 2' ' ' ASN . 24.7 p . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.699 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.4 mttp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.031 0.443 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.467 ' H ' ' C ' ' C' ' 20' ' ' SER . 31.0 p-10 -65.87 149.03 97.96 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.093 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -65.47 -19.62 60.96 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.277 1.985 . . . . 0.0 112.283 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.84 -17.85 63.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.631 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.67 -32.65 69.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.089 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.01 -37.23 84.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.323 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -62.48 -40.61 97.24 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.486 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.3 mp -62.36 -39.73 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.885 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.3 m -60.15 -42.27 94.52 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -62.2 -40.21 95.32 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.0 t -55.36 -43.09 74.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.102 0.477 . . . . 0.0 110.442 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.38 -38.98 88.98 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.654 -0.418 . . . . 0.0 109.958 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -60.48 -38.46 84.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.463 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.6 -44.75 96.42 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.446 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.435 ' O ' ' OG ' ' A' ' 18' ' ' SER . 9.3 mp -68.19 -37.21 80.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.04 0.448 . . . . 0.0 110.794 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.39 -37.87 84.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.599 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.59 -10.82 49.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.534 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 15' ' ' LEU . 83.7 p -60.53 -20.08 59.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.029 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.3 m -80.52 -15.09 57.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.578 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.459 ' C ' ' H ' ' B' ' 2' ' ' ASN . 19.9 m . . . . . 0 C--N 1.32 -0.696 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.599 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 121.013 0.435 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.459 ' H ' ' C ' ' A' ' 20' ' ' SER . 30.3 p-10 -65.85 149.2 97.77 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.191 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.63 -19.61 60.0 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.393 2.062 . . . . 0.0 112.126 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.95 -17.86 63.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.61 -32.8 69.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.135 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.92 -37.19 83.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.348 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -62.38 -40.69 97.28 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.485 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.3 mp -62.23 -39.9 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.866 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.5 m -60.19 -42.2 94.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.142 0.496 . . . . 0.0 109.721 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -62.29 -40.43 96.26 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 47.4 t -54.9 -43.27 73.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.098 0.475 . . . . 0.0 110.577 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.32 -38.97 88.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.956 0.408 . . . . 0.0 109.906 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -60.36 -38.61 84.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.469 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.68 -44.74 96.36 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.506 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.447 ' N ' ' CD1' ' B' ' 15' ' ' LEU . 9.1 mp -68.12 -37.4 81.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.116 0.484 . . . . 0.0 110.881 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.41 -37.8 84.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.678 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.44 -10.68 46.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.573 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' B' ' 15' ' ' LEU . 83.8 p -60.67 -19.89 59.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.8 m -80.43 -15.01 57.8 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.591 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.46 ' C ' ' H ' ' C' ' 2' ' ' ASN . 19.3 m . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.447 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.89 0.376 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.46 ' H ' ' C ' ' B' ' 20' ' ' SER . 30.0 p-10 -65.7 149.24 97.6 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.09 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.64 -19.61 59.95 Favored 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.345 2.03 . . . . 0.0 112.083 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.96 -17.7 63.53 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.018 0.437 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.47 -32.81 69.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.066 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.94 -37.24 83.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.404 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -62.52 -40.7 97.59 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.3 mp -62.27 -39.92 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.908 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.6 m -59.95 -42.5 94.17 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -61.98 -40.59 96.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 49.0 t -54.9 -43.32 73.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.069 0.461 . . . . 0.0 110.482 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.2 -38.99 88.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.006 0.431 . . . . 0.0 110.016 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -60.39 -38.61 84.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.63 -44.73 96.43 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.495 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.436 ' O ' ' OG ' ' C' ' 18' ' ' SER . 9.3 mp -68.15 -37.32 80.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.042 0.449 . . . . 0.0 110.862 178.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.3 -37.91 84.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.701 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.69 -10.55 47.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.583 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' C' ' 15' ' ' LEU . 84.1 p -60.55 -20.19 59.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.016 0.436 . . . . 0.0 110.889 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 73.5 m -80.52 -14.6 58.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.634 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.467 ' C ' ' H ' ' A' ' 2' ' ' ASN . 21.7 m . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.581 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.0 mttp . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.105 0.478 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -65.8 154.48 88.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.082 -178.752 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.42 -26.06 60.92 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.394 2.062 . . . . 0.0 112.015 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.09 -16.14 50.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.303 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.63 -28.98 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.253 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.24 -38.44 89.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.152 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.68 -39.73 94.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.191 0.519 . . . . 0.0 109.808 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -62.26 -41.71 92.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.895 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -59.31 -41.64 89.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.853 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.37 -41.86 97.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.981 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.31 -36.66 84.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.141 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -59.11 -44.64 91.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.064 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.85 -40.12 96.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.235 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.07 -41.31 99.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' A' ' 18' ' ' SER . 88.0 mt -63.84 -40.88 97.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.626 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.69 -37.68 87.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.386 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.08 -10.28 29.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.36 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 15' ' ' LEU . 98.5 p -58.21 -32.04 67.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.573 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.8 m -84.52 -14.36 49.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.737 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.627 179.551 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.977 0.418 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.506 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 0.1 OUTLIER -65.3 154.5 87.3 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.005 -178.824 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.31 -25.93 59.22 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.393 2.062 . . . . 0.0 112.123 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.0 -16.26 50.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.268 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.52 -28.99 65.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.15 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.28 -38.26 88.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.915 0.388 . . . . 0.0 110.185 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -62.83 -39.63 94.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.17 0.509 . . . . 0.0 109.851 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.483 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -62.53 -41.69 92.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.948 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 98.4 m -59.46 -41.57 90.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.983 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -61.42 -41.66 97.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.963 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.93 -36.19 83.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.425 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -59.3 -44.29 92.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.991 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.05 -40.15 96.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.177 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.02 -41.26 99.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.414 ' O ' ' OG ' ' B' ' 18' ' ' SER . 87.3 mt -63.87 -40.8 97.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.515 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.66 -37.74 87.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.378 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.08 -10.29 29.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.354 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' B' ' 15' ' ' LEU . 100.0 p -58.17 -31.91 67.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 -179.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.3 m -84.58 -13.93 50.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.83 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.882 179.588 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 C--O 1.234 0.249 0 CA-C-O 121.009 0.433 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' C' ' 2' ' ' ASN . 0.1 OUTLIER -64.96 154.31 86.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.079 -178.701 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.43 -25.7 59.11 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 122.395 2.063 . . . . 0.0 111.993 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.33 -16.2 52.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.32 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.51 -28.89 65.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.18 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.21 -38.4 89.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.178 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -62.69 -39.8 95.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.139 0.495 . . . . 0.0 109.763 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . 0.488 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.5 mp -62.38 -41.67 92.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.002 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -59.43 -41.53 89.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.95 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.45 -41.82 97.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.99 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.41 -36.49 84.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.223 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -59.16 -44.47 92.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.04 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.05 -40.25 97.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.322 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 78.6 mt -63.0 -41.06 99.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.512 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.442 ' O ' ' OG ' ' C' ' 18' ' ' SER . 87.1 mt -63.91 -40.98 97.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.524 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.57 -37.85 87.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.425 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.9 -10.72 30.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.406 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' C' ' 15' ' ' LEU . 96.5 p -58.0 -32.06 67.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.55 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 70.7 m -84.12 -14.02 51.42 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.719 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.951 179.614 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt . . . . . 0 N--CA 1.464 0.241 0 CA-C-O 120.951 0.405 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.559 ' H ' ' HG ' ' C' ' 20' ' ' SER . 0.4 OUTLIER -60.93 154.92 56.91 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.083 -179.283 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.13 -24.57 41.54 Favored 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 122.59 2.193 . . . . 0.0 111.907 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.23 -11.59 15.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.345 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.69 -28.58 63.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.09 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.13 -40.92 97.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.392 . . . . 0.0 110.429 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.4 -36.47 84.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.479 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.405 HD13 HG23 ' A' ' 8' ' ' ILE . 34.3 mm -62.57 -42.69 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.828 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.6 m -60.98 -41.92 97.34 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.948 -0.389 . . . . 0.0 109.948 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -62.08 -41.99 98.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.136 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 t -56.97 -40.91 77.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.032 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.12 -42.97 99.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.212 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.28 -40.98 96.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.576 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.03 -43.08 99.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.916 0.389 . . . . 0.0 110.353 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.89 -39.53 93.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.135 0.493 . . . . 0.0 110.718 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.25 -35.14 78.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.524 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.18 -9.18 15.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.162 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.7 p -58.44 -26.06 62.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.8 0.333 . . . . 0.0 110.69 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.0 p -86.03 -15.67 40.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.978 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.617 ' HG ' ' H ' ' B' ' 2' ' ' ASN . 17.1 t . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.627 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt . . . . . 0 C--O 1.234 0.254 0 CA-C-O 120.917 0.389 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.617 ' H ' ' HG ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -60.52 154.4 55.45 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.033 -179.265 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.77 -24.3 37.4 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 122.573 2.182 . . . . 0.0 112.031 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.09 -11.7 15.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.473 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.7 -28.57 63.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.09 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.06 -40.94 97.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.396 . . . . 0.0 110.376 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.46 -36.56 84.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.094 0.473 . . . . 0.0 110.538 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 33.3 mm -62.43 -42.46 95.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.732 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.4 m -61.16 -41.91 97.61 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -62.02 -42.19 98.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 t -56.45 -41.14 75.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.235 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -62.21 -42.51 99.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.141 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.7 -40.72 96.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.685 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.61 -42.95 98.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.348 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.94 -39.45 93.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.181 0.515 . . . . 0.0 110.599 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.38 -35.4 79.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.485 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.84 -9.87 17.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.271 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 87.7 p -58.27 -26.46 62.99 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.732 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 92.1 p -85.34 -16.09 41.11 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.627 ' HG ' ' H ' ' C' ' 2' ' ' ASN . 17.1 t . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.714 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.905 0.383 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.627 ' H ' ' HG ' ' B' ' 20' ' ' SER . 0.4 OUTLIER -60.82 154.4 58.7 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.065 -179.191 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.68 -24.28 36.63 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 122.532 2.154 . . . . 0.0 111.986 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.07 -11.4 13.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.332 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.88 -29.05 64.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.2 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.89 -40.63 96.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.957 0.408 . . . . 0.0 110.387 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -65.66 -36.73 84.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.086 0.47 . . . . 0.0 110.728 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . 0.423 HD13 HG23 ' C' ' 8' ' ' ILE . 33.6 mm -62.35 -42.32 95.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 92.8 m -61.15 -41.84 97.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.013 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -62.25 -41.78 98.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.988 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 t -56.75 -40.9 76.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 0.0 110.273 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.19 -42.77 99.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.197 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.52 -40.61 95.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.555 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.56 -42.69 98.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.39 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.42 -39.65 92.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.174 0.512 . . . . 0.0 110.6 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.19 -35.33 78.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.493 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.95 -9.62 16.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.097 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 88.2 p -58.33 -27.04 63.77 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.574 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 89.2 p -85.06 -15.49 43.84 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.948 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.559 ' HG ' ' H ' ' A' ' 2' ' ' ASN . 18.1 t . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.817 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.985 0.421 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.512 ' ND2' ' OG ' ' C' ' 20' ' ' SER . 86.3 m-20 -61.85 148.82 86.97 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.898 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.89 -19.19 58.52 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.581 2.187 . . . . 0.0 111.829 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.06 -12.48 51.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.414 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.42 -28.05 51.78 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.171 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.61 -39.09 92.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.084 0.468 . . . . 0.0 110.143 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -65.97 -38.63 89.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.193 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.94 -42.2 91.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.912 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.5 m -59.88 -43.2 94.89 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -62.75 -38.74 91.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.204 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -54.89 -46.41 74.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.392 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.1 -41.46 98.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.391 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -64.4 -40.83 96.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.399 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.16 -42.21 99.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.754 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.72 -39.89 94.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.671 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.47 -36.53 82.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.504 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.445 ' O ' ' OG ' ' A' ' 20' ' ' SER . 97.5 m-20 -64.11 -9.28 15.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.369 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.5 p -57.54 -32.07 66.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.697 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -90.25 -12.3 38.34 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.977 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.536 ' OG ' ' ND2' ' B' ' 2' ' ' ASN . 85.2 p . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.838 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.983 0.421 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.536 ' ND2' ' OG ' ' A' ' 20' ' ' SER . 85.3 m-20 -61.96 149.13 86.74 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.926 -178.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.06 -19.37 57.47 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 122.546 2.164 . . . . 0.0 111.787 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.85 -12.45 48.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.386 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.39 -28.24 52.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.057 -178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.56 -38.92 91.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.065 0.459 . . . . 0.0 110.084 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -66.01 -38.57 88.79 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.243 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.16 -42.37 93.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.09 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.9 m -59.81 -42.84 94.36 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.6 mtp85 -62.87 -38.72 91.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.067 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 t -54.96 -46.45 75.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.562 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.1 -41.7 98.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.322 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -64.17 -40.94 97.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.363 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.14 -42.39 99.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.746 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.54 -39.81 94.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.205 0.526 . . . . 0.0 110.559 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.37 -36.75 83.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.442 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . 0.441 ' O ' ' OG ' ' B' ' 20' ' ' SER . 97.7 m-20 -63.98 -9.27 14.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.419 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 99.9 p -57.43 -31.91 66.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.698 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.0 m -90.11 -13.01 36.65 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.093 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.539 ' OG ' ' ND2' ' C' ' 2' ' ' ASN . 84.2 p . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.815 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.982 0.42 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.539 ' ND2' ' OG ' ' B' ' 20' ' ' SER . 86.9 m-20 -61.8 148.5 87.38 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.917 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.54 -19.5 60.53 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.539 2.159 . . . . 0.0 111.872 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.96 -12.25 47.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.517 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.58 -28.33 54.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.159 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.33 -38.74 90.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.108 0.48 . . . . 0.0 110.09 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -66.22 -38.78 88.78 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.189 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.89 -42.02 91.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.873 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -60.13 -42.98 95.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.242 0.544 . . . . 0.0 109.702 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 60.7 mtp85 -62.92 -38.75 92.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.121 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 t -54.99 -46.51 75.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.521 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.82 -41.35 97.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.334 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -64.59 -40.62 95.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.327 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.27 -42.28 99.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.83 -39.9 94.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.667 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.55 -36.37 82.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.447 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . 0.438 ' O ' ' OG ' ' C' ' 20' ' ' SER . 97.2 m-20 -64.08 -9.26 15.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.363 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 97.3 p -57.44 -32.15 66.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.926 0.394 . . . . 0.0 110.611 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -89.79 -12.97 37.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.981 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.512 ' OG ' ' ND2' ' A' ' 2' ' ' ASN . 82.8 p . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.049 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 C--O 1.236 0.343 0 CA-C-O 121.058 0.456 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.479 HD21 ' HB2' ' A' ' 4' ' ' GLU . 31.6 t30 -62.21 137.28 95.81 Favored Pre-proline 0 CA--C 1.544 0.749 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.435 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.43 -23.71 40.02 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.612 2.208 . . . . 0.0 112.122 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.479 ' HB2' HD21 ' A' ' 2' ' ' ASN . 98.5 mt-10 -62.27 -15.09 45.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.58 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.47 -26.72 63.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.293 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.32 -37.77 84.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.3 -38.92 91.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.413 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.492 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.7 mp -62.57 -41.03 90.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.865 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.1 m -59.61 -41.52 90.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.822 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.9 mtp85 -62.5 -40.07 95.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.444 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.0 m -59.43 -41.94 90.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.376 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.85 -45.92 90.92 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.104 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.97 -39.75 94.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.39 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.9 mt -62.22 -41.76 98.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.804 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.411 ' O ' ' OG ' ' A' ' 18' ' ' SER . 90.7 mt -63.59 -40.83 97.94 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.05 0.452 . . . . 0.0 110.485 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.17 -37.58 87.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.582 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.97 -10.33 28.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.413 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 15' ' ' LEU . 98.2 p -58.15 -31.88 67.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.767 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -83.77 -17.64 40.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.147 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.42 ' C ' ' H ' ' B' ' 2' ' ' ASN . 5.9 t . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.756 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.0 0.429 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.454 HD21 ' HB2' ' B' ' 4' ' ' GLU . 32.3 t30 -61.9 137.66 95.41 Favored Pre-proline 0 CA--C 1.543 0.701 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.397 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.48 -23.85 41.14 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 122.584 2.189 . . . . 0.0 112.161 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.454 ' HB2' HD21 ' B' ' 2' ' ' ASN . 98.9 mt-10 -62.02 -15.14 42.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.552 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.7 -26.69 64.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.163 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.16 -37.63 83.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.459 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.7 -39.36 93.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.67 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.471 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.7 mp -62.21 -40.66 88.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.109 0.48 . . . . 0.0 109.813 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 97.4 m -59.83 -41.65 91.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.816 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -62.25 -39.93 94.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.447 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 m -59.43 -42.22 91.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.51 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.62 -45.82 90.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.154 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.19 -39.88 94.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.457 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 25.0 mt -62.04 -41.92 98.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.814 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.49 -40.7 97.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.08 0.467 . . . . 0.0 110.37 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -63.08 -37.69 88.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.489 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.1 -10.38 30.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.567 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 90.9 p -58.25 -32.02 67.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.782 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -82.9 -18.4 40.32 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.15 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.469 ' C ' ' H ' ' C' ' 2' ' ' ASN . 5.5 t . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.498 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp . . . . . 0 CA--C 1.516 -0.358 0 CA-C-O 120.964 0.411 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.483 HD21 ' HB2' ' C' ' 4' ' ' GLU . 33.1 t30 -62.25 137.21 95.85 Favored Pre-proline 0 N--CA 1.445 -0.72 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.565 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.72 -23.86 43.23 Favored 'Trans proline' 0 N--CA 1.5 1.879 0 C-N-CA 122.565 2.176 . . . . 0.0 112.167 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . 0.483 ' HB2' HD21 ' C' ' 2' ' ' ASN . 98.8 mt-10 -61.99 -14.97 40.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.475 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.84 -26.78 64.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.276 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.17 -37.51 83.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.47 -39.41 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 0.0 110.493 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . 0.462 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.7 mp -62.04 -41.05 89.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.134 0.493 . . . . 0.0 109.936 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 96.2 m -59.74 -41.5 91.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.769 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -62.35 -39.82 94.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.386 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 23.1 m -59.68 -42.5 93.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.461 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.5 -45.63 91.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.077 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.1 -39.81 94.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.449 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.05 -42.26 99.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.801 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.34 -40.85 98.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.097 0.475 . . . . 0.0 110.475 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.03 -37.71 88.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.612 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.96 -10.24 27.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.425 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 95.5 p -58.01 -31.99 67.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 72.7 m -83.16 -18.07 40.7 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.171 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.462 ' C ' ' H ' ' A' ' 2' ' ' ASN . 6.4 t . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.814 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.459 ' H ' ' C ' ' C' ' 20' ' ' SER . 35.5 p-10 -60.87 146.87 86.27 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.603 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.43 -24.1 50.01 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.676 2.251 . . . . 0.0 112.45 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.459 ' OE2' ' N ' ' A' ' 4' ' ' GLU . 57.9 mp0 -64.12 -12.92 44.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.579 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.29 -31.75 67.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.304 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.72 -40.31 94.62 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.074 0.464 . . . . 0.0 110.608 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -64.76 -35.71 81.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.17 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.5 mm -61.19 -39.52 82.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.769 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.9 m -59.76 -41.39 90.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.801 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -61.86 -39.6 92.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.403 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.0 t -55.25 -45.02 76.08 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.57 -41.34 98.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.294 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -62.83 -39.96 95.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.355 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.6 mt -62.21 -42.33 99.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.528 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 98.0 mt -65.03 -40.29 94.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.483 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.53 -36.78 83.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.352 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.47 -9.33 17.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.367 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.6 t -56.66 -33.07 66.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.456 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.1 p -78.69 -13.44 59.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.439 ' C ' ' H ' ' B' ' 2' ' ' ASN . 20.6 m . . . . . 0 C--N 1.32 -0.703 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.623 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.909 0.385 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.439 ' H ' ' C ' ' A' ' 20' ' ' SER . 35.7 p-10 -60.83 146.77 86.21 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.651 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.26 -23.81 51.61 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.665 2.243 . . . . 0.0 112.389 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.482 ' OE2' ' N ' ' B' ' 4' ' ' GLU . 57.8 mp0 -64.25 -12.91 45.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.597 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.4 -31.88 68.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.3 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.61 -40.05 93.44 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.104 0.478 . . . . 0.0 110.605 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -64.97 -35.98 82.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.081 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 48.6 mm -61.09 -39.0 80.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.683 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.5 m -60.17 -41.54 93.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.823 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -61.95 -39.09 90.91 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.342 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 22.2 t -56.09 -44.46 79.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.382 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.06 -40.75 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.24 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.18 -40.13 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.199 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 17.3 mt -62.15 -42.59 99.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.457 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.79 -40.23 94.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.405 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.75 -37.5 86.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.437 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.14 -9.18 15.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.163 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.6 t -56.56 -33.04 65.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.473 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.1 p -78.45 -13.96 59.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.438 ' C ' ' H ' ' C' ' 2' ' ' ASN . 20.3 m . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.597 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.233 0.237 0 CA-C-O 120.844 0.354 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.438 ' H ' ' C ' ' B' ' 20' ' ' SER . 35.9 p-10 -60.89 146.91 86.31 Favored Pre-proline 0 N--CA 1.451 -0.382 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.695 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.48 -23.48 50.4 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.666 2.244 . . . . 0.0 112.382 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . 0.458 ' OE2' ' N ' ' C' ' 4' ' ' GLU . 57.2 mp0 -64.95 -12.85 54.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.621 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.48 -31.82 68.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.173 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.57 -40.26 94.09 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.09 0.472 . . . . 0.0 110.52 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -64.88 -36.0 82.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.193 0.521 . . . . 0.0 110.207 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 49.3 mm -61.07 -38.91 80.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.886 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 85.3 m -60.21 -41.39 92.9 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -61.79 -39.7 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.316 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 23.7 t -55.25 -44.74 75.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.919 0.39 . . . . 0.0 110.343 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.7 -40.83 98.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.238 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.06 -40.4 97.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.208 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.6 mt -62.06 -42.57 99.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.537 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.67 -40.28 95.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.472 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.7 -37.32 86.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.455 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.8 -9.05 12.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.244 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 35.2 t -56.94 -32.8 66.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.601 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 87.2 p -78.41 -13.91 59.63 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.459 ' C ' ' H ' ' A' ' 2' ' ' ASN . 20.4 m . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.549 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.762 0.315 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -63.79 151.58 88.63 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.558 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.24 -20.33 69.71 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 C-N-CA 122.921 2.414 . . . . 0.0 111.984 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -65.08 -12.24 48.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.275 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.16 -25.08 61.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.209 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.39 -37.61 81.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.399 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -64.08 -37.41 87.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.572 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.503 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.6 mp -61.59 -44.74 99.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.943 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.2 m -61.18 -41.69 97.24 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -62.65 -40.06 95.84 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 t -54.61 -48.14 72.56 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.285 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.57 -43.48 98.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.318 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -62.28 -42.09 99.05 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.419 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.1 mt -62.78 -41.21 99.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.216 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.52 -39.51 91.9 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.113 0.483 . . . . 0.0 110.591 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.06 -36.21 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.382 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.88 -9.0 12.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.506 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.2 t -56.08 -33.51 65.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.541 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.4 p -78.91 -10.27 59.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.711 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.647 179.466 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.797 0.332 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 37.9 p-10 -63.5 152.19 86.14 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.588 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.44 -19.9 68.84 Favored 'Trans proline' 0 C--N 1.304 -1.813 0 C-N-CA 122.849 2.366 . . . . 0.0 111.997 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.05 -13.06 57.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.33 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.72 -25.02 59.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.177 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.45 -37.96 82.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.279 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -63.78 -37.82 88.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.538 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.491 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.6 mp -61.42 -44.53 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.916 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 92.1 m -61.4 -41.74 97.62 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -62.43 -39.79 94.47 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 7.2 t -54.99 -48.2 73.62 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.292 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.49 -43.57 98.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.266 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -62.24 -42.02 98.94 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.403 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.62 -41.51 99.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.348 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.29 -39.62 92.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.134 0.492 . . . . 0.0 110.571 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.1 -36.12 80.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.79 -8.97 12.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.402 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 39.6 t -56.28 -33.87 65.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.543 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 91.6 p -78.58 -10.55 59.77 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.735 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.652 179.401 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.889 0.376 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -63.61 151.78 87.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.575 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.22 -19.81 67.99 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.862 2.375 . . . . 0.0 112.016 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.38 -12.56 53.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.155 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.94 -25.23 60.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.222 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.42 -37.26 80.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.462 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -64.49 -37.98 89.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.634 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . 0.501 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.5 mp -61.37 -44.39 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 81.2 m -61.2 -42.01 97.83 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -62.61 -39.55 94.14 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 7.6 t -54.88 -48.09 73.44 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.842 0.353 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.75 -43.37 98.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.188 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.44 -42.15 99.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.276 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 mt -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.445 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.19 -39.3 92.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.621 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.98 -36.95 82.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.467 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.12 -8.76 8.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.403 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 42.1 t -56.16 -33.82 65.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.559 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 92.0 p -78.84 -11.18 59.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.714 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.64 179.512 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 120.997 0.427 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 10.7 p-10 -60.14 150.82 69.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.068 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.439 ' O ' ' OE1' ' A' ' 6' ' ' GLU . 36.9 Cg_endo -64.44 -19.1 65.0 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.531 2.154 . . . . 0.0 111.931 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.57 -11.96 40.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.503 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.52 -31.92 66.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.125 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' A' ' 3' ' ' PRO . 1.9 mp0 -61.73 -39.63 92.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 110.107 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -64.47 -38.78 92.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.007 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 37.4 mm -62.63 -42.2 95.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.2 m -60.73 -42.8 98.02 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -63.91 -38.6 91.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.194 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 t -53.89 -48.37 70.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.116 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.0 -42.1 97.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.14 0.495 . . . . 0.0 110.735 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.43 -38.75 92.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.709 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.03 -41.75 98.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.597 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.448 ' O ' ' OG ' ' A' ' 18' ' ' SER . 90.6 mt -64.81 -39.14 93.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.989 0.423 . . . . 0.0 110.5 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.92 -37.26 84.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.673 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.52 -10.72 27.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.43 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 15' ' ' LEU . 93.6 p -59.73 -21.81 61.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.937 0.398 . . . . 0.0 110.907 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m -81.17 -17.12 50.84 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.445 ' C ' ' H ' ' B' ' 2' ' ' ASN . 50.4 m . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.79 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.98 0.419 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.482 ' N ' ' OD1' ' B' ' 2' ' ' ASN . 10.3 p-10 -60.07 150.9 68.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.083 -178.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.417 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 37.0 Cg_endo -64.31 -18.89 64.8 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.555 2.17 . . . . 0.0 111.935 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.92 -12.2 46.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.553 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.63 -31.79 66.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.042 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.417 ' OE1' ' O ' ' B' ' 3' ' ' PRO . 1.7 mp0 -61.71 -39.77 92.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.885 0.374 . . . . 0.0 110.093 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -64.48 -38.81 92.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.989 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 37.7 mm -62.7 -42.03 94.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 78.3 m -60.54 -42.99 97.63 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -63.4 -38.78 92.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.451 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 18.8 t -54.16 -48.4 70.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.352 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -63.87 -41.99 97.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.112 0.482 . . . . 0.0 110.584 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -64.41 -39.03 93.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.78 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 25.9 mt -61.88 -41.9 98.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.595 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.438 ' O ' ' OG ' ' B' ' 18' ' ' SER . 90.9 mt -64.68 -39.2 93.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.054 0.454 . . . . 0.0 110.379 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.02 -36.79 82.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.618 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.98 -10.66 31.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.585 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' B' ' 15' ' ' LEU . 92.1 p -59.63 -22.04 61.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.903 0.382 . . . . 0.0 110.998 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 66.2 m -81.0 -17.22 51.1 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.803 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.449 ' C ' ' H ' ' C' ' 2' ' ' ASN . 40.3 m . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.688 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.955 0.407 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' C' ' 2' ' ' ASN . 11.0 p-10 -60.1 150.91 68.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.142 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' PRO . . . . . 0.428 ' O ' ' OE1' ' C' ' 6' ' ' GLU . 36.6 Cg_endo -64.32 -19.12 65.29 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.51 2.14 . . . . 0.0 112.009 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.64 -11.94 40.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.562 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.62 -32.13 66.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.121 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' C' ' 3' ' ' PRO . 1.7 mp0 -61.71 -39.48 91.64 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.114 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -64.67 -38.88 92.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.074 0.464 . . . . 0.0 110.077 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 37.3 mm -62.55 -42.04 94.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 80.4 m -60.68 -42.81 97.85 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -63.71 -38.62 91.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.245 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 17.3 t -53.99 -48.27 70.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.204 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -64.18 -42.01 96.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.977 0.418 . . . . 0.0 110.774 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.6 -38.77 92.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.83 -41.95 98.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.648 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.45 ' O ' ' OG ' ' C' ' 18' ' ' SER . 89.5 mt -64.87 -39.16 93.1 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.057 0.456 . . . . 0.0 110.442 179.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.98 -36.91 82.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.632 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.66 -10.84 29.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.476 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' C' ' 15' ' ' LEU . 93.0 p -59.77 -21.58 60.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.953 0.406 . . . . 0.0 110.925 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 72.5 m -80.95 -17.52 50.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.464 ' C ' ' H ' ' A' ' 2' ' ' ASN . 39.8 m . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.847 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 N--CA 1.466 0.348 0 CA-C-O 121.171 0.51 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.412 ' OD1' ' OG ' ' C' ' 20' ' ' SER . 0.4 OUTLIER -62.9 155.03 73.85 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.139 -179.493 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.19 -23.97 39.22 Favored 'Trans proline' 0 N--CA 1.501 1.933 0 C-N-CA 122.482 2.121 . . . . 0.0 111.968 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.55 -13.25 28.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.414 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.34 -29.16 65.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.33 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.93 -40.79 96.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.126 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.71 -38.36 88.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.89 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.7 mm -62.64 -42.02 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.819 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.5 m -60.66 -42.65 97.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.176 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -62.43 -41.21 98.55 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.7 t -60.03 -41.2 91.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.392 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.96 -41.65 96.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.069 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -62.43 -39.82 94.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.259 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.37 -41.23 98.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.036 0.446 . . . . 0.0 110.232 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.54 -39.87 94.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.192 0.52 . . . . 0.0 110.406 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.58 -33.06 74.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -62.4 -8.07 5.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.193 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.0 t -56.3 -34.01 66.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 64.2 m -81.16 -10.79 59.58 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.417 ' OG ' ' OD1' ' B' ' 2' ' ' ASN . 18.9 t . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.747 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 121.192 0.52 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.417 ' OD1' ' OG ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -62.65 155.06 71.51 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.124 -179.712 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.02 -24.22 38.9 Favored 'Trans proline' 0 N--CA 1.5 1.903 0 C-N-CA 122.29 1.993 . . . . 0.0 112.052 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.61 -13.35 30.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.375 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.23 -29.3 65.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.289 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.0 -41.0 97.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 0.0 110.262 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -65.58 -38.35 89.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.062 0.458 . . . . 0.0 109.903 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 38.1 mm -62.62 -42.06 94.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.928 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 87.4 m -60.41 -42.56 96.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.075 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -62.15 -41.65 98.49 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 37.0 t -59.87 -41.13 90.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.592 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.04 -41.74 97.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.136 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -62.3 -39.82 94.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.208 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.24 -41.52 99.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.07 0.462 . . . . 0.0 110.192 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.53 -39.48 93.83 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.147 0.498 . . . . 0.0 110.409 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.62 -33.25 74.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.776 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.55 -8.12 5.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.187 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.6 t -56.13 -33.49 65.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.955 0.407 . . . . 0.0 110.399 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.0 m -81.04 -12.26 59.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.787 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.523 179.448 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 62.8 mttp . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 121.086 0.47 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.67 154.87 72.57 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.221 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.0 -23.85 37.01 Favored 'Trans proline' 0 N--CA 1.501 1.925 0 C-N-CA 122.327 2.018 . . . . 0.0 112.059 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -62.74 -13.29 31.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.455 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.35 -29.3 65.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.345 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.83 -40.91 96.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.992 0.425 . . . . 0.0 110.267 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -65.46 -38.31 89.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.028 0.442 . . . . 0.0 109.846 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 37.2 mm -62.59 -42.05 94.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.861 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 82.0 m -60.6 -42.61 97.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.16 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 64.7 ttp85 -62.31 -41.65 98.7 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 34.9 t -59.83 -40.91 90.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.477 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -61.24 -41.38 96.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.123 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -62.59 -39.88 95.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.235 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.35 -41.32 98.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.08 0.467 . . . . 0.0 110.261 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.63 -39.79 94.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.258 0.552 . . . . 0.0 110.55 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.58 -33.29 74.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.68 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.46 -7.96 5.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.144 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 38.5 t -56.25 -33.84 65.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.535 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 67.8 m -80.71 -12.13 59.52 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.819 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.412 ' OG ' ' OD1' ' A' ' 2' ' ' ASN . 20.6 t . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.535 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.017 0.437 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.1 p-10 -61.18 149.96 80.76 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.546 -178.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -63.19 -24.23 72.68 Favored 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 122.701 2.267 . . . . 0.0 112.376 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 4' ' ' GLU . 56.2 mp0 -64.11 -13.06 45.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.652 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.14 -25.42 61.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.223 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -60.42 -35.89 76.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.018 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.448 ' CD ' HH11 ' A' ' 10' ' ' ARG . 48.8 tp10 -62.23 -39.96 94.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.992 0.425 . . . . 0.0 110.455 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.501 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -61.36 -42.41 93.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 86.7 m -60.56 -42.8 97.33 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.448 HH11 ' CD ' ' A' ' 7' ' ' GLU . 59.7 ttp180 -63.24 -41.27 99.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.095 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.4 t -55.07 -43.67 74.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.1 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.81 -40.12 96.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.248 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.63 -41.6 97.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.197 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.4 mt -62.74 -41.71 99.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.005 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.95 -39.71 94.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.508 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.24 -36.66 82.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.459 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.408 ' O ' ' OG ' ' A' ' 20' ' ' SER . 98.4 m-20 -64.67 -10.68 28.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.474 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -59.11 -24.43 62.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.94 0.4 . . . . 0.0 110.626 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.6 t -83.98 -18.32 37.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.986 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.429 ' C ' ' H ' ' B' ' 2' ' ' ASN . 61.1 p . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.805 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.949 0.404 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.429 ' H ' ' C ' ' A' ' 20' ' ' SER . 44.3 p-10 -61.24 149.99 80.96 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.615 -178.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -63.66 -23.04 70.05 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.461 ' OE2' ' N ' ' B' ' 4' ' ' GLU . 54.9 mp0 -65.14 -12.79 54.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.681 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.36 -25.44 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.137 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -60.44 -35.73 76.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.096 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.448 ' CD ' HH11 ' B' ' 10' ' ' ARG . 49.3 tp10 -62.45 -39.51 93.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.921 0.391 . . . . 0.0 110.398 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.489 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -61.7 -42.75 95.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 88.0 m -60.55 -42.74 97.18 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.448 HH11 ' CD ' ' B' ' 7' ' ' GLU . 59.5 ttp180 -63.09 -41.71 99.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.167 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 13.2 t -54.99 -42.72 72.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.263 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.52 -39.89 95.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.117 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.51 -41.79 97.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.217 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 mt -62.74 -41.61 99.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.26 -39.64 94.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.452 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.5 -36.0 81.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.334 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . 0.437 ' O ' ' OG ' ' B' ' 20' ' ' SER . 99.1 m-20 -65.37 -10.46 33.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.608 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 95.9 p -59.11 -25.75 64.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.741 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.1 t -82.37 -18.63 41.38 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.01 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.444 ' C ' ' H ' ' C' ' 2' ' ' ASN . 76.7 p . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.707 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.914 0.388 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.444 ' H ' ' C ' ' B' ' 20' ' ' SER . 46.3 p-10 -61.46 149.77 82.65 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.671 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.54 -23.52 70.57 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' C' ' 4' ' ' GLU . 55.7 mp0 -64.5 -12.9 48.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.759 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.06 -25.09 60.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.189 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -60.67 -35.64 76.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.106 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . 0.469 ' OE2' ' NH1' ' C' ' 10' ' ' ARG . 49.4 tp10 -62.67 -39.7 94.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.003 0.43 . . . . 0.0 110.306 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . 0.498 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.5 mp -61.74 -42.54 94.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 93.5 m -60.68 -43.0 98.23 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.469 ' NH1' ' OE2' ' C' ' 7' ' ' GLU . 59.2 ttp180 -62.79 -41.45 99.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.051 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 t -54.94 -43.2 73.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.297 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.36 -39.83 95.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.088 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.58 -41.98 98.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.263 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.61 -41.5 99.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.3 -39.76 94.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.584 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.46 -36.18 81.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.32 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . 0.425 ' O ' ' OG ' ' C' ' 20' ' ' SER . 98.4 m-20 -64.84 -10.88 31.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.395 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 94.4 p -59.07 -24.88 63.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.995 0.426 . . . . 0.0 110.814 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 21.2 t -83.33 -18.23 39.65 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.036 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' C' ' 17' ' ' ASP . 71.1 p . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.5 mttp . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.966 0.412 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.459 ' H ' ' C ' ' C' ' 20' ' ' SER . 19.3 p-10 -61.24 149.99 80.94 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.859 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.529 ' O ' ' OE2' ' A' ' 6' ' ' GLU . 33.0 Cg_endo -64.43 -21.39 66.39 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 122.679 2.253 . . . . 0.0 111.847 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -65.13 -12.49 51.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.204 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.69 -36.99 75.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.178 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.529 ' OE2' ' O ' ' A' ' 3' ' ' PRO . 15.8 mp0 -61.52 -37.63 84.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.892 0.377 . . . . 0.0 110.381 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.447 ' CD ' HH11 ' A' ' 10' ' ' ARG . 49.9 tp10 -63.24 -38.12 89.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.057 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.419 HD11 HG21 ' A' ' 8' ' ' ILE . 39.0 mm -62.19 -41.72 92.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.742 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.0 m -60.36 -42.37 95.61 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.447 HH11 ' CD ' ' A' ' 7' ' ' GLU . 57.4 ttp180 -62.86 -41.44 99.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.339 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.5 t -56.11 -44.07 78.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.915 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -61.9 -41.9 98.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.351 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -60.8 -40.34 92.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.182 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.85 -41.56 97.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.489 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.68 -42.14 95.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.986 0.422 . . . . 0.0 110.517 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.34 -38.53 91.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.629 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.36 -10.28 31.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.315 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.0 p -59.09 -21.66 59.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.697 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.9 t -80.8 -17.43 50.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.893 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.46 ' C ' ' H ' ' B' ' 2' ' ' ASN . 23.6 t . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.611 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.7 mttp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.855 0.36 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.46 ' H ' ' C ' ' A' ' 20' ' ' SER . 17.3 p-10 -61.2 149.74 81.53 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.82 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.497 ' O ' ' OE2' ' B' ' 6' ' ' GLU . 32.7 Cg_endo -64.14 -21.79 67.6 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 122.643 2.229 . . . . 0.0 111.956 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.8 -12.77 51.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.209 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.46 -36.85 74.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.127 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.497 ' OE2' ' O ' ' B' ' 3' ' ' PRO . 13.6 mp0 -61.54 -37.27 83.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 110.451 178.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.491 ' CD ' HH11 ' B' ' 10' ' ' ARG . 50.0 tp10 -63.74 -38.34 90.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.031 0.443 . . . . 0.0 110.05 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.4 HD11 HG21 ' B' ' 8' ' ' ILE . 38.1 mm -62.0 -41.51 91.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.718 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 94.6 m -60.54 -42.5 96.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.491 HH11 ' CD ' ' B' ' 7' ' ' GLU . 57.0 ttp180 -62.45 -42.24 99.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.369 179.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 35.5 t -55.75 -43.55 76.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.251 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -62.08 -41.27 98.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.315 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -61.43 -40.07 93.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.219 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.02 -41.81 98.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.606 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.67 -41.93 95.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.028 0.442 . . . . 0.0 110.526 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.71 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.618 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -65.82 -9.97 33.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.215 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 91.1 p -59.28 -21.72 60.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.681 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 37.1 t -80.69 -17.38 51.31 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.895 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.463 ' C ' ' H ' ' C' ' 2' ' ' ASN . 23.0 t . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.622 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.886 0.374 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.463 ' H ' ' C ' ' B' ' 20' ' ' SER . 16.6 p-10 -61.57 149.89 82.82 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.76 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' PRO . . . . . 0.52 ' O ' ' OE2' ' C' ' 6' ' ' GLU . 34.1 Cg_endo -64.47 -21.72 66.0 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 122.685 2.257 . . . . 0.0 111.929 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -64.73 -12.52 47.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.187 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.74 -36.99 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.181 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.52 ' OE2' ' O ' ' C' ' 3' ' ' PRO . 15.4 mp0 -61.51 -37.34 83.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 110.402 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . 0.485 ' CD ' HH11 ' C' ' 10' ' ' ARG . 50.3 tp10 -63.65 -38.16 90.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.12 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 38.7 mm -62.07 -41.43 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -60.7 -42.5 97.32 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.485 HH11 ' CD ' ' C' ' 7' ' ' GLU . 57.4 ttp180 -62.6 -42.01 99.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.951 0.405 . . . . 0.0 110.293 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 35.5 t -55.94 -43.68 77.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.221 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.29 -41.24 98.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.281 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -61.49 -39.8 92.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.164 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.11 -41.76 98.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.505 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.78 -41.89 95.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.954 0.407 . . . . 0.0 110.472 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.82 -38.07 89.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.743 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.89 -10.03 34.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.362 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 90.8 p -59.2 -21.7 59.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.601 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 36.7 t -80.24 -17.96 50.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.883 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.459 ' C ' ' H ' ' A' ' 2' ' ' ASN . 23.8 t . . . . . 0 C--N 1.32 -0.676 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.548 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt . . . . . 0 CA--C 1.516 -0.357 0 CA-C-O 121.106 0.479 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.476 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -66.99 154.73 91.86 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.069 -178.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -56.44 -21.1 35.9 Favored 'Trans proline' 0 N--CA 1.502 1.975 0 C-N-CA 122.313 2.009 . . . . 0.0 112.063 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.1 -15.81 47.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.515 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.75 -26.72 64.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.383 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.21 -38.11 85.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.306 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.515 ' OE2' ' NH1' ' A' ' 10' ' ' ARG . 49.7 tp10 -63.04 -38.79 92.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.307 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.489 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.4 mp -61.44 -42.43 93.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.847 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.4 m -60.48 -43.42 96.98 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.896 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.515 ' NH1' ' OE2' ' A' ' 7' ' ' GLU . 60.2 ttp180 -63.49 -42.16 98.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.078 0.466 . . . . 0.0 110.501 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -56.7 -44.5 81.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.11 -42.3 98.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.374 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.63 -42.04 96.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.283 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.81 -42.07 99.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.776 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.93 -40.13 94.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.192 0.52 . . . . 0.0 110.451 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.6 -34.86 77.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.579 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.37 -9.33 11.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.411 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.4 m -57.61 -33.62 68.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.64 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -79.29 -16.1 56.92 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.669 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.476 179.746 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt . . . . . 0 CA--C 1.517 -0.32 0 CA-C-O 121.118 0.485 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 0.1 OUTLIER -66.89 154.75 91.52 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.206 -178.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -56.46 -21.29 36.93 Favored 'Trans proline' 0 N--CA 1.502 1.995 0 C-N-CA 122.373 2.049 . . . . 0.0 111.99 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.94 -15.87 46.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.87 -26.82 64.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.322 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.03 -38.07 84.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.394 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.514 ' OE2' ' NH1' ' B' ' 10' ' ' ARG . 49.7 tp10 -62.97 -38.82 92.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.903 0.382 . . . . 0.0 110.372 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.497 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.4 mp -61.63 -42.39 93.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.803 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 90.2 m -60.49 -43.44 96.99 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.79 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.514 ' NH1' ' OE2' ' B' ' 7' ' ' GLU . 60.6 ttp180 -63.77 -41.97 97.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.466 178.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 16.0 t -56.77 -44.44 81.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.814 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.32 -42.37 98.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.276 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.49 -41.87 95.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.139 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.8 -42.01 99.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.84 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.405 ' O ' ' OG ' ' B' ' 18' ' ' SER . 86.4 mt -64.93 -39.98 94.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.182 0.515 . . . . 0.0 110.596 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.81 -34.64 77.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.469 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.25 -9.56 12.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.386 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' B' ' 15' ' ' LEU . 65.2 m -57.39 -33.6 68.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.122 0.486 . . . . 0.0 110.515 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -79.35 -16.04 56.93 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.476 179.721 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt . . . . . 0 CA--C 1.516 -0.361 0 CA-C-O 121.088 0.471 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' C' ' 2' ' ' ASN . 0.1 OUTLIER -66.98 154.71 91.86 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.11 -178.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.47 -21.3 37.05 Favored 'Trans proline' 0 N--CA 1.501 1.967 0 C-N-CA 122.393 2.062 . . . . 0.0 112.137 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.86 -15.77 44.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.537 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.81 -26.72 64.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.27 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.15 -38.23 85.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.444 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . 0.505 ' CD ' HH11 ' C' ' 10' ' ' ARG . 49.9 tp10 -63.07 -38.7 92.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.863 0.363 . . . . 0.0 110.277 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . 0.496 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.4 mp -61.68 -42.44 94.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.865 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 93.0 m -60.37 -43.48 96.54 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.857 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.505 HH11 ' CD ' ' C' ' 7' ' ' GLU . 60.4 ttp180 -63.58 -42.11 98.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.042 0.449 . . . . 0.0 110.318 178.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 11.1 t -56.57 -44.78 81.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.06 -42.29 98.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.329 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -60.54 -42.04 95.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.304 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.81 -42.02 99.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.749 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.79 -40.15 94.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.204 0.526 . . . . 0.0 110.527 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.62 -34.92 78.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.618 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.31 -9.23 10.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.448 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 68.6 m -57.66 -33.82 68.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -79.36 -16.24 56.6 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.794 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.609 179.826 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.097 0.475 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.561 ' H ' ' HG ' ' C' ' 20' ' ' SER . 0.0 OUTLIER -65.48 153.68 89.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.95 -178.803 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.46 -25.51 58.41 Favored 'Trans proline' 0 N--CA 1.499 1.796 0 C-N-CA 122.458 2.105 . . . . 0.0 112.237 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.03 -19.99 63.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.506 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.38 -32.7 68.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.257 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.59 -36.3 80.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.175 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.509 ' OE2' ' NH1' ' A' ' 10' ' ' ARG . 48.2 tp10 -62.31 -40.35 96.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.944 0.402 . . . . 0.0 110.147 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.434 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.7 mp -61.51 -43.37 96.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.064 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.3 m -61.04 -42.54 98.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.147 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.509 ' NH1' ' OE2' ' A' ' 7' ' ' GLU . 58.3 ttp180 -60.38 -35.3 75.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.113 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' O ' HD22 ' A' ' 15' ' ' LEU . 9.9 t -52.22 -41.67 62.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.369 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.36 -38.34 83.53 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.561 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.51 -38.96 89.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.164 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.36 -43.16 99.46 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.699 -179.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 3.9 mm? -63.07 -42.72 99.74 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.375 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.14 -39.88 93.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.248 0.547 . . . . 0.0 110.408 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -68.52 -11.56 60.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.396 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 15' ' ' LEU . 83.0 p -58.64 -26.46 63.77 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.39 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.8 p -85.43 -14.17 47.04 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.159 0.504 . . . . 0.0 110.948 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.522 ' HG ' ' H ' ' B' ' 2' ' ' ASN . 45.7 t . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.786 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 121.033 0.444 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.522 ' H ' ' HG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -65.54 153.61 90.02 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.902 -178.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -56.68 -25.44 60.07 Favored 'Trans proline' 0 N--CA 1.499 1.8 0 C-N-CA 122.502 2.134 . . . . 0.0 112.129 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.1 -19.83 63.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.58 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.46 -32.63 68.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.394 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.44 -35.95 79.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.187 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.506 ' OE2' ' NH1' ' B' ' 10' ' ' ARG . 48.2 tp10 -62.41 -40.13 95.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.425 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.7 mp -61.87 -43.48 97.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.348 -0.387 . . . . 0.0 109.987 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -60.9 -42.56 98.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.193 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.506 ' NH1' ' OE2' ' B' ' 7' ' ' GLU . 57.9 ttp180 -60.48 -35.54 76.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.993 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . 0.457 ' O ' HD22 ' B' ' 15' ' ' LEU . 10.8 t -52.08 -41.51 62.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.368 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.4 -38.34 83.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.823 0.344 . . . . 0.0 110.514 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.37 -39.15 89.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.214 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.17 -43.41 98.9 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.671 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' B' ' 15' ' ' LEU . 3.9 mm? -63.05 -42.73 99.8 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.327 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -65.24 -39.72 93.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.246 0.546 . . . . 0.0 110.315 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.44 -11.5 59.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.264 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' B' ' 15' ' ' LEU . 82.7 p -58.75 -26.81 64.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.427 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.3 p -85.45 -14.47 46.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.942 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.533 ' HG ' ' H ' ' C' ' 2' ' ' ASN . 40.8 t . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.77 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 121.095 0.474 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.533 ' H ' ' HG ' ' B' ' 20' ' ' SER . 0.0 OUTLIER -65.34 153.58 89.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.93 -178.867 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.56 -25.48 59.17 Favored 'Trans proline' 0 N--CA 1.499 1.835 0 C-N-CA 122.582 2.188 . . . . 0.0 112.128 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.06 -19.53 63.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.46 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.0 69.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.191 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.44 -36.72 81.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.161 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . 0.519 ' OE2' ' NH1' ' C' ' 10' ' ' ARG . 47.7 tp10 -62.02 -40.44 95.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.119 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . 0.434 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.7 mp -61.55 -43.28 96.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.014 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.8 m -61.08 -42.52 98.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.319 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.519 ' NH1' ' OE2' ' C' ' 7' ' ' GLU . 58.2 ttp180 -60.49 -35.3 75.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.027 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . 0.46 ' O ' HD22 ' C' ' 15' ' ' LEU . 9.5 t -52.24 -41.26 62.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.402 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.47 -38.01 82.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.813 0.339 . . . . 0.0 110.465 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.0 -39.01 90.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.157 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.2 -43.3 99.15 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.656 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' C' ' 15' ' ' LEU . 4.0 mm? -63.08 -42.79 99.72 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.488 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.1 -39.62 93.39 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.323 0.582 . . . . 0.0 110.482 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -68.91 -11.33 60.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.304 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' C' ' 15' ' ' LEU . 84.2 p -58.5 -26.23 63.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.346 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 83.7 p -85.89 -14.65 44.21 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.899 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.561 ' HG ' ' H ' ' A' ' 2' ' ' ASN . 43.6 t . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.724 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.944 0.402 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -61.58 149.61 83.67 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.887 -179.276 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.39 -20.67 66.53 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.706 2.271 . . . . 0.0 112.048 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.48 -14.33 56.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.392 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.95 -25.6 63.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.364 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -60.56 -36.8 79.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.454 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' OE1' ' NH1' ' A' ' 10' ' ' ARG . 47.3 tp10 -62.58 -39.47 93.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.402 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.529 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.6 mp -61.92 -42.54 95.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.966 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.9 m -61.03 -42.13 97.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.885 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.403 ' NH1' ' OE1' ' A' ' 7' ' ' GLU . 58.0 ttp180 -62.58 -41.25 98.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.097 0.475 . . . . 0.0 110.026 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.49 -40.36 91.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.409 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -59.9 -43.29 94.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.865 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.1 -39.74 95.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.056 0.455 . . . . 0.0 110.33 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.42 -41.92 99.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.916 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.427 ' O ' ' OG ' ' A' ' 18' ' ' SER . 94.8 mt -63.17 -42.4 99.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.268 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.06 -40.08 75.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.409 0.623 . . . . 0.0 110.626 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -69.49 -9.87 55.66 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.243 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 15' ' ' LEU . 84.8 p -58.85 -21.72 57.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.408 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.4 m -82.64 -11.47 58.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.783 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.658 179.711 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.76 0.314 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.441 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 0.1 OUTLIER -61.31 149.66 82.32 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.044 -179.309 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.85 -20.35 64.55 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.671 2.247 . . . . 0.0 112.018 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -64.49 -14.38 56.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.83 -25.57 63.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.494 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -60.57 -36.88 79.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.383 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.58 -38.96 92.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.246 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.52 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.6 mp -62.22 -42.42 95.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.984 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 90.8 m -61.18 -42.05 97.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.852 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -62.59 -41.7 99.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.076 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.06 -40.08 88.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.484 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.29 -43.6 96.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.974 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.07 -39.75 95.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.068 0.461 . . . . 0.0 109.97 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.86 -42.72 99.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.993 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.86 -42.67 99.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.316 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -69.53 -39.96 77.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.363 0.602 . . . . 0.0 110.641 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -69.53 -9.66 54.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.165 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 67.1 p -58.7 -22.54 57.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.573 -178.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -81.94 -12.9 58.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.717 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.71 179.562 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.825 0.345 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.462 ' O ' ' ND2' ' C' ' 2' ' ' ASN . 0.1 OUTLIER -61.42 149.77 82.49 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 -179.161 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.31 -21.32 67.02 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.63 2.22 . . . . 0.0 112.106 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.55 -14.31 50.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.41 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.81 -25.6 63.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.331 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -60.59 -37.16 80.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.554 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -62.41 -39.09 92.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.426 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.6 mp -62.25 -42.34 94.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.019 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 88.2 m -61.49 -41.95 98.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.81 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -62.6 -41.24 98.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.075 0.464 . . . . 0.0 110.12 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.82 -39.96 90.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.506 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -60.17 -43.34 95.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.993 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.05 -39.57 95.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.947 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.24 -42.46 99.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.979 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.456 ' O ' ' OG ' ' C' ' 18' ' ' SER . 96.9 mt -62.8 -42.61 99.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.291 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.06 -39.91 75.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.363 0.601 . . . . 0.0 110.659 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.54 -10.12 56.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.487 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' C' ' 15' ' ' LEU . 92.8 p -58.63 -21.88 55.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.439 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 74.5 m -82.49 -12.82 57.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.876 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.403 ' C ' ' H ' ' A' ' 2' ' ' ASN . 19.8 m . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 121.126 0.488 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' C' ' 20' ' ' SER . 33.5 p-10 -63.86 150.08 91.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.239 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.25 -18.99 65.32 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.377 2.051 . . . . 0.0 111.952 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -63.65 -14.9 56.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.635 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.32 -26.64 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.503 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.27 -38.2 85.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.197 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -62.69 -38.05 88.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.767 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.515 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -62.15 -44.86 99.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.8 m -61.95 -43.19 99.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 109.871 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -63.34 -40.61 97.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.736 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 t -54.21 -45.5 72.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.763 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -62.04 -42.86 99.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.083 0.468 . . . . 0.0 109.976 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -61.81 -38.98 90.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.375 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.2 mt -62.12 -41.96 98.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.513 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.54 -41.47 96.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.095 0.474 . . . . 0.0 110.411 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.42 -37.05 85.78 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.164 0.507 . . . . 0.0 110.574 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.72 -9.4 19.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.637 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.7 p -59.02 -22.74 61.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 110.7 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.9 m -84.07 -13.2 53.7 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.72 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.662 179.645 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 CA--C 1.522 -0.1 0 CA-C-O 121.005 0.431 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -64.19 150.13 93.0 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.161 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -64.37 -18.96 64.95 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.388 2.058 . . . . 0.0 112.089 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -63.57 -15.18 57.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.625 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.24 -26.6 63.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.583 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -61.21 -38.41 86.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -62.61 -38.04 88.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.809 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.504 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -62.03 -44.71 99.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.7 m -62.1 -43.24 99.26 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -63.33 -40.75 98.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.719 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -53.92 -45.51 71.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.797 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -62.1 -42.89 99.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.13 0.49 . . . . 0.0 109.93 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -61.76 -39.04 90.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.344 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 71.6 mt -61.98 -42.0 98.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.575 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.69 -41.36 96.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.029 0.442 . . . . 0.0 110.422 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.44 -36.94 85.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.184 0.516 . . . . 0.0 110.628 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.86 -9.28 19.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.705 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 95.4 p -58.85 -22.83 59.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.014 0.435 . . . . 0.0 110.722 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -84.12 -13.41 53.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.642 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.738 179.726 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.97 0.414 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -64.22 150.18 93.01 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.243 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.35 -18.99 65.07 Favored 'Trans proline' 0 N--CA 1.499 1.798 0 C-N-CA 122.397 2.065 . . . . 0.0 112.059 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -63.7 -14.92 56.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.622 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.26 -26.71 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.472 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.18 -38.4 86.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.115 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -62.71 -38.06 88.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.708 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . 0.507 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.6 mp -62.11 -44.71 99.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -61.87 -43.27 99.19 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -63.28 -40.76 98.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.748 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 10.8 t -53.96 -45.62 71.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.664 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -61.97 -42.94 99.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.082 0.468 . . . . 0.0 109.945 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -61.82 -39.01 90.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.363 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.07 -42.03 98.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.598 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.7 -41.42 96.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.976 0.417 . . . . 0.0 110.388 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.58 -36.96 85.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.174 0.511 . . . . 0.0 110.569 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.54 -9.61 20.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.484 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 94.9 p -58.78 -22.68 58.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.966 0.413 . . . . 0.0 110.753 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 69.2 m -83.94 -13.39 53.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.805 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 2' ' ' ASN . 26.0 t . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.659 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.521 -0.146 0 CA-C-O 120.948 0.404 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' C' ' 20' ' ' SER . 24.3 p-10 -62.2 151.51 81.32 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.015 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.405 ' O ' ' OE1' ' A' ' 6' ' ' GLU . 35.3 Cg_endo -63.04 -19.01 68.0 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.457 2.105 . . . . 0.0 111.952 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.08 -13.92 59.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.507 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.59 -27.76 64.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.52 ' N ' ' OE2' ' A' ' 6' ' ' GLU . 0.9 OUTLIER -61.11 -37.7 83.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.783 0.325 . . . . 0.0 110.147 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.486 ' OE2' ' NH1' ' A' ' 10' ' ' ARG . 48.5 tp10 -62.69 -39.06 92.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.879 0.371 . . . . 0.0 110.454 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.507 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.4 mp -61.74 -42.36 94.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.1 m -60.44 -43.09 97.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.486 ' NH1' ' OE2' ' A' ' 7' ' ' GLU . 61.1 ttp180 -62.9 -42.15 99.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.046 0.451 . . . . 0.0 110.116 178.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 t -58.68 -40.48 83.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.436 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.12 -42.2 98.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.154 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -60.56 -41.87 95.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.085 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.33 -42.46 99.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.403 ' O ' ' OG ' ' A' ' 18' ' ' SER . 94.3 mt -65.23 -42.06 93.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.09 0.471 . . . . 0.0 110.616 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.55 -37.79 88.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.739 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.31 -9.89 28.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.439 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 15' ' ' LEU . 94.9 p -58.89 -23.82 61.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.883 0.373 . . . . 0.0 110.772 -179.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.5 p -82.93 -13.16 56.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.953 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.411 ' C ' ' H ' ' B' ' 2' ' ' ASN . 35.2 t . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.955 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 121.022 0.439 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ASN . . . . . 0.411 ' H ' ' C ' ' A' ' 20' ' ' SER . 24.1 p-10 -62.02 151.45 80.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.032 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.417 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 33.9 Cg_endo -62.84 -19.08 67.69 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.568 2.179 . . . . 0.0 111.871 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.98 -13.94 58.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.428 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.48 -27.92 64.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.541 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.521 ' OE2' ' N ' ' B' ' 6' ' ' GLU . 0.9 OUTLIER -61.08 -37.61 83.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.788 0.328 . . . . 0.0 110.259 179.629 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.488 ' OE2' ' NH1' ' B' ' 10' ' ' ARG . 48.4 tp10 -62.71 -39.12 93.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.34 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.501 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.4 mp -61.62 -42.43 94.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 91.9 m -60.49 -43.06 97.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.488 ' NH1' ' OE2' ' B' ' 7' ' ' GLU . 61.3 ttp180 -63.06 -41.98 99.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.977 0.418 . . . . 0.0 110.066 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 t -58.9 -40.23 83.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.558 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.33 -42.16 98.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.164 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.59 -41.79 95.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.063 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.35 -42.52 99.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.766 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.407 ' O ' ' OG ' ' B' ' 18' ' ' SER . 95.1 mt -65.2 -42.07 93.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.066 0.46 . . . . 0.0 110.554 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.61 -38.1 89.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.788 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.18 -9.8 26.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.475 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' B' ' 15' ' ' LEU . 94.6 p -58.96 -23.74 61.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.629 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -82.6 -13.39 56.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.869 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.41 ' C ' ' H ' ' C' ' 2' ' ' ASN . 32.9 t . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.816 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.976 0.417 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' C' ' 2' ' ' ASN . 24.6 p-10 -61.89 151.55 79.41 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.036 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' PRO . . . . . 0.406 ' O ' ' OE1' ' C' ' 6' ' ' GLU . 35.9 Cg_endo -63.19 -18.85 66.95 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 122.466 2.11 . . . . 0.0 111.851 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.02 -13.99 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.581 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.65 -27.8 65.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.52 ' N ' ' OE2' ' C' ' 6' ' ' GLU . 0.9 OUTLIER -61.08 -37.68 83.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.188 179.676 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . 0.497 ' OE2' ' NH1' ' C' ' 10' ' ' ARG . 48.7 tp10 -62.74 -39.1 93.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 0.0 110.409 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' ILE . . . . . 0.495 ' N ' ' CD1' ' C' ' 8' ' ' ILE . 1.4 mp -61.67 -42.3 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 90.6 m -60.54 -43.02 97.65 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.624 -0.43 . . . . 0.0 109.876 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.497 ' NH1' ' OE2' ' C' ' 7' ' ' GLU . 61.1 ttp180 -62.97 -41.99 99.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.97 0.414 . . . . 0.0 110.122 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 15.6 t -58.87 -40.22 83.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.571 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -61.12 -42.19 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.12 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.7 -41.63 95.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.045 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.41 -42.54 99.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.823 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.4 ' O ' ' OG ' ' C' ' 18' ' ' SER . 93.9 mt -65.33 -42.04 93.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.021 0.439 . . . . 0.0 110.555 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.58 -37.97 89.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.807 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.26 -9.89 27.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.385 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' C' ' 15' ' ' LEU . 94.7 p -58.96 -23.57 61.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.631 -179.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 84.7 p -82.85 -13.7 55.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.889 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.41 ' C ' ' H ' ' A' ' 2' ' ' ASN . 36.7 t . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.916 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.972 0.415 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.473 HD21 ' HB3' ' C' ' 17' ' ' ASP . 38.7 p-10 -66.75 150.37 97.65 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.67 -19.5 59.74 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.636 2.224 . . . . 0.0 112.013 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.97 -17.94 63.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.426 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.76 -27.27 64.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.254 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.43 -36.67 81.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.285 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.536 ' OE1' ' NH1' ' A' ' 10' ' ' ARG . 42.3 tp10 -61.94 -40.2 94.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.99 0.424 . . . . 0.0 110.703 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.659 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -61.9 -42.06 93.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.194 0.521 . . . . 0.0 109.779 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.0 m -60.45 -41.31 93.82 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.729 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.536 ' NH1' ' OE1' ' A' ' 7' ' ' GLU . 57.9 ttp180 -61.75 -41.77 98.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.163 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.3 m -55.14 -45.01 75.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.311 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.13 -44.5 92.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.387 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.9 -39.21 93.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.119 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.0 mt -62.54 -42.11 99.32 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.051 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.16 -42.69 99.48 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.366 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -66.28 -39.95 89.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.358 0.599 . . . . 0.0 110.685 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.453 ' HB3' HD21 ' B' ' 2' ' ' ASN . 97.9 m-20 -68.08 -11.32 58.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.427 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -56.12 -30.09 61.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.3 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -80.77 -11.65 59.58 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.853 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.318 -0.768 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.74 179.614 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.453 HD21 ' HB3' ' A' ' 17' ' ' ASP . 39.2 p-10 -67.66 150.32 97.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.913 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.71 -19.25 59.59 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.631 2.221 . . . . 0.0 111.999 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -64.23 -18.32 64.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.57 -27.07 64.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.211 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.39 -36.48 80.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.315 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.553 ' OE1' ' NH1' ' B' ' 10' ' ' ARG . 42.9 tp10 -62.13 -40.22 95.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.089 0.471 . . . . 0.0 110.72 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.658 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.7 mp -61.94 -42.32 94.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.112 0.482 . . . . 0.0 109.882 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 97.3 m -60.3 -41.16 92.86 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.707 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.553 ' NH1' ' OE1' ' B' ' 7' ' ' GLU . 57.4 ttp180 -62.0 -41.97 98.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.25 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 36.9 m -55.27 -44.18 75.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.384 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.7 -44.65 93.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.331 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.52 -39.23 92.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.995 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.39 -41.97 99.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.29 -42.42 99.06 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.349 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.71 -40.37 88.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.419 0.628 . . . . 0.0 110.778 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ASP . . . . . 0.482 ' HB3' HD21 ' C' ' 2' ' ' ASN . 97.9 m-20 -67.61 -11.22 57.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.307 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.6 t -55.7 -30.51 61.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.361 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.2 p -80.42 -11.41 59.69 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 C--N 1.319 -0.759 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.827 179.418 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.003 0.43 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 2' ' ' ASN . . . . . 0.482 HD21 ' HB3' ' B' ' 17' ' ' ASP . 40.5 p-10 -66.74 150.66 97.44 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.702 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.63 -19.88 59.95 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.703 2.269 . . . . 0.0 112.017 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -63.67 -18.21 63.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.518 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.88 63.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.65 -37.03 82.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.416 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' GLU . . . . . 0.531 ' OE1' ' NH1' ' C' ' 10' ' ' ARG . 41.6 tp10 -61.86 -40.21 94.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.055 0.455 . . . . 0.0 110.683 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 8' ' ' ILE . . . . . 0.672 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.6 mp -61.83 -42.31 94.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.133 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 97.2 m -60.31 -41.33 93.22 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.668 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.531 ' NH1' ' OE1' ' C' ' 7' ' ' GLU . 57.6 ttp180 -61.73 -41.75 98.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.253 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 52.6 m -55.36 -44.29 75.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.388 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.65 -44.66 93.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.892 0.377 . . . . 0.0 110.341 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -62.7 -39.03 92.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.911 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 65.2 mt -62.39 -42.42 99.41 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.024 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.19 -42.63 99.38 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.406 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -66.0 -40.44 91.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.44 0.638 . . . . 0.0 110.691 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' ASP . . . . . 0.473 ' HB3' HD21 ' A' ' 2' ' ' ASN . 97.7 m-20 -67.92 -11.14 58.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.352 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t -55.87 -29.79 60.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.456 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 84.1 p -80.65 -12.09 59.54 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.031 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 C--N 1.319 -0.75 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.984 179.611 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 CA--C 1.521 -0.159 0 CA-C-O 121.017 0.437 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' C' ' 20' ' ' SER . 34.2 p-10 -61.57 149.18 84.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.805 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.48 -19.42 60.93 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.605 2.203 . . . . 0.0 112.126 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.4 -13.7 52.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.525 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.72 -26.05 63.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.45 -38.64 84.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.429 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.518 ' CD ' HH11 ' A' ' 10' ' ' ARG . 9.3 tp10 -63.15 -40.71 98.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.102 0.477 . . . . 0.0 110.361 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -62.71 -40.32 88.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.027 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.2 m -59.27 -42.98 92.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.878 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.518 HH11 ' CD ' ' A' ' 7' ' ' GLU . 96.0 mtm-85 -65.01 -37.69 88.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.059 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 t -53.33 -47.3 69.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.937 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -62.84 -43.45 98.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.419 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -62.72 -39.56 94.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.248 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.9 mt -61.98 -42.53 99.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.639 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.73 -40.53 92.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.151 0.501 . . . . 0.0 110.454 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.98 -38.06 89.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.889 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -65.72 -10.39 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.493 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.5 p -59.89 -20.46 57.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.922 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.8 p -79.77 -14.04 59.0 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.013 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.793 179.368 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 120.936 0.398 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -62.32 149.74 86.71 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.795 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.74 -19.33 59.39 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 122.586 2.191 . . . . 0.0 112.041 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.32 -13.9 52.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.613 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.81 -25.99 63.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.369 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.57 -38.51 84.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.292 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.55 ' CD ' HH11 ' B' ' 10' ' ' ARG . 9.7 tp10 -63.14 -41.0 99.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.132 0.491 . . . . 0.0 110.383 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.612 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.7 mp -62.81 -40.16 87.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.007 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.5 m -59.07 -42.95 91.61 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.55 HH11 ' CD ' ' B' ' 7' ' ' GLU . 96.0 mtm-85 -64.98 -37.59 88.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.216 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 9.8 t -53.42 -47.53 69.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.215 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.88 -43.17 99.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.381 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -62.71 -39.6 94.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.288 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 43.2 mt -62.0 -42.31 99.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.626 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.82 -40.64 92.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.115 0.483 . . . . 0.0 110.461 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.84 -38.24 90.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.785 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -65.86 -10.38 37.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.55 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 56.6 p -60.04 -20.48 58.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.9 p -79.33 -14.92 58.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.319 -0.736 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.794 179.41 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.958 0.408 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -62.02 149.74 85.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.863 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.78 -19.28 59.15 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 122.633 2.222 . . . . 0.0 112.11 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.39 -13.86 53.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.587 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.71 -26.17 63.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.462 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.51 -38.57 84.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.353 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' GLU . . . . . 0.549 ' CD ' HH11 ' C' ' 10' ' ' ARG . 9.7 tp10 -63.16 -40.71 98.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.04 0.448 . . . . 0.0 110.229 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 8' ' ' ILE . . . . . 0.602 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.7 mp -62.66 -40.3 87.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.042 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.2 m -59.19 -43.1 92.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.906 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.549 HH11 ' CD ' ' C' ' 7' ' ' GLU . 96.0 mtm-85 -64.84 -37.63 88.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.1 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 10.4 t -53.23 -47.48 68.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.165 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.77 -43.43 98.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.372 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.61 -39.64 94.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.248 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.14 -42.26 99.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.588 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 15' ' ' LEU . 98.3 mt -65.83 -40.55 91.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.149 0.499 . . . . 0.0 110.389 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.01 -38.36 90.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.871 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -65.62 -10.13 33.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.569 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 57.5 p -60.43 -20.18 58.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 88.7 p -79.59 -14.23 58.97 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.083 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 2' ' ' ASN . 19.4 t . . . . . 0 C--N 1.319 -0.761 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.78 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.516 -0.362 0 CA-C-O 121.049 0.452 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.483 ' H ' ' C ' ' C' ' 20' ' ' SER . 14.2 p-10 -59.86 150.52 68.28 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.327 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -57.08 -28.42 78.69 Favored 'Trans proline' 0 N--CA 1.504 2.122 0 C-N-CA 122.564 2.176 . . . . 0.0 112.304 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -62.61 -12.93 26.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.644 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.19 -34.16 70.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.135 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.95 -39.43 92.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.031 0.443 . . . . 0.0 110.348 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.83 -36.27 83.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.14 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.661 HG21 ' HB2' ' C' ' 18' ' ' SER . 44.4 mm -62.3 -41.95 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.566 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.4 m -60.87 -42.04 97.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.845 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.2 mtp85 -62.32 -39.38 92.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.379 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 t -57.77 -44.37 86.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.547 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.22 -42.03 98.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.412 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.0 -40.06 95.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.599 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.7 mt -62.6 -43.43 98.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.65 -42.96 98.06 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.382 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -66.74 -40.82 88.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.43 0.633 . . . . 0.0 110.659 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -70.16 -11.06 60.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.286 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.677 ' HB2' HG21 ' B' ' 8' ' ' ILE . 55.1 p -59.39 -20.19 52.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.529 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.2 p -79.79 -14.04 58.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.624 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.457 ' C ' ' H ' ' B' ' 2' ' ' ASN . 48.9 m . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.578 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 CA--C 1.517 -0.314 0 CA-C-O 120.933 0.397 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.457 ' H ' ' C ' ' A' ' 20' ' ' SER . 15.6 p-10 -60.06 150.42 70.38 Favored Pre-proline 0 C--N 1.323 -0.581 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.343 -178.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -57.24 -28.79 81.21 Favored 'Trans proline' 0 N--CA 1.504 2.141 0 C-N-CA 122.544 2.163 . . . . 0.0 112.448 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.31 -12.98 24.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.398 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.09 -34.43 70.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.045 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.84 -39.54 92.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.937 0.398 . . . . 0.0 110.403 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -64.59 -36.23 83.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.016 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.677 HG21 ' HB2' ' A' ' 18' ' ' SER . 45.0 mm -62.46 -41.82 93.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.61 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -60.66 -41.98 96.09 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -62.32 -39.83 94.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -57.22 -44.59 83.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.06 -42.12 98.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.458 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.98 -40.05 95.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.701 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 24.5 mt -62.53 -43.41 98.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.636 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.83 -42.81 97.54 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.214 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -66.76 -40.92 88.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.445 0.641 . . . . 0.0 110.64 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.17 -11.3 60.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.286 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.662 ' HB2' HG21 ' C' ' 8' ' ' ILE . 56.3 p -59.58 -19.85 51.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.452 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p -79.89 -14.7 58.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.135 0.493 . . . . 0.0 110.594 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.491 ' C ' ' H ' ' C' ' 2' ' ' ASN . 48.7 m . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.745 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.516 -0.331 0 CA-C-O 121.102 0.477 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 2' ' ' ASN . . . . . 0.491 ' H ' ' C ' ' B' ' 20' ' ' SER . 15.7 p-10 -59.82 150.68 67.15 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.345 -178.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -57.24 -28.47 79.72 Favored 'Trans proline' 0 N--CA 1.504 2.127 0 C-N-CA 122.529 2.152 . . . . 0.0 112.346 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.5 -13.19 27.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.533 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.95 -34.02 69.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.124 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.09 -39.68 93.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.973 0.416 . . . . 0.0 110.4 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.56 -36.12 83.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.057 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' ILE . . . . . 0.662 HG21 ' HB2' ' B' ' 18' ' ' SER . 43.8 mm -62.35 -42.03 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.657 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 93.4 m -60.63 -42.15 96.33 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -62.25 -39.61 93.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.63 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -57.57 -44.21 85.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.554 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.13 -42.2 99.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.443 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.05 -40.13 95.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.712 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 25.3 mt -62.62 -43.36 99.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.589 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.41 ' O ' ' OG ' ' C' ' 18' ' ' SER . 90.1 mt -63.84 -42.84 97.5 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.361 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.68 -40.78 88.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.407 0.622 . . . . 0.0 110.667 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -70.36 -11.46 60.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.271 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' SER . . . . . 0.661 ' HB2' HG21 ' A' ' 8' ' ' ILE . 54.4 p -59.68 -19.8 52.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.396 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -79.79 -14.46 58.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.682 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 2' ' ' ASN . 56.9 m . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.573 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.464 0.258 0 CA-C-O 121.101 0.477 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.608 ' ND2' ' OG ' ' C' ' 20' ' ' SER . 5.6 p30 -64.03 156.18 75.25 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.038 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.49 -23.16 30.44 Favored 'Trans proline' 0 N--CA 1.503 2.034 0 C-N-CA 122.225 1.95 . . . . 0.0 111.908 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.67 -13.03 27.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.0 0.428 . . . . 0.0 110.404 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.31 -30.29 66.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.218 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.06 -40.28 95.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.879 0.371 . . . . 0.0 110.191 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.426 ' OE1' ' NH1' ' A' ' 10' ' ' ARG . 49.2 tp10 -64.87 -38.23 90.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.04 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.6 mm -61.96 -41.94 92.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.539 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.8 m -60.68 -42.28 96.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.03 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.426 ' NH1' ' OE1' ' A' ' 7' ' ' GLU . 59.8 ttp180 -61.78 -42.29 98.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.976 0.417 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.1 t -60.85 -37.75 83.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.202 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.57 -44.14 97.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.201 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.71 -40.16 94.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.252 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.12 -40.98 99.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.047 0.451 . . . . 0.0 110.313 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.9 mt -64.47 -40.69 96.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.168 0.508 . . . . 0.0 110.439 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.74 -29.59 69.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.806 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.86 -8.28 10.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.221 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.7 m -56.49 -32.35 64.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.41 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.6 p -80.67 -9.94 59.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.775 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.598 ' OG ' ' ND2' ' B' ' 2' ' ' ASN . 25.3 p . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.622 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 120.989 0.423 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.598 ' ND2' ' OG ' ' A' ' 20' ' ' SER . 6.4 p30 -64.8 155.87 81.19 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.113 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.15 -23.35 28.96 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.313 2.008 . . . . 0.0 111.953 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -62.64 -12.92 26.23 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.084 0.469 . . . . 0.0 110.52 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.4 -30.39 66.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.189 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.9 -40.17 94.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.943 0.401 . . . . 0.0 110.018 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.415 ' OE1' ' NH1' ' B' ' 10' ' ' ARG . 48.6 tp10 -64.89 -38.22 90.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.047 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 44.8 mm -62.08 -41.97 93.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.538 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.1 m -60.61 -42.2 96.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.244 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.415 ' NH1' ' OE1' ' B' ' 7' ' ' GLU . 59.9 ttp180 -61.86 -42.18 98.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.243 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 t -60.92 -37.5 82.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.325 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.81 -43.98 97.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.245 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.88 -40.06 94.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.258 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.18 -41.05 99.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.049 0.452 . . . . 0.0 110.283 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.41 -40.84 96.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.192 0.52 . . . . 0.0 110.261 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.48 -29.91 70.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.814 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.8 -8.21 10.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.252 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 68.3 m -56.32 -32.32 64.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.344 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 89.5 p -80.53 -10.41 59.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.831 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.62 ' OG ' ' ND2' ' C' ' 2' ' ' ASN . 27.8 p . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.526 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.465 0.283 0 CA-C-O 121.13 0.49 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 2' ' ' ASN . . . . . 0.62 ' ND2' ' OG ' ' B' ' 20' ' ' SER . 5.8 p30 -63.89 156.03 75.02 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.166 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.13 -23.4 29.06 Favored 'Trans proline' 0 N--CA 1.501 1.966 0 C-N-CA 122.278 1.985 . . . . 0.0 111.949 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.49 -12.94 25.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.049 0.452 . . . . 0.0 110.503 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.45 66.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.193 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.9 -40.15 94.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.904 0.383 . . . . 0.0 110.031 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' GLU . . . . . 0.433 ' OE1' ' NH1' ' C' ' 10' ' ' ARG . 48.9 tp10 -64.99 -38.27 90.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.964 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 45.5 mm -62.11 -41.79 92.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.543 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 99.1 m -60.78 -42.16 96.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.127 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.433 ' NH1' ' OE1' ' C' ' 7' ' ' GLU . 59.8 ttp180 -61.85 -42.2 98.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 110.201 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 22.6 t -60.81 -37.89 83.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.277 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.67 -44.07 97.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.255 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.48 -40.24 93.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.282 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.26 -40.95 98.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.05 0.452 . . . . 0.0 110.17 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.49 -40.75 96.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.146 0.498 . . . . 0.0 110.364 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.32 -29.94 70.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.77 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' ASP . . . . . 0.409 ' O ' ' OG ' ' C' ' 20' ' ' SER . 97.7 m-20 -63.81 -8.32 10.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.311 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -56.42 -32.26 64.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.34 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 87.2 p -80.59 -10.32 59.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.812 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.608 ' OG ' ' ND2' ' A' ' 2' ' ' ASN . 24.7 p . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.699 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.4 mttp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.031 0.443 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' C' ' 20' ' ' SER . 31.0 p-10 -65.87 149.03 97.96 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.093 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -65.47 -19.62 60.96 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.277 1.985 . . . . 0.0 112.283 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.84 -17.85 63.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.631 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.67 -32.65 69.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.089 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.01 -37.23 84.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.323 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -62.48 -40.61 97.24 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.5 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.3 mp -62.36 -39.73 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.885 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.3 m -60.15 -42.27 94.52 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.442 ' NH2' HD11 ' A' ' 14' ' ' LEU . 70.1 ttp85 -62.2 -40.21 95.32 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.0 t -55.36 -43.09 74.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.102 0.477 . . . . 0.0 110.442 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.38 -38.98 88.98 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.654 -0.418 . . . . 0.0 109.958 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -60.48 -38.46 84.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.463 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.442 HD11 ' NH2' ' A' ' 10' ' ' ARG . 81.9 mt -61.6 -44.75 96.42 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.446 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 15' ' ' LEU . 9.3 mp -68.19 -37.21 80.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.04 0.448 . . . . 0.0 110.794 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.39 -37.87 84.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.599 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.59 -10.82 49.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.534 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.7 p -60.53 -20.08 59.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.029 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.3 m -80.52 -15.09 57.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.578 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.435 ' C ' ' H ' ' B' ' 2' ' ' ASN . 19.9 m . . . . . 0 C--N 1.32 -0.696 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.599 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 121.013 0.435 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.435 ' H ' ' C ' ' A' ' 20' ' ' SER . 30.3 p-10 -65.85 149.2 97.77 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.191 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.63 -19.61 60.0 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.393 2.062 . . . . 0.0 112.126 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.95 -17.86 63.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.61 -32.8 69.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.135 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.92 -37.19 83.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.348 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -62.38 -40.69 97.28 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.5 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.3 mp -62.23 -39.9 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.866 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.5 m -60.19 -42.2 94.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.142 0.496 . . . . 0.0 109.721 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.434 ' NH2' HD11 ' B' ' 14' ' ' LEU . 70.4 ttp85 -62.29 -40.43 96.26 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 47.4 t -54.9 -43.27 73.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.098 0.475 . . . . 0.0 110.577 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.32 -38.97 88.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.956 0.408 . . . . 0.0 109.906 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -60.36 -38.61 84.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.469 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.434 HD11 ' NH2' ' B' ' 10' ' ' ARG . 82.9 mt -61.68 -44.74 96.36 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.506 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.51 ' N ' HD12 ' B' ' 15' ' ' LEU . 9.1 mp -68.12 -37.4 81.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.116 0.484 . . . . 0.0 110.881 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.41 -37.8 84.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.678 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.44 -10.68 46.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.573 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 83.8 p -60.67 -19.89 59.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.8 m -80.43 -15.01 57.8 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.591 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.422 ' C ' ' H ' ' C' ' 2' ' ' ASN . 19.3 m . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.447 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.89 0.376 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 2' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' B' ' 20' ' ' SER . 30.0 p-10 -65.7 149.24 97.6 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.09 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.64 -19.61 59.95 Favored 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.345 2.03 . . . . 0.0 112.083 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.96 -17.7 63.53 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.018 0.437 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.47 -32.81 69.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.066 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.94 -37.24 83.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.404 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -62.52 -40.7 97.59 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' ILE . . . . . 0.496 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.3 mp -62.27 -39.92 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.908 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.6 m -59.95 -42.5 94.17 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.438 ' NH2' HD11 ' C' ' 14' ' ' LEU . 70.4 ttp85 -61.98 -40.59 96.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 49.0 t -54.9 -43.32 73.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.069 0.461 . . . . 0.0 110.482 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.2 -38.99 88.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.006 0.431 . . . . 0.0 110.016 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -60.39 -38.61 84.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' LEU . . . . . 0.438 HD11 ' NH2' ' C' ' 10' ' ' ARG . 82.8 mt -61.63 -44.73 96.43 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.495 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.499 HD12 ' N ' ' C' ' 15' ' ' LEU . 9.3 mp -68.15 -37.32 80.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.042 0.449 . . . . 0.0 110.862 178.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.3 -37.91 84.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.701 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.69 -10.55 47.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.583 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 84.1 p -60.55 -20.19 59.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.016 0.436 . . . . 0.0 110.889 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 73.5 m -80.52 -14.6 58.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.634 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 2' ' ' ASN . 21.7 m . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.581 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.0 mttp . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.105 0.478 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.506 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -65.8 154.48 88.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.082 -178.752 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.42 -26.06 60.92 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.394 2.062 . . . . 0.0 112.015 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.09 -16.14 50.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.303 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.63 -28.98 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.253 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.24 -38.44 89.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.152 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.68 -39.73 94.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.191 0.519 . . . . 0.0 109.808 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -62.26 -41.71 92.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.895 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -59.31 -41.64 89.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.853 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.37 -41.86 97.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.981 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.31 -36.66 84.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.141 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -59.11 -44.64 91.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.064 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.85 -40.12 96.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.235 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.07 -41.31 99.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.84 -40.88 97.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.626 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.69 -37.68 87.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.386 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.08 -10.28 29.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.36 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.5 p -58.21 -32.04 67.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.573 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.8 m -84.52 -14.36 49.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.737 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.627 179.551 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.977 0.418 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' B' ' 2' ' ' ASN . 0.1 OUTLIER -65.3 154.5 87.3 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.005 -178.824 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.31 -25.93 59.22 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.393 2.062 . . . . 0.0 112.123 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.0 -16.26 50.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.268 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.52 -28.99 65.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.15 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.28 -38.26 88.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.915 0.388 . . . . 0.0 110.185 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -62.83 -39.63 94.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.17 0.509 . . . . 0.0 109.851 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.538 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.5 mp -62.53 -41.69 92.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.948 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 98.4 m -59.46 -41.57 90.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.983 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -61.42 -41.66 97.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.963 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.93 -36.19 83.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.425 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -59.3 -44.29 92.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.991 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.05 -40.15 96.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.177 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.02 -41.26 99.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.87 -40.8 97.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.515 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.66 -37.74 87.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.378 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.08 -10.29 29.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.354 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 100.0 p -58.17 -31.91 67.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.3 m -84.58 -13.93 50.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.83 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.882 179.588 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 C--O 1.234 0.249 0 CA-C-O 121.009 0.433 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' C' ' 2' ' ' ASN . 0.1 OUTLIER -64.96 154.31 86.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.079 -178.701 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.43 -25.7 59.11 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 122.395 2.063 . . . . 0.0 111.993 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.33 -16.2 52.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.32 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.51 -28.89 65.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.18 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.21 -38.4 89.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.178 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -62.69 -39.8 95.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.139 0.495 . . . . 0.0 109.763 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' ILE . . . . . 0.527 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.5 mp -62.38 -41.67 92.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.002 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -59.43 -41.53 89.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.95 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.45 -41.82 97.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.99 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.41 -36.49 84.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.223 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -59.16 -44.47 92.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.04 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.05 -40.25 97.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.322 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 78.6 mt -63.0 -41.06 99.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.512 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.91 -40.98 97.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.524 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.57 -37.85 87.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.425 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.9 -10.72 30.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.406 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 96.5 p -58.0 -32.06 67.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.55 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 70.7 m -84.12 -14.02 51.42 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.719 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.951 179.614 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt . . . . . 0 N--CA 1.464 0.241 0 CA-C-O 120.951 0.405 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.431 ' C ' HD22 ' A' ' 2' ' ' ASN . 0.4 OUTLIER -60.93 154.92 56.91 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.083 -179.283 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.13 -24.57 41.54 Favored 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 122.59 2.193 . . . . 0.0 111.907 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.23 -11.59 15.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.345 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.69 -28.58 63.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.09 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.13 -40.92 97.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.392 . . . . 0.0 110.429 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.4 -36.47 84.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.479 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.3 mm -62.57 -42.69 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.828 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.6 m -60.98 -41.92 97.34 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.948 -0.389 . . . . 0.0 109.948 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.499 ' NH2' HD11 ' A' ' 14' ' ' LEU . 70.1 ttp85 -62.08 -41.99 98.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.136 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 t -56.97 -40.91 77.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.032 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.12 -42.97 99.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.212 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.28 -40.98 96.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.576 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.499 HD11 ' NH2' ' A' ' 10' ' ' ARG . 97.7 mt -63.03 -43.08 99.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.916 0.389 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.89 -39.53 93.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.135 0.493 . . . . 0.0 110.718 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.25 -35.14 78.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.524 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.18 -9.18 15.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.162 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.7 p -58.44 -26.06 62.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.8 0.333 . . . . 0.0 110.69 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.0 p -86.03 -15.67 40.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.978 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.627 179.488 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt . . . . . 0 C--O 1.234 0.254 0 CA-C-O 120.917 0.389 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.432 HD22 ' C ' ' B' ' 2' ' ' ASN . 0.4 OUTLIER -60.52 154.4 55.45 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.033 -179.265 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.77 -24.3 37.4 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 122.573 2.182 . . . . 0.0 112.031 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.09 -11.7 15.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.473 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.7 -28.57 63.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.09 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.06 -40.94 97.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.396 . . . . 0.0 110.376 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.46 -36.56 84.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.094 0.473 . . . . 0.0 110.538 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 33.3 mm -62.43 -42.46 95.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.732 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.4 m -61.16 -41.91 97.61 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.477 ' NH2' HD11 ' B' ' 14' ' ' LEU . 69.6 ttp85 -62.02 -42.19 98.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 t -56.45 -41.14 75.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.235 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -62.21 -42.51 99.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.141 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.7 -40.72 96.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.685 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.477 HD11 ' NH2' ' B' ' 10' ' ' ARG . 97.3 mt -63.61 -42.95 98.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.348 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.94 -39.45 93.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.181 0.515 . . . . 0.0 110.599 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.38 -35.4 79.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.485 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.84 -9.87 17.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.271 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 87.7 p -58.27 -26.46 62.99 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.732 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 92.1 p -85.34 -16.09 41.11 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.411 ' OG ' ' OD1' ' C' ' 2' ' ' ASN . 17.1 t . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.714 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.905 0.383 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 2' ' ' ASN . . . . . 0.44 HD22 ' C ' ' C' ' 2' ' ' ASN . 0.4 OUTLIER -60.82 154.4 58.7 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.065 -179.191 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.68 -24.28 36.63 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 122.532 2.154 . . . . 0.0 111.986 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.07 -11.4 13.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.332 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.88 -29.05 64.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.2 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.89 -40.63 96.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.957 0.408 . . . . 0.0 110.387 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -65.66 -36.73 84.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.086 0.47 . . . . 0.0 110.728 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.35 -42.32 95.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 92.8 m -61.15 -41.84 97.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.013 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.504 ' NH2' HD11 ' C' ' 14' ' ' LEU . 70.2 ttp85 -62.25 -41.78 98.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.988 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 t -56.75 -40.9 76.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 0.0 110.273 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.19 -42.77 99.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.197 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.52 -40.61 95.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.555 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' LEU . . . . . 0.504 HD11 ' NH2' ' C' ' 10' ' ' ARG . 97.1 mt -63.56 -42.69 98.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.39 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.42 -39.65 92.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.174 0.512 . . . . 0.0 110.6 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.19 -35.33 78.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.493 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.95 -9.62 16.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.097 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 88.2 p -58.33 -27.04 63.77 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.574 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 89.2 p -85.06 -15.49 43.84 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.948 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.817 179.587 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.985 0.421 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.429 ' H ' ' C ' ' C' ' 20' ' ' SER . 20.3 m120 -61.85 148.82 86.97 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.898 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.89 -19.19 58.52 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.581 2.187 . . . . 0.0 111.829 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.06 -12.48 51.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.414 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.42 -28.05 51.78 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.171 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.61 -39.09 92.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.084 0.468 . . . . 0.0 110.143 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -65.97 -38.63 89.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.193 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.486 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.8 mp -60.94 -42.2 91.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.912 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.5 m -59.88 -43.2 94.89 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -62.75 -38.74 91.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.204 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -54.89 -46.41 74.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.392 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.1 -41.46 98.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.391 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -64.4 -40.83 96.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.399 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.16 -42.21 99.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.754 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.72 -39.89 94.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.671 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.47 -36.53 82.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.504 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.445 ' O ' ' OG ' ' A' ' 20' ' ' SER . 97.5 m-20 -64.11 -9.28 15.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.369 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.5 p -57.54 -32.07 66.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.697 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -90.25 -12.3 38.34 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.977 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 17' ' ' ASP . 85.2 p . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.838 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.983 0.421 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.42 ' H ' ' C ' ' A' ' 20' ' ' SER . 20.8 m120 -61.96 149.13 86.74 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.926 -178.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.06 -19.37 57.47 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 122.546 2.164 . . . . 0.0 111.787 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.85 -12.45 48.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.386 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.39 -28.24 52.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.057 -178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.56 -38.92 91.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.065 0.459 . . . . 0.0 110.084 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -66.01 -38.57 88.79 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.243 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.489 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.8 mp -61.16 -42.37 93.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.09 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.9 m -59.81 -42.84 94.36 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.6 mtp85 -62.87 -38.72 91.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.067 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 t -54.96 -46.45 75.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.562 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.1 -41.7 98.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.322 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -64.17 -40.94 97.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.363 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.14 -42.39 99.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.746 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.54 -39.81 94.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.205 0.526 . . . . 0.0 110.559 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.37 -36.75 83.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.442 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ASP . . . . . 0.441 ' O ' ' OG ' ' B' ' 20' ' ' SER . 97.7 m-20 -63.98 -9.27 14.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.419 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 99.9 p -57.43 -31.91 66.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.698 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.0 m -90.11 -13.01 36.65 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.093 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' B' ' 17' ' ' ASP . 84.2 p . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.815 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.982 0.42 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 2' ' ' ASN . . . . . 0.436 ' H ' ' C ' ' B' ' 20' ' ' SER . 20.9 m120 -61.8 148.5 87.38 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.917 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.54 -19.5 60.53 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.539 2.159 . . . . 0.0 111.872 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.96 -12.25 47.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.517 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.58 -28.33 54.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.159 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.33 -38.74 90.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.108 0.48 . . . . 0.0 110.09 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -66.22 -38.78 88.78 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.189 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' ILE . . . . . 0.489 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.8 mp -60.89 -42.02 91.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.873 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -60.13 -42.98 95.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.242 0.544 . . . . 0.0 109.702 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 60.7 mtp85 -62.92 -38.75 92.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.121 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 t -54.99 -46.51 75.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.521 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.82 -41.35 97.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.334 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -64.59 -40.62 95.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.327 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.27 -42.28 99.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.83 -39.9 94.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.667 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.55 -36.37 82.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.447 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' ASP . . . . . 0.438 ' O ' ' OG ' ' C' ' 20' ' ' SER . 97.2 m-20 -64.08 -9.26 15.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.363 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 97.3 p -57.44 -32.15 66.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.926 0.394 . . . . 0.0 110.611 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -89.79 -12.97 37.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.981 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' C' ' 17' ' ' ASP . 82.8 p . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.049 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 C--O 1.236 0.343 0 CA-C-O 121.058 0.456 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.425 ' H ' ' C ' ' C' ' 20' ' ' SER . 6.7 t-20 -62.21 137.28 95.81 Favored Pre-proline 0 CA--C 1.544 0.749 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.435 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.43 -23.71 40.02 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.612 2.208 . . . . 0.0 112.122 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.27 -15.09 45.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.58 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.47 -26.72 63.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.293 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.32 -37.77 84.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.3 -38.92 91.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.413 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.613 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -62.57 -41.03 90.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.865 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.1 m -59.61 -41.52 90.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.822 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.9 mtp85 -62.5 -40.07 95.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.444 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.0 m -59.43 -41.94 90.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.376 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.85 -45.92 90.92 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.104 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.97 -39.75 94.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.39 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.9 mt -62.22 -41.76 98.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.804 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.59 -40.83 97.94 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.05 0.452 . . . . 0.0 110.485 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.17 -37.58 87.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.582 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.97 -10.33 28.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.413 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.2 p -58.15 -31.88 67.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.767 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -83.77 -17.64 40.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.147 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.756 179.449 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.0 0.429 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -61.9 137.66 95.41 Favored Pre-proline 0 CA--C 1.543 0.701 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.397 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.48 -23.85 41.14 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 122.584 2.189 . . . . 0.0 112.161 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.02 -15.14 42.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.552 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.7 -26.69 64.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.163 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.16 -37.63 83.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.459 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.7 -39.36 93.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.67 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.592 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.7 mp -62.21 -40.66 88.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.109 0.48 . . . . 0.0 109.813 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 97.4 m -59.83 -41.65 91.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.816 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -62.25 -39.93 94.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.447 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 m -59.43 -42.22 91.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.51 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.62 -45.82 90.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.154 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.19 -39.88 94.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.457 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 25.0 mt -62.04 -41.92 98.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.814 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.49 -40.7 97.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.08 0.467 . . . . 0.0 110.37 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -63.08 -37.69 88.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.489 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.1 -10.38 30.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.567 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 90.9 p -58.25 -32.02 67.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.782 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -82.9 -18.4 40.32 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.15 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.44 ' C ' ' H ' ' C' ' 2' ' ' ASN . 5.5 t . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.498 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp . . . . . 0 CA--C 1.516 -0.358 0 CA-C-O 120.964 0.411 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 2' ' ' ASN . . . . . 0.44 ' H ' ' C ' ' B' ' 20' ' ' SER . 6.8 t-20 -62.25 137.21 95.85 Favored Pre-proline 0 N--CA 1.445 -0.72 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.565 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.72 -23.86 43.23 Favored 'Trans proline' 0 N--CA 1.5 1.879 0 C-N-CA 122.565 2.176 . . . . 0.0 112.167 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.99 -14.97 40.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.475 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.84 -26.78 64.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.276 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.17 -37.51 83.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.47 -39.41 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 0.0 110.493 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 8' ' ' ILE . . . . . 0.594 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.7 mp -62.04 -41.05 89.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.134 0.493 . . . . 0.0 109.936 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 96.2 m -59.74 -41.5 91.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.769 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -62.35 -39.82 94.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.386 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 23.1 m -59.68 -42.5 93.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.461 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.5 -45.63 91.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.077 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.1 -39.81 94.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.449 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.05 -42.26 99.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.801 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.34 -40.85 98.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.097 0.475 . . . . 0.0 110.475 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.03 -37.71 88.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.612 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.96 -10.24 27.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.425 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 95.5 p -58.01 -31.99 67.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 72.7 m -83.16 -18.07 40.7 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.171 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 2' ' ' ASN . 6.4 t . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.814 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' C' ' 20' ' ' SER . 35.5 p-10 -60.87 146.87 86.27 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.603 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.43 -24.1 50.01 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.676 2.251 . . . . 0.0 112.45 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.403 ' OE2' ' N ' ' A' ' 4' ' ' GLU . 57.9 mp0 -64.12 -12.92 44.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.579 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.29 -31.75 67.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.304 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.72 -40.31 94.62 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.074 0.464 . . . . 0.0 110.608 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -64.76 -35.71 81.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.17 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.5 mm -61.19 -39.52 82.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.769 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.9 m -59.76 -41.39 90.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.801 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -61.86 -39.6 92.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.403 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.0 t -55.25 -45.02 76.08 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.57 -41.34 98.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.294 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -62.83 -39.96 95.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.355 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.6 mt -62.21 -42.33 99.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.528 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 15' ' ' LEU . 98.0 mt -65.03 -40.29 94.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.483 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.53 -36.78 83.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.352 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.47 -9.33 17.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.367 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.6 t -56.66 -33.07 66.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.456 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.1 p -78.69 -13.44 59.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.422 ' C ' ' H ' ' B' ' 2' ' ' ASN . 20.6 m . . . . . 0 C--N 1.32 -0.703 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.623 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.909 0.385 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 20' ' ' SER . 35.7 p-10 -60.83 146.77 86.21 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.651 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.26 -23.81 51.61 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.665 2.243 . . . . 0.0 112.389 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.438 ' OE2' ' N ' ' B' ' 4' ' ' GLU . 57.8 mp0 -64.25 -12.91 45.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.597 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.4 -31.88 68.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.3 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.61 -40.05 93.44 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.104 0.478 . . . . 0.0 110.605 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -64.97 -35.98 82.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.081 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 48.6 mm -61.09 -39.0 80.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.683 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.5 m -60.17 -41.54 93.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.823 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -61.95 -39.09 90.91 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.342 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 22.2 t -56.09 -44.46 79.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.382 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.06 -40.75 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.24 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.18 -40.13 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.199 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 17.3 mt -62.15 -42.59 99.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.457 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.79 -40.23 94.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.405 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.75 -37.5 86.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.437 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.14 -9.18 15.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.163 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.6 t -56.56 -33.04 65.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.473 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.1 p -78.45 -13.96 59.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.42 ' C ' ' H ' ' C' ' 2' ' ' ASN . 20.3 m . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.597 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.233 0.237 0 CA-C-O 120.844 0.354 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 2' ' ' ASN . . . . . 0.42 ' H ' ' C ' ' B' ' 20' ' ' SER . 35.9 p-10 -60.89 146.91 86.31 Favored Pre-proline 0 N--CA 1.451 -0.382 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.695 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.48 -23.48 50.4 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.666 2.244 . . . . 0.0 112.382 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' GLU . . . . . 0.458 ' OE2' ' N ' ' C' ' 4' ' ' GLU . 57.2 mp0 -64.95 -12.85 54.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.621 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.48 -31.82 68.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.173 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.57 -40.26 94.09 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.09 0.472 . . . . 0.0 110.52 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -64.88 -36.0 82.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.193 0.521 . . . . 0.0 110.207 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 49.3 mm -61.07 -38.91 80.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.886 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 85.3 m -60.21 -41.39 92.9 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -61.79 -39.7 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.316 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 23.7 t -55.25 -44.74 75.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.919 0.39 . . . . 0.0 110.343 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.7 -40.83 98.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.238 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.06 -40.4 97.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.208 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.6 mt -62.06 -42.57 99.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.537 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.67 -40.28 95.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.472 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.7 -37.32 86.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.455 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.8 -9.05 12.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.244 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 35.2 t -56.94 -32.8 66.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.601 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 87.2 p -78.41 -13.91 59.63 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 2' ' ' ASN . 20.4 m . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.549 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.762 0.315 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -63.79 151.58 88.63 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.558 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.24 -20.33 69.71 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 C-N-CA 122.921 2.414 . . . . 0.0 111.984 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -65.08 -12.24 48.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.275 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.16 -25.08 61.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.209 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.39 -37.61 81.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.399 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -64.08 -37.41 87.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.572 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.564 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.6 mp -61.59 -44.74 99.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.943 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.2 m -61.18 -41.69 97.24 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -62.65 -40.06 95.84 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 t -54.61 -48.14 72.56 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.285 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.57 -43.48 98.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.318 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -62.28 -42.09 99.05 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.419 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.1 mt -62.78 -41.21 99.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.216 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.52 -39.51 91.9 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.113 0.483 . . . . 0.0 110.591 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.06 -36.21 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.382 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.88 -9.0 12.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.506 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.2 t -56.08 -33.51 65.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.541 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.4 p -78.91 -10.27 59.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.711 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.647 179.466 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.797 0.332 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 37.9 p-10 -63.5 152.19 86.14 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.588 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.44 -19.9 68.84 Favored 'Trans proline' 0 C--N 1.304 -1.813 0 C-N-CA 122.849 2.366 . . . . 0.0 111.997 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.05 -13.06 57.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.33 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.72 -25.02 59.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.177 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.45 -37.96 82.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.279 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -63.78 -37.82 88.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.538 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.56 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.6 mp -61.42 -44.53 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.916 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 92.1 m -61.4 -41.74 97.62 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -62.43 -39.79 94.47 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 7.2 t -54.99 -48.2 73.62 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.292 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.49 -43.57 98.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.266 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -62.24 -42.02 98.94 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.403 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.62 -41.51 99.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.348 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.29 -39.62 92.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.134 0.492 . . . . 0.0 110.571 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.1 -36.12 80.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.79 -8.97 12.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.402 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 39.6 t -56.28 -33.87 65.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.543 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 91.6 p -78.58 -10.55 59.77 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.735 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.652 179.401 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.889 0.376 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -63.61 151.78 87.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.575 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.22 -19.81 67.99 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.862 2.375 . . . . 0.0 112.016 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.38 -12.56 53.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.155 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.94 -25.23 60.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.222 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.42 -37.26 80.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.462 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -64.49 -37.98 89.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.634 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 8' ' ' ILE . . . . . 0.568 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.5 mp -61.37 -44.39 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 81.2 m -61.2 -42.01 97.83 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -62.61 -39.55 94.14 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 7.6 t -54.88 -48.09 73.44 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.842 0.353 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.75 -43.37 98.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.188 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.44 -42.15 99.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.276 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 mt -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.445 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.19 -39.3 92.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.621 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.98 -36.95 82.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.467 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.12 -8.76 8.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.403 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 42.1 t -56.16 -33.82 65.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.559 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 92.0 p -78.84 -11.18 59.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.714 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.64 179.512 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 120.997 0.427 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.478 ' N ' ' OD1' ' A' ' 2' ' ' ASN . 10.7 p-10 -60.14 150.82 69.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.068 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.439 ' O ' ' OE1' ' A' ' 6' ' ' GLU . 36.9 Cg_endo -64.44 -19.1 65.0 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.531 2.154 . . . . 0.0 111.931 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.57 -11.96 40.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.503 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.52 -31.92 66.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.125 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' A' ' 3' ' ' PRO . 1.9 mp0 -61.73 -39.63 92.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 110.107 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -64.47 -38.78 92.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.007 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.543 HG21 ' HB3' ' C' ' 18' ' ' SER . 37.4 mm -62.63 -42.2 95.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.2 m -60.73 -42.8 98.02 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -63.91 -38.6 91.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.194 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 t -53.89 -48.37 70.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.116 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.0 -42.1 97.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.14 0.495 . . . . 0.0 110.735 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.43 -38.75 92.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.709 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.03 -41.75 98.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.597 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.81 -39.14 93.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.989 0.423 . . . . 0.0 110.5 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.92 -37.26 84.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.673 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.52 -10.72 27.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.43 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.563 ' HB3' HG21 ' B' ' 8' ' ' ILE . 93.6 p -59.73 -21.81 61.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.937 0.398 . . . . 0.0 110.907 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m -81.17 -17.12 50.84 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.419 ' C ' ' H ' ' B' ' 2' ' ' ASN . 50.4 m . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.79 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.98 0.419 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' B' ' 2' ' ' ASN . 10.3 p-10 -60.07 150.9 68.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.083 -178.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 3' ' ' PRO . . . . . 0.417 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 37.0 Cg_endo -64.31 -18.89 64.8 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.555 2.17 . . . . 0.0 111.935 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.92 -12.2 46.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.553 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.63 -31.79 66.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.042 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.417 ' OE1' ' O ' ' B' ' 3' ' ' PRO . 1.7 mp0 -61.71 -39.77 92.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.885 0.374 . . . . 0.0 110.093 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -64.48 -38.81 92.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.989 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.563 HG21 ' HB3' ' A' ' 18' ' ' SER . 37.7 mm -62.7 -42.03 94.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 -178.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 78.3 m -60.54 -42.99 97.63 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -63.4 -38.78 92.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.451 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 18.8 t -54.16 -48.4 70.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.352 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -63.87 -41.99 97.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.112 0.482 . . . . 0.0 110.584 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -64.41 -39.03 93.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.78 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 25.9 mt -61.88 -41.9 98.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.595 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.68 -39.2 93.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.054 0.454 . . . . 0.0 110.379 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.02 -36.79 82.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.618 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.98 -10.66 31.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.585 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.575 ' HB3' HG21 ' C' ' 8' ' ' ILE . 92.1 p -59.63 -22.04 61.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.903 0.382 . . . . 0.0 110.998 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 66.2 m -81.0 -17.22 51.1 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.803 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.425 ' C ' ' H ' ' C' ' 2' ' ' ASN . 40.3 m . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.688 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.955 0.407 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 2' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' C' ' 2' ' ' ASN . 11.0 p-10 -60.1 150.91 68.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.142 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 3' ' ' PRO . . . . . 0.428 ' O ' ' OE1' ' C' ' 6' ' ' GLU . 36.6 Cg_endo -64.32 -19.12 65.29 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.51 2.14 . . . . 0.0 112.009 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.64 -11.94 40.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.562 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.62 -32.13 66.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.121 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 6' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' C' ' 3' ' ' PRO . 1.7 mp0 -61.71 -39.48 91.64 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.114 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -64.67 -38.88 92.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.074 0.464 . . . . 0.0 110.077 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' ILE . . . . . 0.575 HG21 ' HB3' ' B' ' 18' ' ' SER . 37.3 mm -62.55 -42.04 94.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -178.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 80.4 m -60.68 -42.81 97.85 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -63.71 -38.62 91.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.245 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 17.3 t -53.99 -48.27 70.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.204 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -64.18 -42.01 96.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.977 0.418 . . . . 0.0 110.774 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.6 -38.77 92.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.83 -41.95 98.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.648 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.87 -39.16 93.1 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.057 0.456 . . . . 0.0 110.442 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.98 -36.91 82.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.632 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.66 -10.84 29.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.476 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' SER . . . . . 0.543 ' HB3' HG21 ' A' ' 8' ' ' ILE . 93.0 p -59.77 -21.58 60.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.953 0.406 . . . . 0.0 110.925 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 72.5 m -80.95 -17.52 50.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.441 ' C ' ' H ' ' A' ' 2' ' ' ASN . 39.8 m . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.847 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 N--CA 1.466 0.348 0 CA-C-O 121.171 0.51 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.9 155.03 73.85 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.139 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.19 -23.97 39.22 Favored 'Trans proline' 0 N--CA 1.501 1.933 0 C-N-CA 122.482 2.121 . . . . 0.0 111.968 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.55 -13.25 28.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.414 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.34 -29.16 65.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.33 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.93 -40.79 96.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.126 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.71 -38.36 88.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.89 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.7 mm -62.64 -42.02 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.819 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.5 m -60.66 -42.65 97.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.176 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.529 ' NH2' HD11 ' A' ' 14' ' ' LEU . 64.3 ttp85 -62.43 -41.21 98.55 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.7 t -60.03 -41.2 91.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.392 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.96 -41.65 96.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.069 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -62.43 -39.82 94.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.259 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.529 HD11 ' NH2' ' A' ' 10' ' ' ARG . 90.9 mt -63.37 -41.23 98.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.036 0.446 . . . . 0.0 110.232 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.54 -39.87 94.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.192 0.52 . . . . 0.0 110.406 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.58 -33.06 74.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -62.4 -8.07 5.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.193 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.0 t -56.3 -34.01 66.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 64.2 m -81.16 -10.79 59.58 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.747 179.52 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 121.192 0.52 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.65 155.06 71.51 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.124 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.02 -24.22 38.9 Favored 'Trans proline' 0 N--CA 1.5 1.903 0 C-N-CA 122.29 1.993 . . . . 0.0 112.052 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.61 -13.35 30.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.375 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.23 -29.3 65.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.289 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.0 -41.0 97.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 0.0 110.262 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -65.58 -38.35 89.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.062 0.458 . . . . 0.0 109.903 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 38.1 mm -62.62 -42.06 94.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.928 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 87.4 m -60.41 -42.56 96.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.075 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.532 ' NH2' HD11 ' B' ' 14' ' ' LEU . 64.5 ttp85 -62.15 -41.65 98.49 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 37.0 t -59.87 -41.13 90.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.592 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.04 -41.74 97.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.136 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -62.3 -39.82 94.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.208 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.532 HD11 ' NH2' ' B' ' 10' ' ' ARG . 89.8 mt -63.24 -41.52 99.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.07 0.462 . . . . 0.0 110.192 179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.53 -39.48 93.83 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.147 0.498 . . . . 0.0 110.409 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.62 -33.25 74.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.776 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.55 -8.12 5.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.187 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.6 t -56.13 -33.49 65.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.955 0.407 . . . . 0.0 110.399 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.0 m -81.04 -12.26 59.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.787 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.523 179.448 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 62.8 mttp . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 121.086 0.47 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.67 154.87 72.57 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.221 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.0 -23.85 37.01 Favored 'Trans proline' 0 N--CA 1.501 1.925 0 C-N-CA 122.327 2.018 . . . . 0.0 112.059 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -62.74 -13.29 31.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.455 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.35 -29.3 65.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.345 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.83 -40.91 96.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.992 0.425 . . . . 0.0 110.267 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -65.46 -38.31 89.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.028 0.442 . . . . 0.0 109.846 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 37.2 mm -62.59 -42.05 94.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.861 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 82.0 m -60.6 -42.61 97.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.16 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.545 ' NH2' HD11 ' C' ' 14' ' ' LEU . 64.7 ttp85 -62.31 -41.65 98.7 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 34.9 t -59.83 -40.91 90.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.477 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -61.24 -41.38 96.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.123 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -62.59 -39.88 95.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.235 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' LEU . . . . . 0.545 HD11 ' NH2' ' C' ' 10' ' ' ARG . 89.7 mt -63.35 -41.32 98.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.08 0.467 . . . . 0.0 110.261 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.63 -39.79 94.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.258 0.552 . . . . 0.0 110.55 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.58 -33.29 74.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.68 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.46 -7.96 5.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.144 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 38.5 t -56.25 -33.84 65.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.535 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 67.8 m -80.71 -12.13 59.52 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.819 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.535 179.402 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.017 0.437 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.1 p-10 -61.18 149.96 80.76 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.546 -178.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -63.19 -24.23 72.68 Favored 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 122.701 2.267 . . . . 0.0 112.376 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 4' ' ' GLU . 56.2 mp0 -64.11 -13.06 45.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.652 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.14 -25.42 61.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.223 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -60.42 -35.89 76.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.018 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.461 ' CD ' HH11 ' A' ' 10' ' ' ARG . 48.8 tp10 -62.23 -39.96 94.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.992 0.425 . . . . 0.0 110.455 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.551 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -61.36 -42.41 93.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 86.7 m -60.56 -42.8 97.33 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.461 HH11 ' CD ' ' A' ' 7' ' ' GLU . 59.7 ttp180 -63.24 -41.27 99.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.095 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.4 t -55.07 -43.67 74.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.1 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.81 -40.12 96.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.248 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.63 -41.6 97.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.197 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.4 mt -62.74 -41.71 99.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.005 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.95 -39.71 94.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.508 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.24 -36.66 82.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.459 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.67 -10.68 28.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.474 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -59.11 -24.43 62.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.94 0.4 . . . . 0.0 110.626 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.6 t -83.98 -18.32 37.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.986 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.405 ' C ' ' H ' ' B' ' 2' ' ' ASN . 61.1 p . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.805 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.949 0.404 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.405 ' H ' ' C ' ' A' ' 20' ' ' SER . 44.3 p-10 -61.24 149.99 80.96 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.615 -178.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -63.66 -23.04 70.05 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.461 ' OE2' ' N ' ' B' ' 4' ' ' GLU . 54.9 mp0 -65.14 -12.79 54.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.681 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.36 -25.44 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.137 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -60.44 -35.73 76.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.096 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.462 ' CD ' HH11 ' B' ' 10' ' ' ARG . 49.3 tp10 -62.45 -39.51 93.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.921 0.391 . . . . 0.0 110.398 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.562 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.5 mp -61.7 -42.75 95.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 88.0 m -60.55 -42.74 97.18 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.462 HH11 ' CD ' ' B' ' 7' ' ' GLU . 59.5 ttp180 -63.09 -41.71 99.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.167 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 13.2 t -54.99 -42.72 72.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.263 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.52 -39.89 95.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.117 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.51 -41.79 97.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.217 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 mt -62.74 -41.61 99.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.26 -39.64 94.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.452 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.5 -36.0 81.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.334 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.37 -10.46 33.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.608 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 95.9 p -59.11 -25.75 64.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.741 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.1 t -82.37 -18.63 41.38 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.01 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.416 ' C ' ' H ' ' C' ' 2' ' ' ASN . 76.7 p . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.707 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.914 0.388 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 2' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' B' ' 20' ' ' SER . 46.3 p-10 -61.46 149.77 82.65 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.671 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.54 -23.52 70.57 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 4' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' C' ' 4' ' ' GLU . 55.7 mp0 -64.5 -12.9 48.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.759 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.06 -25.09 60.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.189 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -60.67 -35.64 76.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.106 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 7' ' ' GLU . . . . . 0.471 ' CD ' HH11 ' C' ' 10' ' ' ARG . 49.4 tp10 -62.67 -39.7 94.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.003 0.43 . . . . 0.0 110.306 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 8' ' ' ILE . . . . . 0.563 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.5 mp -61.74 -42.54 94.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 93.5 m -60.68 -43.0 98.23 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.471 HH11 ' CD ' ' C' ' 7' ' ' GLU . 59.2 ttp180 -62.79 -41.45 99.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.051 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 t -54.94 -43.2 73.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.297 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.36 -39.83 95.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.088 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.58 -41.98 98.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.263 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.61 -41.5 99.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.3 -39.76 94.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.584 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.46 -36.18 81.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.32 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.84 -10.88 31.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.395 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 94.4 p -59.07 -24.88 63.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.995 0.426 . . . . 0.0 110.814 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 21.2 t -83.33 -18.23 39.65 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.036 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 71.1 p . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.049 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.5 mttp . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.966 0.412 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.44 ' H ' ' C ' ' C' ' 20' ' ' SER . 19.3 p-10 -61.24 149.99 80.94 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.859 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.529 ' O ' ' OE2' ' A' ' 6' ' ' GLU . 33.0 Cg_endo -64.43 -21.39 66.39 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 122.679 2.253 . . . . 0.0 111.847 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -65.13 -12.49 51.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.204 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.69 -36.99 75.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.178 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.529 ' OE2' ' O ' ' A' ' 3' ' ' PRO . 15.8 mp0 -61.52 -37.63 84.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.892 0.377 . . . . 0.0 110.381 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.465 ' CD ' HH11 ' A' ' 10' ' ' ARG . 49.9 tp10 -63.24 -38.12 89.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.057 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.0 mm -62.19 -41.72 92.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.742 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.0 m -60.36 -42.37 95.61 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.465 HH11 ' CD ' ' A' ' 7' ' ' GLU . 57.4 ttp180 -62.86 -41.44 99.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.339 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.5 t -56.11 -44.07 78.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.915 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -61.9 -41.9 98.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.351 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -60.8 -40.34 92.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.182 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.85 -41.56 97.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.489 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.68 -42.14 95.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.986 0.422 . . . . 0.0 110.517 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.34 -38.53 91.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.629 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.36 -10.28 31.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.315 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.0 p -59.09 -21.66 59.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.697 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.9 t -80.8 -17.43 50.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.893 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.437 ' C ' ' H ' ' B' ' 2' ' ' ASN . 23.6 t . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.611 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.7 mttp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.855 0.36 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' A' ' 20' ' ' SER . 17.3 p-10 -61.2 149.74 81.53 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.82 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 3' ' ' PRO . . . . . 0.497 ' O ' ' OE2' ' B' ' 6' ' ' GLU . 32.7 Cg_endo -64.14 -21.79 67.6 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 122.643 2.229 . . . . 0.0 111.956 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.8 -12.77 51.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.209 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.46 -36.85 74.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.127 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.497 ' OE2' ' O ' ' B' ' 3' ' ' PRO . 13.6 mp0 -61.54 -37.27 83.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 110.451 178.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.508 ' CD ' HH11 ' B' ' 10' ' ' ARG . 50.0 tp10 -63.74 -38.34 90.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.031 0.443 . . . . 0.0 110.05 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 38.1 mm -62.0 -41.51 91.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.718 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 94.6 m -60.54 -42.5 96.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.508 HH11 ' CD ' ' B' ' 7' ' ' GLU . 57.0 ttp180 -62.45 -42.24 99.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.369 179.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 35.5 t -55.75 -43.55 76.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.251 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -62.08 -41.27 98.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.315 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -61.43 -40.07 93.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.219 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.02 -41.81 98.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.606 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.67 -41.93 95.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.028 0.442 . . . . 0.0 110.526 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.71 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.618 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -65.82 -9.97 33.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.215 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 91.1 p -59.28 -21.72 60.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.681 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 37.1 t -80.69 -17.38 51.31 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.895 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.439 ' C ' ' H ' ' C' ' 2' ' ' ASN . 23.0 t . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.622 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.886 0.374 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 2' ' ' ASN . . . . . 0.439 ' H ' ' C ' ' B' ' 20' ' ' SER . 16.6 p-10 -61.57 149.89 82.82 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.76 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 3' ' ' PRO . . . . . 0.52 ' O ' ' OE2' ' C' ' 6' ' ' GLU . 34.1 Cg_endo -64.47 -21.72 66.0 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 122.685 2.257 . . . . 0.0 111.929 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -64.73 -12.52 47.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.187 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.74 -36.99 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.181 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 6' ' ' GLU . . . . . 0.52 ' OE2' ' O ' ' C' ' 3' ' ' PRO . 15.4 mp0 -61.51 -37.34 83.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 110.402 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 7' ' ' GLU . . . . . 0.498 ' CD ' HH11 ' C' ' 10' ' ' ARG . 50.3 tp10 -63.65 -38.16 90.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.12 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 38.7 mm -62.07 -41.43 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -60.7 -42.5 97.32 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.498 HH11 ' CD ' ' C' ' 7' ' ' GLU . 57.4 ttp180 -62.6 -42.01 99.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.951 0.405 . . . . 0.0 110.293 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 35.5 t -55.94 -43.68 77.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.221 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.29 -41.24 98.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.281 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -61.49 -39.8 92.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.164 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.11 -41.76 98.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.505 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.78 -41.89 95.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.954 0.407 . . . . 0.0 110.472 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.82 -38.07 89.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.743 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.89 -10.03 34.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.362 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 90.8 p -59.2 -21.7 59.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.601 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 36.7 t -80.24 -17.96 50.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.883 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 2' ' ' ASN . 23.8 t . . . . . 0 C--N 1.32 -0.676 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.548 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt . . . . . 0 CA--C 1.516 -0.357 0 CA-C-O 121.106 0.479 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 -66.99 154.73 91.86 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.069 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -56.44 -21.1 35.9 Favored 'Trans proline' 0 N--CA 1.502 1.975 0 C-N-CA 122.313 2.009 . . . . 0.0 112.063 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.1 -15.81 47.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.515 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.75 -26.72 64.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.383 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.21 -38.11 85.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.306 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.521 ' CD ' HH11 ' A' ' 10' ' ' ARG . 49.7 tp10 -63.04 -38.79 92.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.307 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.538 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -61.44 -42.43 93.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.847 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.4 m -60.48 -43.42 96.98 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.896 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.521 HH11 ' CD ' ' A' ' 7' ' ' GLU . 60.2 ttp180 -63.49 -42.16 98.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.078 0.466 . . . . 0.0 110.501 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -56.7 -44.5 81.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.11 -42.3 98.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.374 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.63 -42.04 96.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.283 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.81 -42.07 99.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.776 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.93 -40.13 94.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.192 0.52 . . . . 0.0 110.451 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.6 -34.86 77.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.579 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.37 -9.33 11.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.411 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.4 m -57.61 -33.62 68.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.64 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -79.29 -16.1 56.92 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.669 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.476 179.746 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt . . . . . 0 CA--C 1.517 -0.32 0 CA-C-O 121.118 0.485 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -66.89 154.75 91.52 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.206 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -56.46 -21.29 36.93 Favored 'Trans proline' 0 N--CA 1.502 1.995 0 C-N-CA 122.373 2.049 . . . . 0.0 111.99 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.94 -15.87 46.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.87 -26.82 64.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.322 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.03 -38.07 84.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.394 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.523 ' CD ' HH11 ' B' ' 10' ' ' ARG . 49.7 tp10 -62.97 -38.82 92.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.903 0.382 . . . . 0.0 110.372 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.538 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.4 mp -61.63 -42.39 93.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.803 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 90.2 m -60.49 -43.44 96.99 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.79 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.523 HH11 ' CD ' ' B' ' 7' ' ' GLU . 60.6 ttp180 -63.77 -41.97 97.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.466 178.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 16.0 t -56.77 -44.44 81.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.814 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.32 -42.37 98.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.276 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.49 -41.87 95.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.139 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.8 -42.01 99.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.84 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.93 -39.98 94.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.182 0.515 . . . . 0.0 110.596 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.81 -34.64 77.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.469 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.25 -9.56 12.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.386 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 65.2 m -57.39 -33.6 68.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.122 0.486 . . . . 0.0 110.515 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -79.35 -16.04 56.93 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.476 179.721 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt . . . . . 0 CA--C 1.516 -0.361 0 CA-C-O 121.088 0.471 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -66.98 154.71 91.86 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.11 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.47 -21.3 37.05 Favored 'Trans proline' 0 N--CA 1.501 1.967 0 C-N-CA 122.393 2.062 . . . . 0.0 112.137 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.86 -15.77 44.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.537 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.81 -26.72 64.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.27 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.15 -38.23 85.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.444 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 7' ' ' GLU . . . . . 0.521 ' CD ' HH11 ' C' ' 10' ' ' ARG . 49.9 tp10 -63.07 -38.7 92.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.863 0.363 . . . . 0.0 110.277 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 8' ' ' ILE . . . . . 0.539 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.4 mp -61.68 -42.44 94.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.865 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 93.0 m -60.37 -43.48 96.54 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.857 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.521 HH11 ' CD ' ' C' ' 7' ' ' GLU . 60.4 ttp180 -63.58 -42.11 98.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.042 0.449 . . . . 0.0 110.318 178.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 11.1 t -56.57 -44.78 81.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.06 -42.29 98.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.329 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -60.54 -42.04 95.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.304 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.81 -42.02 99.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.749 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.79 -40.15 94.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.204 0.526 . . . . 0.0 110.527 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.62 -34.92 78.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.618 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.31 -9.23 10.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.448 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 68.6 m -57.66 -33.82 68.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -79.36 -16.24 56.6 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.794 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.609 179.826 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.097 0.475 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -65.48 153.68 89.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.95 -178.803 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.46 -25.51 58.41 Favored 'Trans proline' 0 N--CA 1.499 1.796 0 C-N-CA 122.458 2.105 . . . . 0.0 112.237 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.03 -19.99 63.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.506 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.38 -32.7 68.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.257 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.59 -36.3 80.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.175 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.518 ' CD ' HH11 ' A' ' 10' ' ' ARG . 48.2 tp10 -62.31 -40.35 96.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.944 0.402 . . . . 0.0 110.147 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.556 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -61.51 -43.37 96.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.064 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.3 m -61.04 -42.54 98.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.147 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.518 HH11 ' CD ' ' A' ' 7' ' ' GLU . 58.3 ttp180 -60.38 -35.3 75.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.113 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.461 ' O ' HD23 ' A' ' 15' ' ' LEU . 9.9 t -52.22 -41.67 62.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.369 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.36 -38.34 83.53 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.561 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.51 -38.96 89.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.164 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.36 -43.16 99.46 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.699 -179.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.9 mm? -63.07 -42.72 99.74 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.375 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.14 -39.88 93.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.248 0.547 . . . . 0.0 110.408 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -68.52 -11.56 60.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.396 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.0 p -58.64 -26.46 63.77 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.39 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.8 p -85.43 -14.17 47.04 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.159 0.504 . . . . 0.0 110.948 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.7 t . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.786 179.757 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 121.033 0.444 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' B' ' 2' ' ' ASN . 0.0 OUTLIER -65.54 153.61 90.02 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.902 -178.78 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -56.68 -25.44 60.07 Favored 'Trans proline' 0 N--CA 1.499 1.8 0 C-N-CA 122.502 2.134 . . . . 0.0 112.129 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.1 -19.83 63.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.58 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.46 -32.63 68.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.394 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.44 -35.95 79.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.187 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.508 ' CD ' HH11 ' B' ' 10' ' ' ARG . 48.2 tp10 -62.41 -40.13 95.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.562 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.7 mp -61.87 -43.48 97.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.348 -0.387 . . . . 0.0 109.987 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -60.9 -42.56 98.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.193 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.508 HH11 ' CD ' ' B' ' 7' ' ' GLU . 57.9 ttp180 -60.48 -35.54 76.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.993 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' CYS . . . . . 0.464 ' O ' HD23 ' B' ' 15' ' ' LEU . 10.8 t -52.08 -41.51 62.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.368 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.4 -38.34 83.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.823 0.344 . . . . 0.0 110.514 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.37 -39.15 89.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.214 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.17 -43.41 98.9 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.671 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' B' ' 15' ' ' LEU . 3.9 mm? -63.05 -42.73 99.8 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.327 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -65.24 -39.72 93.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.246 0.546 . . . . 0.0 110.315 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.44 -11.5 59.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.264 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' B' ' 15' ' ' LEU . 82.7 p -58.75 -26.81 64.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.427 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.3 p -85.45 -14.47 46.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.942 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.77 179.7 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 121.095 0.474 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 2' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' C' ' 2' ' ' ASN . 0.0 OUTLIER -65.34 153.58 89.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.93 -178.867 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.56 -25.48 59.17 Favored 'Trans proline' 0 N--CA 1.499 1.835 0 C-N-CA 122.582 2.188 . . . . 0.0 112.128 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.06 -19.53 63.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.46 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.0 69.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.191 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.44 -36.72 81.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.161 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 7' ' ' GLU . . . . . 0.519 ' OE2' ' NH1' ' C' ' 10' ' ' ARG . 47.7 tp10 -62.02 -40.44 95.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.119 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 8' ' ' ILE . . . . . 0.567 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.7 mp -61.55 -43.28 96.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.014 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.8 m -61.08 -42.52 98.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.319 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.519 ' NH1' ' OE2' ' C' ' 7' ' ' GLU . 58.2 ttp180 -60.49 -35.3 75.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.027 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 11' ' ' CYS . . . . . 0.46 ' O ' HD23 ' C' ' 15' ' ' LEU . 9.5 t -52.24 -41.26 62.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.402 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.47 -38.01 82.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.813 0.339 . . . . 0.0 110.465 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.0 -39.01 90.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.157 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.2 -43.3 99.15 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.656 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.484 ' N ' HD22 ' C' ' 15' ' ' LEU . 4.0 mm? -63.08 -42.79 99.72 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.488 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.1 -39.62 93.39 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.323 0.582 . . . . 0.0 110.482 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -68.91 -11.33 60.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.304 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 84.2 p -58.5 -26.23 63.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.346 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 83.7 p -85.89 -14.65 44.21 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.899 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.724 179.737 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.944 0.402 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 37.6 p30 -61.58 149.61 83.67 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.887 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.39 -20.67 66.53 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.706 2.271 . . . . 0.0 112.048 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.48 -14.33 56.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.392 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.95 -25.6 63.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.364 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -60.56 -36.8 79.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.454 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.403 ' OE1' ' NH1' ' A' ' 10' ' ' ARG . 47.3 tp10 -62.58 -39.47 93.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.402 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.635 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.6 mp -61.92 -42.54 95.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.966 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.9 m -61.03 -42.13 97.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.885 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.403 ' NH1' ' OE1' ' A' ' 7' ' ' GLU . 58.0 ttp180 -62.58 -41.25 98.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.097 0.475 . . . . 0.0 110.026 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.49 -40.36 91.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.409 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -59.9 -43.29 94.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.865 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.1 -39.74 95.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.056 0.455 . . . . 0.0 110.33 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.42 -41.92 99.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.916 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.17 -42.4 99.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.268 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.06 -40.08 75.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.409 0.623 . . . . 0.0 110.626 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -69.49 -9.87 55.66 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.243 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 84.8 p -58.85 -21.72 57.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.408 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.4 m -82.64 -11.47 58.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.783 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.658 179.711 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.76 0.314 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 35.0 p30 -61.31 149.66 82.32 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.044 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.85 -20.35 64.55 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.671 2.247 . . . . 0.0 112.018 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -64.49 -14.38 56.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.83 -25.57 63.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.494 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -60.57 -36.88 79.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.383 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.58 -38.96 92.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.246 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.64 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.6 mp -62.22 -42.42 95.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.984 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 90.8 m -61.18 -42.05 97.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.852 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -62.59 -41.7 99.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.076 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.06 -40.08 88.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.484 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.29 -43.6 96.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.974 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.07 -39.75 95.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.068 0.461 . . . . 0.0 109.97 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.86 -42.72 99.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.993 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.86 -42.67 99.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.316 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -69.53 -39.96 77.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.363 0.602 . . . . 0.0 110.641 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -69.53 -9.66 54.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.165 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 67.1 p -58.7 -22.54 57.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.573 -178.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -81.94 -12.9 58.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.717 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.71 179.562 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.825 0.345 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 36.9 p30 -61.42 149.77 82.49 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.31 -21.32 67.02 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.63 2.22 . . . . 0.0 112.106 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.55 -14.31 50.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.41 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.81 -25.6 63.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.331 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -60.59 -37.16 80.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.554 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -62.41 -39.09 92.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.426 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 8' ' ' ILE . . . . . 0.65 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.6 mp -62.25 -42.34 94.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.019 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 88.2 m -61.49 -41.95 98.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.81 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -62.6 -41.24 98.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.075 0.464 . . . . 0.0 110.12 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.82 -39.96 90.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.506 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -60.17 -43.34 95.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.993 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.05 -39.57 95.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.947 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.24 -42.46 99.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.979 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.8 -42.61 99.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.291 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.06 -39.91 75.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.363 0.601 . . . . 0.0 110.659 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.54 -10.12 56.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.487 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 92.8 p -58.63 -21.88 55.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.439 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 74.5 m -82.49 -12.82 57.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.876 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.907 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 121.126 0.488 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' C' ' 20' ' ' SER . 33.5 p-10 -63.86 150.08 91.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.239 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.25 -18.99 65.32 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.377 2.051 . . . . 0.0 111.952 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -63.65 -14.9 56.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.635 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.32 -26.64 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.503 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.27 -38.2 85.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.197 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -62.69 -38.05 88.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.767 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.578 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -62.15 -44.86 99.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.8 m -61.95 -43.19 99.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 109.871 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.552 ' NH2' HD11 ' A' ' 14' ' ' LEU . 70.5 ttp85 -63.34 -40.61 97.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.736 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 t -54.21 -45.5 72.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.763 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -62.04 -42.86 99.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.083 0.468 . . . . 0.0 109.976 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -61.81 -38.98 90.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.375 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.552 HD11 ' NH2' ' A' ' 10' ' ' ARG . 72.2 mt -62.12 -41.96 98.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.513 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.54 -41.47 96.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.095 0.474 . . . . 0.0 110.411 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.42 -37.05 85.78 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.164 0.507 . . . . 0.0 110.574 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.72 -9.4 19.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.637 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.7 p -59.02 -22.74 61.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 110.7 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.9 m -84.07 -13.2 53.7 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.72 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.662 179.645 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 CA--C 1.522 -0.1 0 CA-C-O 121.005 0.431 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -64.19 150.13 93.0 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.161 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -64.37 -18.96 64.95 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.388 2.058 . . . . 0.0 112.089 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -63.57 -15.18 57.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.625 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.24 -26.6 63.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.583 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -61.21 -38.41 86.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -62.61 -38.04 88.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.809 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.59 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.5 mp -62.03 -44.71 99.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.7 m -62.1 -43.24 99.26 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.555 ' NH2' HD11 ' B' ' 14' ' ' LEU . 70.6 ttp85 -63.33 -40.75 98.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.719 179.29 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -53.92 -45.51 71.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.797 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -62.1 -42.89 99.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.13 0.49 . . . . 0.0 109.93 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -61.76 -39.04 90.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.344 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.555 HD11 ' NH2' ' B' ' 10' ' ' ARG . 71.6 mt -61.98 -42.0 98.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.575 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.69 -41.36 96.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.029 0.442 . . . . 0.0 110.422 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.44 -36.94 85.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.184 0.516 . . . . 0.0 110.628 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.86 -9.28 19.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.705 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 95.4 p -58.85 -22.83 59.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.014 0.435 . . . . 0.0 110.722 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -84.12 -13.41 53.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.642 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.738 179.726 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.97 0.414 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -64.22 150.18 93.01 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.243 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.35 -18.99 65.07 Favored 'Trans proline' 0 N--CA 1.499 1.798 0 C-N-CA 122.397 2.065 . . . . 0.0 112.059 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -63.7 -14.92 56.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.622 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.26 -26.71 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.472 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.18 -38.4 86.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.115 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -62.71 -38.06 88.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.708 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 8' ' ' ILE . . . . . 0.596 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.6 mp -62.11 -44.71 99.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -61.87 -43.27 99.19 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.548 ' NH2' HD11 ' C' ' 14' ' ' LEU . 70.8 ttp85 -63.28 -40.76 98.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.748 179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 10.8 t -53.96 -45.62 71.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.664 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -61.97 -42.94 99.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.082 0.468 . . . . 0.0 109.945 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -61.82 -39.01 90.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.363 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' LEU . . . . . 0.548 HD11 ' NH2' ' C' ' 10' ' ' ARG . 72.0 mt -62.07 -42.03 98.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.598 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.7 -41.42 96.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.976 0.417 . . . . 0.0 110.388 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.58 -36.96 85.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.174 0.511 . . . . 0.0 110.569 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.54 -9.61 20.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.484 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 94.9 p -58.78 -22.68 58.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.966 0.413 . . . . 0.0 110.753 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 69.2 m -83.94 -13.39 53.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.805 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 2' ' ' ASN . 26.0 t . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.659 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.521 -0.146 0 CA-C-O 120.948 0.404 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 24.3 p-10 -62.2 151.51 81.32 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.015 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.405 ' O ' ' OE1' ' A' ' 6' ' ' GLU . 35.3 Cg_endo -63.04 -19.01 68.0 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.457 2.105 . . . . 0.0 111.952 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.08 -13.92 59.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.507 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.59 -27.76 64.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.52 ' OE2' ' N ' ' A' ' 6' ' ' GLU . 0.9 OUTLIER -61.11 -37.7 83.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.783 0.325 . . . . 0.0 110.147 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.487 ' CD ' HH11 ' A' ' 10' ' ' ARG . 48.5 tp10 -62.69 -39.06 92.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.879 0.371 . . . . 0.0 110.454 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -61.74 -42.36 94.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.1 m -60.44 -43.09 97.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.487 HH11 ' CD ' ' A' ' 7' ' ' GLU . 61.1 ttp180 -62.9 -42.15 99.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.046 0.451 . . . . 0.0 110.116 178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 t -58.68 -40.48 83.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.436 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.12 -42.2 98.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.154 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -60.56 -41.87 95.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.085 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.33 -42.46 99.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.23 -42.06 93.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.09 0.471 . . . . 0.0 110.616 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.55 -37.79 88.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.739 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.31 -9.89 28.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.439 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 94.9 p -58.89 -23.82 61.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.883 0.373 . . . . 0.0 110.772 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.5 p -82.93 -13.16 56.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.953 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.955 179.824 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 121.022 0.439 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -62.02 151.45 80.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.032 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' PRO . . . . . 0.417 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 33.9 Cg_endo -62.84 -19.08 67.69 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.568 2.179 . . . . 0.0 111.871 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.98 -13.94 58.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.428 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.48 -27.92 64.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.541 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.521 ' N ' ' OE2' ' B' ' 6' ' ' GLU . 0.9 OUTLIER -61.08 -37.61 83.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.788 0.328 . . . . 0.0 110.259 179.629 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.488 ' OE2' ' NH1' ' B' ' 10' ' ' ARG . 48.4 tp10 -62.71 -39.12 93.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.34 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.528 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.4 mp -61.62 -42.43 94.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 91.9 m -60.49 -43.06 97.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.488 ' NH1' ' OE2' ' B' ' 7' ' ' GLU . 61.3 ttp180 -63.06 -41.98 99.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.977 0.418 . . . . 0.0 110.066 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 t -58.9 -40.23 83.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.558 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.33 -42.16 98.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.164 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.59 -41.79 95.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.063 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.35 -42.52 99.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.766 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.2 -42.07 93.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.066 0.46 . . . . 0.0 110.554 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.61 -38.1 89.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.788 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.18 -9.8 26.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.475 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 94.6 p -58.96 -23.74 61.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.629 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -82.6 -13.39 56.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.869 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.816 179.859 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.976 0.417 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 2' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' C' ' 2' ' ' ASN . 24.6 p-10 -61.89 151.55 79.41 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.036 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 3' ' ' PRO . . . . . 0.406 ' O ' ' OE1' ' C' ' 6' ' ' GLU . 35.9 Cg_endo -63.19 -18.85 66.95 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 122.466 2.11 . . . . 0.0 111.851 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.02 -13.99 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.581 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.65 -27.8 65.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 6' ' ' GLU . . . . . 0.52 ' N ' ' OE2' ' C' ' 6' ' ' GLU . 0.9 OUTLIER -61.08 -37.68 83.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.188 179.676 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 7' ' ' GLU . . . . . 0.497 ' OE2' ' NH1' ' C' ' 10' ' ' ARG . 48.7 tp10 -62.74 -39.1 93.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 0.0 110.409 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 8' ' ' ILE . . . . . 0.539 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.4 mp -61.67 -42.3 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 90.6 m -60.54 -43.02 97.65 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.624 -0.43 . . . . 0.0 109.876 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.497 ' NH1' ' OE2' ' C' ' 7' ' ' GLU . 61.1 ttp180 -62.97 -41.99 99.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.97 0.414 . . . . 0.0 110.122 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 15.6 t -58.87 -40.22 83.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.571 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -61.12 -42.19 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.12 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.7 -41.63 95.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.045 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.41 -42.54 99.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.823 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.33 -42.04 93.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.021 0.439 . . . . 0.0 110.555 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.58 -37.97 89.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.807 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.26 -9.89 27.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.385 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 94.7 p -58.96 -23.57 61.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.631 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 84.7 p -82.85 -13.7 55.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.889 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.916 179.8 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.972 0.415 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.473 HD21 ' HB3' ' C' ' 17' ' ' ASP . 38.7 p-10 -66.75 150.37 97.65 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.67 -19.5 59.74 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.636 2.224 . . . . 0.0 112.013 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.97 -17.94 63.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.426 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.76 -27.27 64.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.254 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.43 -36.67 81.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.285 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.536 ' OE1' ' NH1' ' A' ' 10' ' ' ARG . 42.3 tp10 -61.94 -40.2 94.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.99 0.424 . . . . 0.0 110.703 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.659 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -61.9 -42.06 93.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.194 0.521 . . . . 0.0 109.779 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.0 m -60.45 -41.31 93.82 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.729 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.536 ' NH1' ' OE1' ' A' ' 7' ' ' GLU . 57.9 ttp180 -61.75 -41.77 98.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.163 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.3 m -55.14 -45.01 75.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.311 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.13 -44.5 92.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.387 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.9 -39.21 93.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.119 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.0 mt -62.54 -42.11 99.32 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.051 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.16 -42.69 99.48 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.366 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -66.28 -39.95 89.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.358 0.599 . . . . 0.0 110.685 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.453 ' HB3' HD21 ' B' ' 2' ' ' ASN . 97.9 m-20 -68.08 -11.32 58.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.427 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -56.12 -30.09 61.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.3 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -80.77 -11.65 59.58 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.853 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.318 -0.768 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.74 179.614 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.453 HD21 ' HB3' ' A' ' 17' ' ' ASP . 39.2 p-10 -67.66 150.32 97.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.913 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.71 -19.25 59.59 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.631 2.221 . . . . 0.0 111.999 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -64.23 -18.32 64.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.57 -27.07 64.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.211 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.39 -36.48 80.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.315 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.553 ' OE1' ' NH1' ' B' ' 10' ' ' ARG . 42.9 tp10 -62.13 -40.22 95.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.089 0.471 . . . . 0.0 110.72 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.658 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.7 mp -61.94 -42.32 94.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.112 0.482 . . . . 0.0 109.882 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 97.3 m -60.3 -41.16 92.86 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.707 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.553 ' NH1' ' OE1' ' B' ' 7' ' ' GLU . 57.4 ttp180 -62.0 -41.97 98.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.25 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 36.9 m -55.27 -44.18 75.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.384 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.7 -44.65 93.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.331 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.52 -39.23 92.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.995 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.39 -41.97 99.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.29 -42.42 99.06 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.349 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.71 -40.37 88.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.419 0.628 . . . . 0.0 110.778 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ASP . . . . . 0.482 ' HB3' HD21 ' C' ' 2' ' ' ASN . 97.9 m-20 -67.61 -11.22 57.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.307 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.6 t -55.7 -30.51 61.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.361 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.2 p -80.42 -11.41 59.69 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 C--N 1.319 -0.759 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.827 179.418 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.003 0.43 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ASN . . . . . 0.482 HD21 ' HB3' ' B' ' 17' ' ' ASP . 40.5 p-10 -66.74 150.66 97.44 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.702 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.63 -19.88 59.95 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.703 2.269 . . . . 0.0 112.017 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -63.67 -18.21 63.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.518 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.88 63.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.65 -37.03 82.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.416 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' GLU . . . . . 0.531 ' OE1' ' NH1' ' C' ' 10' ' ' ARG . 41.6 tp10 -61.86 -40.21 94.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.055 0.455 . . . . 0.0 110.683 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ILE . . . . . 0.672 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.6 mp -61.83 -42.31 94.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.133 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 97.2 m -60.31 -41.33 93.22 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.668 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.531 ' NH1' ' OE1' ' C' ' 7' ' ' GLU . 57.6 ttp180 -61.73 -41.75 98.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.253 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 52.6 m -55.36 -44.29 75.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.388 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.65 -44.66 93.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.892 0.377 . . . . 0.0 110.341 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -62.7 -39.03 92.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.911 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 65.2 mt -62.39 -42.42 99.41 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.024 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.19 -42.63 99.38 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.406 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -66.0 -40.44 91.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.44 0.638 . . . . 0.0 110.691 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ASP . . . . . 0.473 ' HB3' HD21 ' A' ' 2' ' ' ASN . 97.7 m-20 -67.92 -11.14 58.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.352 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t -55.87 -29.79 60.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.456 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 84.1 p -80.65 -12.09 59.54 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.031 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 C--N 1.319 -0.75 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.984 179.611 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 CA--C 1.521 -0.159 0 CA-C-O 121.017 0.437 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' C' ' 20' ' ' SER . 34.2 p-10 -61.57 149.18 84.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.805 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.48 -19.42 60.93 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.605 2.203 . . . . 0.0 112.126 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.4 -13.7 52.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.525 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.72 -26.05 63.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.45 -38.64 84.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.429 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.518 ' CD ' HH11 ' A' ' 10' ' ' ARG . 9.3 tp10 -63.15 -40.71 98.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.102 0.477 . . . . 0.0 110.361 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -62.71 -40.32 88.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.027 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.2 m -59.27 -42.98 92.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.878 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.518 HH11 ' CD ' ' A' ' 7' ' ' GLU . 96.0 mtm-85 -65.01 -37.69 88.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.059 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 t -53.33 -47.3 69.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.937 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -62.84 -43.45 98.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.419 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -62.72 -39.56 94.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.248 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.9 mt -61.98 -42.53 99.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.639 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.73 -40.53 92.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.151 0.501 . . . . 0.0 110.454 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.98 -38.06 89.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.889 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -65.72 -10.39 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.493 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.5 p -59.89 -20.46 57.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.922 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.8 p -79.77 -14.04 59.0 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.013 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.793 179.368 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 120.936 0.398 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -62.32 149.74 86.71 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.795 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.74 -19.33 59.39 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 122.586 2.191 . . . . 0.0 112.041 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.32 -13.9 52.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.613 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.81 -25.99 63.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.369 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.57 -38.51 84.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.292 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.55 ' CD ' HH11 ' B' ' 10' ' ' ARG . 9.7 tp10 -63.14 -41.0 99.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.132 0.491 . . . . 0.0 110.383 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.612 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.7 mp -62.81 -40.16 87.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.007 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.5 m -59.07 -42.95 91.61 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.55 HH11 ' CD ' ' B' ' 7' ' ' GLU . 96.0 mtm-85 -64.98 -37.59 88.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.216 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 9.8 t -53.42 -47.53 69.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.215 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.88 -43.17 99.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.381 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -62.71 -39.6 94.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.288 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 43.2 mt -62.0 -42.31 99.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.626 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.82 -40.64 92.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.115 0.483 . . . . 0.0 110.461 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.84 -38.24 90.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.785 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -65.86 -10.38 37.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.55 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 56.6 p -60.04 -20.48 58.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.9 p -79.33 -14.92 58.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.319 -0.736 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.794 179.41 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.958 0.408 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -62.02 149.74 85.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.863 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.78 -19.28 59.15 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 122.633 2.222 . . . . 0.0 112.11 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.39 -13.86 53.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.587 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.71 -26.17 63.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.462 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.51 -38.57 84.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.353 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' GLU . . . . . 0.549 ' CD ' HH11 ' C' ' 10' ' ' ARG . 9.7 tp10 -63.16 -40.71 98.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.04 0.448 . . . . 0.0 110.229 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' ILE . . . . . 0.602 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.7 mp -62.66 -40.3 87.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.042 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.2 m -59.19 -43.1 92.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.906 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.549 HH11 ' CD ' ' C' ' 7' ' ' GLU . 96.0 mtm-85 -64.84 -37.63 88.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.1 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 10.4 t -53.23 -47.48 68.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.165 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.77 -43.43 98.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.372 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.61 -39.64 94.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.248 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.14 -42.26 99.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.588 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 15' ' ' LEU . 98.3 mt -65.83 -40.55 91.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.149 0.499 . . . . 0.0 110.389 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.01 -38.36 90.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.871 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -65.62 -10.13 33.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.569 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 57.5 p -60.43 -20.18 58.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 88.7 p -79.59 -14.23 58.97 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.083 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 2' ' ' ASN . 19.4 t . . . . . 0 C--N 1.319 -0.761 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.78 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.516 -0.362 0 CA-C-O 121.049 0.452 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.483 ' H ' ' C ' ' C' ' 20' ' ' SER . 14.2 p-10 -59.86 150.52 68.28 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.327 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -57.08 -28.42 78.69 Favored 'Trans proline' 0 N--CA 1.504 2.122 0 C-N-CA 122.564 2.176 . . . . 0.0 112.304 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -62.61 -12.93 26.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.644 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.19 -34.16 70.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.135 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.95 -39.43 92.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.031 0.443 . . . . 0.0 110.348 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.83 -36.27 83.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.14 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.661 HG21 ' HB2' ' C' ' 18' ' ' SER . 44.4 mm -62.3 -41.95 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.566 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.4 m -60.87 -42.04 97.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.845 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.2 mtp85 -62.32 -39.38 92.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.379 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 t -57.77 -44.37 86.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.547 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.22 -42.03 98.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.412 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.0 -40.06 95.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.599 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.7 mt -62.6 -43.43 98.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.65 -42.96 98.06 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.382 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -66.74 -40.82 88.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.43 0.633 . . . . 0.0 110.659 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -70.16 -11.06 60.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.286 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.677 ' HB2' HG21 ' B' ' 8' ' ' ILE . 55.1 p -59.39 -20.19 52.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.529 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.2 p -79.79 -14.04 58.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.624 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.457 ' C ' ' H ' ' B' ' 2' ' ' ASN . 48.9 m . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.578 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 CA--C 1.517 -0.314 0 CA-C-O 120.933 0.397 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.457 ' H ' ' C ' ' A' ' 20' ' ' SER . 15.6 p-10 -60.06 150.42 70.38 Favored Pre-proline 0 C--N 1.323 -0.581 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.343 -178.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -57.24 -28.79 81.21 Favored 'Trans proline' 0 N--CA 1.504 2.141 0 C-N-CA 122.544 2.163 . . . . 0.0 112.448 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.31 -12.98 24.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.398 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.09 -34.43 70.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.045 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.84 -39.54 92.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.937 0.398 . . . . 0.0 110.403 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -64.59 -36.23 83.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.016 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.677 HG21 ' HB2' ' A' ' 18' ' ' SER . 45.0 mm -62.46 -41.82 93.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.61 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -60.66 -41.98 96.09 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -62.32 -39.83 94.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -57.22 -44.59 83.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.06 -42.12 98.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.458 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.98 -40.05 95.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.701 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 24.5 mt -62.53 -43.41 98.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.636 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.83 -42.81 97.54 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.214 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -66.76 -40.92 88.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.445 0.641 . . . . 0.0 110.64 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.17 -11.3 60.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.286 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.662 ' HB2' HG21 ' C' ' 8' ' ' ILE . 56.3 p -59.58 -19.85 51.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.452 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p -79.89 -14.7 58.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.135 0.493 . . . . 0.0 110.594 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.491 ' C ' ' H ' ' C' ' 2' ' ' ASN . 48.7 m . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.745 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.516 -0.331 0 CA-C-O 121.102 0.477 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ASN . . . . . 0.491 ' H ' ' C ' ' B' ' 20' ' ' SER . 15.7 p-10 -59.82 150.68 67.15 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.345 -178.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -57.24 -28.47 79.72 Favored 'Trans proline' 0 N--CA 1.504 2.127 0 C-N-CA 122.529 2.152 . . . . 0.0 112.346 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.5 -13.19 27.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.533 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.95 -34.02 69.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.124 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.09 -39.68 93.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.973 0.416 . . . . 0.0 110.4 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.56 -36.12 83.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.057 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' ILE . . . . . 0.662 HG21 ' HB2' ' B' ' 18' ' ' SER . 43.8 mm -62.35 -42.03 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.657 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 93.4 m -60.63 -42.15 96.33 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -62.25 -39.61 93.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.63 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -57.57 -44.21 85.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.554 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.13 -42.2 99.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.443 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.05 -40.13 95.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.712 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 25.3 mt -62.62 -43.36 99.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.589 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.41 ' O ' ' OG ' ' C' ' 18' ' ' SER . 90.1 mt -63.84 -42.84 97.5 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.361 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.68 -40.78 88.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.407 0.622 . . . . 0.0 110.667 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -70.36 -11.46 60.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.271 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' SER . . . . . 0.661 ' HB2' HG21 ' A' ' 8' ' ' ILE . 54.4 p -59.68 -19.8 52.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.396 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -79.79 -14.46 58.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.682 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 2' ' ' ASN . 56.9 m . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.573 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.464 0.258 0 CA-C-O 121.101 0.477 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.608 ' ND2' ' OG ' ' C' ' 20' ' ' SER . 5.6 p30 -64.03 156.18 75.25 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.038 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.49 -23.16 30.44 Favored 'Trans proline' 0 N--CA 1.503 2.034 0 C-N-CA 122.225 1.95 . . . . 0.0 111.908 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.67 -13.03 27.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.0 0.428 . . . . 0.0 110.404 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.31 -30.29 66.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.218 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.06 -40.28 95.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.879 0.371 . . . . 0.0 110.191 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' OE1' ' NH1' ' A' ' 10' ' ' ARG . 49.2 tp10 -64.87 -38.23 90.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.04 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.6 mm -61.96 -41.94 92.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.539 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.8 m -60.68 -42.28 96.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.03 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.426 ' NH1' ' OE1' ' A' ' 7' ' ' GLU . 59.8 ttp180 -61.78 -42.29 98.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.976 0.417 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.1 t -60.85 -37.75 83.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.202 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.57 -44.14 97.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.201 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.71 -40.16 94.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.252 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.12 -40.98 99.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.047 0.451 . . . . 0.0 110.313 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.9 mt -64.47 -40.69 96.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.168 0.508 . . . . 0.0 110.439 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.74 -29.59 69.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.806 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.86 -8.28 10.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.221 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.7 m -56.49 -32.35 64.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.41 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.6 p -80.67 -9.94 59.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.775 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.598 ' OG ' ' ND2' ' B' ' 2' ' ' ASN . 25.3 p . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.622 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 120.989 0.423 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.598 ' ND2' ' OG ' ' A' ' 20' ' ' SER . 6.4 p30 -64.8 155.87 81.19 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.113 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.15 -23.35 28.96 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.313 2.008 . . . . 0.0 111.953 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -62.64 -12.92 26.23 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.084 0.469 . . . . 0.0 110.52 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.4 -30.39 66.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.189 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.9 -40.17 94.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.943 0.401 . . . . 0.0 110.018 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.415 ' OE1' ' NH1' ' B' ' 10' ' ' ARG . 48.6 tp10 -64.89 -38.22 90.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.047 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 44.8 mm -62.08 -41.97 93.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.538 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.1 m -60.61 -42.2 96.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.244 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.415 ' NH1' ' OE1' ' B' ' 7' ' ' GLU . 59.9 ttp180 -61.86 -42.18 98.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.243 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 t -60.92 -37.5 82.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.325 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.81 -43.98 97.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.245 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.88 -40.06 94.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.258 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.18 -41.05 99.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.049 0.452 . . . . 0.0 110.283 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.41 -40.84 96.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.192 0.52 . . . . 0.0 110.261 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.48 -29.91 70.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.814 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.8 -8.21 10.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.252 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 68.3 m -56.32 -32.32 64.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.344 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 89.5 p -80.53 -10.41 59.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.831 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.62 ' OG ' ' ND2' ' C' ' 2' ' ' ASN . 27.8 p . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.526 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.465 0.283 0 CA-C-O 121.13 0.49 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ASN . . . . . 0.62 ' ND2' ' OG ' ' B' ' 20' ' ' SER . 5.8 p30 -63.89 156.03 75.02 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.166 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.13 -23.4 29.06 Favored 'Trans proline' 0 N--CA 1.501 1.966 0 C-N-CA 122.278 1.985 . . . . 0.0 111.949 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.49 -12.94 25.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.049 0.452 . . . . 0.0 110.503 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.45 66.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.193 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.9 -40.15 94.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.904 0.383 . . . . 0.0 110.031 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' GLU . . . . . 0.433 ' OE1' ' NH1' ' C' ' 10' ' ' ARG . 48.9 tp10 -64.99 -38.27 90.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.964 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 45.5 mm -62.11 -41.79 92.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.543 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 99.1 m -60.78 -42.16 96.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.127 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.433 ' NH1' ' OE1' ' C' ' 7' ' ' GLU . 59.8 ttp180 -61.85 -42.2 98.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 110.201 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 22.6 t -60.81 -37.89 83.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.277 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.67 -44.07 97.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.255 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.48 -40.24 93.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.282 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.26 -40.95 98.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.05 0.452 . . . . 0.0 110.17 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.49 -40.75 96.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.146 0.498 . . . . 0.0 110.364 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.32 -29.94 70.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.77 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ASP . . . . . 0.409 ' O ' ' OG ' ' C' ' 20' ' ' SER . 97.7 m-20 -63.81 -8.32 10.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.311 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -56.42 -32.26 64.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.34 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 87.2 p -80.59 -10.32 59.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.812 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.608 ' OG ' ' ND2' ' A' ' 2' ' ' ASN . 24.7 p . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.699 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.4 mttp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.031 0.443 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' C' ' 20' ' ' SER . 31.0 p-10 -65.87 149.03 97.96 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.093 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -65.47 -19.62 60.96 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.277 1.985 . . . . 0.0 112.283 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.84 -17.85 63.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.631 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.67 -32.65 69.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.089 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.01 -37.23 84.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.323 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -62.48 -40.61 97.24 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.5 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.3 mp -62.36 -39.73 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.885 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.3 m -60.15 -42.27 94.52 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.442 ' NH2' HD11 ' A' ' 14' ' ' LEU . 70.1 ttp85 -62.2 -40.21 95.32 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.0 t -55.36 -43.09 74.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.102 0.477 . . . . 0.0 110.442 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.38 -38.98 88.98 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.654 -0.418 . . . . 0.0 109.958 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -60.48 -38.46 84.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.463 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.442 HD11 ' NH2' ' A' ' 10' ' ' ARG . 81.9 mt -61.6 -44.75 96.42 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.446 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 15' ' ' LEU . 9.3 mp -68.19 -37.21 80.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.04 0.448 . . . . 0.0 110.794 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.39 -37.87 84.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.599 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.59 -10.82 49.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.534 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.7 p -60.53 -20.08 59.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.029 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.3 m -80.52 -15.09 57.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.578 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.435 ' C ' ' H ' ' B' ' 2' ' ' ASN . 19.9 m . . . . . 0 C--N 1.32 -0.696 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.599 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 121.013 0.435 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.435 ' H ' ' C ' ' A' ' 20' ' ' SER . 30.3 p-10 -65.85 149.2 97.77 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.191 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.63 -19.61 60.0 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.393 2.062 . . . . 0.0 112.126 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.95 -17.86 63.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.61 -32.8 69.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.135 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.92 -37.19 83.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.348 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -62.38 -40.69 97.28 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.5 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.3 mp -62.23 -39.9 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.866 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.5 m -60.19 -42.2 94.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.142 0.496 . . . . 0.0 109.721 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.434 ' NH2' HD11 ' B' ' 14' ' ' LEU . 70.4 ttp85 -62.29 -40.43 96.26 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 47.4 t -54.9 -43.27 73.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.098 0.475 . . . . 0.0 110.577 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.32 -38.97 88.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.956 0.408 . . . . 0.0 109.906 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -60.36 -38.61 84.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.469 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.434 HD11 ' NH2' ' B' ' 10' ' ' ARG . 82.9 mt -61.68 -44.74 96.36 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.506 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.51 ' N ' HD12 ' B' ' 15' ' ' LEU . 9.1 mp -68.12 -37.4 81.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.116 0.484 . . . . 0.0 110.881 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.41 -37.8 84.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.678 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.44 -10.68 46.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.573 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 83.8 p -60.67 -19.89 59.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.8 m -80.43 -15.01 57.8 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.591 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.422 ' C ' ' H ' ' C' ' 2' ' ' ASN . 19.3 m . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.447 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.89 0.376 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' B' ' 20' ' ' SER . 30.0 p-10 -65.7 149.24 97.6 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.09 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.64 -19.61 59.95 Favored 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.345 2.03 . . . . 0.0 112.083 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.96 -17.7 63.53 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.018 0.437 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.47 -32.81 69.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.066 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.94 -37.24 83.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.404 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -62.52 -40.7 97.59 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' ILE . . . . . 0.496 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.3 mp -62.27 -39.92 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.908 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.6 m -59.95 -42.5 94.17 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.438 ' NH2' HD11 ' C' ' 14' ' ' LEU . 70.4 ttp85 -61.98 -40.59 96.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 49.0 t -54.9 -43.32 73.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.069 0.461 . . . . 0.0 110.482 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.2 -38.99 88.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.006 0.431 . . . . 0.0 110.016 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -60.39 -38.61 84.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' LEU . . . . . 0.438 HD11 ' NH2' ' C' ' 10' ' ' ARG . 82.8 mt -61.63 -44.73 96.43 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.495 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.499 HD12 ' N ' ' C' ' 15' ' ' LEU . 9.3 mp -68.15 -37.32 80.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.042 0.449 . . . . 0.0 110.862 178.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.3 -37.91 84.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.701 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.69 -10.55 47.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.583 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 84.1 p -60.55 -20.19 59.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.016 0.436 . . . . 0.0 110.889 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 73.5 m -80.52 -14.6 58.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.634 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 2' ' ' ASN . 21.7 m . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.581 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.0 mttp . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.105 0.478 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.506 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -65.8 154.48 88.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.082 -178.752 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.42 -26.06 60.92 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.394 2.062 . . . . 0.0 112.015 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.09 -16.14 50.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.303 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.63 -28.98 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.253 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.24 -38.44 89.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.152 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.68 -39.73 94.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.191 0.519 . . . . 0.0 109.808 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -62.26 -41.71 92.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.895 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -59.31 -41.64 89.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.853 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.37 -41.86 97.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.981 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.31 -36.66 84.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.141 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -59.11 -44.64 91.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.064 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.85 -40.12 96.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.235 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.07 -41.31 99.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.84 -40.88 97.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.626 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.69 -37.68 87.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.386 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.08 -10.28 29.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.36 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.5 p -58.21 -32.04 67.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.573 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.8 m -84.52 -14.36 49.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.737 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.627 179.551 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.977 0.418 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' B' ' 2' ' ' ASN . 0.1 OUTLIER -65.3 154.5 87.3 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.005 -178.824 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.31 -25.93 59.22 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.393 2.062 . . . . 0.0 112.123 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.0 -16.26 50.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.268 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.52 -28.99 65.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.15 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.28 -38.26 88.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.915 0.388 . . . . 0.0 110.185 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -62.83 -39.63 94.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.17 0.509 . . . . 0.0 109.851 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.538 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.5 mp -62.53 -41.69 92.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.948 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 98.4 m -59.46 -41.57 90.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.983 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -61.42 -41.66 97.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.963 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.93 -36.19 83.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.425 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -59.3 -44.29 92.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.991 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.05 -40.15 96.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.177 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.02 -41.26 99.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.87 -40.8 97.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.515 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.66 -37.74 87.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.378 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.08 -10.29 29.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.354 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 100.0 p -58.17 -31.91 67.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.3 m -84.58 -13.93 50.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.83 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.882 179.588 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 C--O 1.234 0.249 0 CA-C-O 121.009 0.433 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' C' ' 2' ' ' ASN . 0.1 OUTLIER -64.96 154.31 86.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.079 -178.701 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.43 -25.7 59.11 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 122.395 2.063 . . . . 0.0 111.993 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.33 -16.2 52.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.32 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.51 -28.89 65.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.18 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.21 -38.4 89.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.178 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -62.69 -39.8 95.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.139 0.495 . . . . 0.0 109.763 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' ILE . . . . . 0.527 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.5 mp -62.38 -41.67 92.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.002 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -59.43 -41.53 89.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.95 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.45 -41.82 97.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.99 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.41 -36.49 84.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.223 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -59.16 -44.47 92.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.04 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.05 -40.25 97.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.322 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 78.6 mt -63.0 -41.06 99.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.512 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.91 -40.98 97.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.524 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.57 -37.85 87.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.425 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.9 -10.72 30.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.406 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 96.5 p -58.0 -32.06 67.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.55 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 70.7 m -84.12 -14.02 51.42 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.719 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.951 179.614 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt . . . . . 0 N--CA 1.464 0.241 0 CA-C-O 120.951 0.405 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.431 ' C ' HD22 ' A' ' 2' ' ' ASN . 0.4 OUTLIER -60.93 154.92 56.91 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.083 -179.283 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.13 -24.57 41.54 Favored 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 122.59 2.193 . . . . 0.0 111.907 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.23 -11.59 15.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.345 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.69 -28.58 63.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.09 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.13 -40.92 97.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.392 . . . . 0.0 110.429 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.4 -36.47 84.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.479 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.3 mm -62.57 -42.69 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.828 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.6 m -60.98 -41.92 97.34 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.948 -0.389 . . . . 0.0 109.948 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.499 ' NH2' HD11 ' A' ' 14' ' ' LEU . 70.1 ttp85 -62.08 -41.99 98.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.136 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 t -56.97 -40.91 77.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.032 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.12 -42.97 99.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.212 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.28 -40.98 96.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.576 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.499 HD11 ' NH2' ' A' ' 10' ' ' ARG . 97.7 mt -63.03 -43.08 99.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.916 0.389 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.89 -39.53 93.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.135 0.493 . . . . 0.0 110.718 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.25 -35.14 78.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.524 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.18 -9.18 15.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.162 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.7 p -58.44 -26.06 62.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.8 0.333 . . . . 0.0 110.69 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.0 p -86.03 -15.67 40.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.978 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.627 179.488 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt . . . . . 0 C--O 1.234 0.254 0 CA-C-O 120.917 0.389 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.432 HD22 ' C ' ' B' ' 2' ' ' ASN . 0.4 OUTLIER -60.52 154.4 55.45 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.033 -179.265 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.77 -24.3 37.4 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 122.573 2.182 . . . . 0.0 112.031 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.09 -11.7 15.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.473 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.7 -28.57 63.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.09 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.06 -40.94 97.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.396 . . . . 0.0 110.376 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.46 -36.56 84.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.094 0.473 . . . . 0.0 110.538 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 33.3 mm -62.43 -42.46 95.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.732 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.4 m -61.16 -41.91 97.61 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.477 ' NH2' HD11 ' B' ' 14' ' ' LEU . 69.6 ttp85 -62.02 -42.19 98.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 t -56.45 -41.14 75.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.235 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -62.21 -42.51 99.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.141 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.7 -40.72 96.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.685 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.477 HD11 ' NH2' ' B' ' 10' ' ' ARG . 97.3 mt -63.61 -42.95 98.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.348 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.94 -39.45 93.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.181 0.515 . . . . 0.0 110.599 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.38 -35.4 79.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.485 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.84 -9.87 17.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.271 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 87.7 p -58.27 -26.46 62.99 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.732 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 92.1 p -85.34 -16.09 41.11 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.411 ' OG ' ' OD1' ' C' ' 2' ' ' ASN . 17.1 t . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.714 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.905 0.383 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ASN . . . . . 0.44 HD22 ' C ' ' C' ' 2' ' ' ASN . 0.4 OUTLIER -60.82 154.4 58.7 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.065 -179.191 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.68 -24.28 36.63 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 122.532 2.154 . . . . 0.0 111.986 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.07 -11.4 13.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.332 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.88 -29.05 64.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.2 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.89 -40.63 96.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.957 0.408 . . . . 0.0 110.387 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -65.66 -36.73 84.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.086 0.47 . . . . 0.0 110.728 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.35 -42.32 95.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 92.8 m -61.15 -41.84 97.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.013 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.504 ' NH2' HD11 ' C' ' 14' ' ' LEU . 70.2 ttp85 -62.25 -41.78 98.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.988 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 t -56.75 -40.9 76.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 0.0 110.273 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.19 -42.77 99.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.197 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.52 -40.61 95.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.555 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' LEU . . . . . 0.504 HD11 ' NH2' ' C' ' 10' ' ' ARG . 97.1 mt -63.56 -42.69 98.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.39 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.42 -39.65 92.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.174 0.512 . . . . 0.0 110.6 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.19 -35.33 78.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.493 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.95 -9.62 16.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.097 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 88.2 p -58.33 -27.04 63.77 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.574 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 89.2 p -85.06 -15.49 43.84 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.948 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.817 179.587 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.985 0.421 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.429 ' H ' ' C ' ' C' ' 20' ' ' SER . 20.3 m120 -61.85 148.82 86.97 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.898 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.89 -19.19 58.52 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.581 2.187 . . . . 0.0 111.829 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.06 -12.48 51.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.414 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.42 -28.05 51.78 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.171 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.61 -39.09 92.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.084 0.468 . . . . 0.0 110.143 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -65.97 -38.63 89.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.193 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.486 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.8 mp -60.94 -42.2 91.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.912 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.5 m -59.88 -43.2 94.89 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -62.75 -38.74 91.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.204 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -54.89 -46.41 74.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.392 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.1 -41.46 98.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.391 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -64.4 -40.83 96.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.399 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.16 -42.21 99.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.754 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.72 -39.89 94.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.671 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.47 -36.53 82.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.504 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.445 ' O ' ' OG ' ' A' ' 20' ' ' SER . 97.5 m-20 -64.11 -9.28 15.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.369 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.5 p -57.54 -32.07 66.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.697 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -90.25 -12.3 38.34 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.977 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 17' ' ' ASP . 85.2 p . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.838 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.983 0.421 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.42 ' H ' ' C ' ' A' ' 20' ' ' SER . 20.8 m120 -61.96 149.13 86.74 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.926 -178.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.06 -19.37 57.47 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 122.546 2.164 . . . . 0.0 111.787 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.85 -12.45 48.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.386 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.39 -28.24 52.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.057 -178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.56 -38.92 91.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.065 0.459 . . . . 0.0 110.084 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -66.01 -38.57 88.79 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.243 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.489 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.8 mp -61.16 -42.37 93.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.09 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.9 m -59.81 -42.84 94.36 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.6 mtp85 -62.87 -38.72 91.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.067 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 t -54.96 -46.45 75.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.562 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.1 -41.7 98.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.322 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -64.17 -40.94 97.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.363 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.14 -42.39 99.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.746 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.54 -39.81 94.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.205 0.526 . . . . 0.0 110.559 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.37 -36.75 83.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.442 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ASP . . . . . 0.441 ' O ' ' OG ' ' B' ' 20' ' ' SER . 97.7 m-20 -63.98 -9.27 14.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.419 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 99.9 p -57.43 -31.91 66.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.698 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.0 m -90.11 -13.01 36.65 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.093 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' B' ' 17' ' ' ASP . 84.2 p . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.815 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.982 0.42 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ASN . . . . . 0.436 ' H ' ' C ' ' B' ' 20' ' ' SER . 20.9 m120 -61.8 148.5 87.38 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.917 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.54 -19.5 60.53 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.539 2.159 . . . . 0.0 111.872 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.96 -12.25 47.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.517 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.58 -28.33 54.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.159 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.33 -38.74 90.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.108 0.48 . . . . 0.0 110.09 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -66.22 -38.78 88.78 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.189 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' ILE . . . . . 0.489 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.8 mp -60.89 -42.02 91.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.873 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -60.13 -42.98 95.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.242 0.544 . . . . 0.0 109.702 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 60.7 mtp85 -62.92 -38.75 92.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.121 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 t -54.99 -46.51 75.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.521 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.82 -41.35 97.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.334 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -64.59 -40.62 95.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.327 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.27 -42.28 99.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.83 -39.9 94.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.667 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.55 -36.37 82.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.447 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ASP . . . . . 0.438 ' O ' ' OG ' ' C' ' 20' ' ' SER . 97.2 m-20 -64.08 -9.26 15.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.363 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 97.3 p -57.44 -32.15 66.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.926 0.394 . . . . 0.0 110.611 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -89.79 -12.97 37.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.981 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' C' ' 17' ' ' ASP . 82.8 p . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.049 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 C--O 1.236 0.343 0 CA-C-O 121.058 0.456 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.425 ' H ' ' C ' ' C' ' 20' ' ' SER . 6.7 t-20 -62.21 137.28 95.81 Favored Pre-proline 0 CA--C 1.544 0.749 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.435 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.43 -23.71 40.02 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.612 2.208 . . . . 0.0 112.122 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.27 -15.09 45.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.58 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.47 -26.72 63.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.293 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.32 -37.77 84.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.3 -38.92 91.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.413 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.613 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -62.57 -41.03 90.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.865 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.1 m -59.61 -41.52 90.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.822 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.9 mtp85 -62.5 -40.07 95.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.444 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.0 m -59.43 -41.94 90.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.376 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.85 -45.92 90.92 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.104 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.97 -39.75 94.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.39 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.9 mt -62.22 -41.76 98.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.804 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.59 -40.83 97.94 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.05 0.452 . . . . 0.0 110.485 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.17 -37.58 87.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.582 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.97 -10.33 28.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.413 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.2 p -58.15 -31.88 67.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.767 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -83.77 -17.64 40.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.147 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.756 179.449 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.0 0.429 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -61.9 137.66 95.41 Favored Pre-proline 0 CA--C 1.543 0.701 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.397 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.48 -23.85 41.14 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 122.584 2.189 . . . . 0.0 112.161 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.02 -15.14 42.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.552 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.7 -26.69 64.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.163 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.16 -37.63 83.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.459 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.7 -39.36 93.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.67 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.592 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.7 mp -62.21 -40.66 88.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.109 0.48 . . . . 0.0 109.813 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 97.4 m -59.83 -41.65 91.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.816 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -62.25 -39.93 94.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.447 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 m -59.43 -42.22 91.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.51 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.62 -45.82 90.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.154 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.19 -39.88 94.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.457 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 25.0 mt -62.04 -41.92 98.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.814 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.49 -40.7 97.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.08 0.467 . . . . 0.0 110.37 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -63.08 -37.69 88.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.489 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.1 -10.38 30.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.567 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 90.9 p -58.25 -32.02 67.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.782 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -82.9 -18.4 40.32 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.15 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.44 ' C ' ' H ' ' C' ' 2' ' ' ASN . 5.5 t . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.498 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp . . . . . 0 CA--C 1.516 -0.358 0 CA-C-O 120.964 0.411 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ASN . . . . . 0.44 ' H ' ' C ' ' B' ' 20' ' ' SER . 6.8 t-20 -62.25 137.21 95.85 Favored Pre-proline 0 N--CA 1.445 -0.72 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.565 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.72 -23.86 43.23 Favored 'Trans proline' 0 N--CA 1.5 1.879 0 C-N-CA 122.565 2.176 . . . . 0.0 112.167 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.99 -14.97 40.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.475 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.84 -26.78 64.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.276 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.17 -37.51 83.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.47 -39.41 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 0.0 110.493 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' ILE . . . . . 0.594 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.7 mp -62.04 -41.05 89.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.134 0.493 . . . . 0.0 109.936 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 96.2 m -59.74 -41.5 91.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.769 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -62.35 -39.82 94.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.386 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 23.1 m -59.68 -42.5 93.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.461 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.5 -45.63 91.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.077 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.1 -39.81 94.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.449 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.05 -42.26 99.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.801 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.34 -40.85 98.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.097 0.475 . . . . 0.0 110.475 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.03 -37.71 88.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.612 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.96 -10.24 27.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.425 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 95.5 p -58.01 -31.99 67.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 72.7 m -83.16 -18.07 40.7 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.171 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 2' ' ' ASN . 6.4 t . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.814 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' C' ' 20' ' ' SER . 35.5 p-10 -60.87 146.87 86.27 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.603 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.43 -24.1 50.01 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.676 2.251 . . . . 0.0 112.45 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.403 ' OE2' ' N ' ' A' ' 4' ' ' GLU . 57.9 mp0 -64.12 -12.92 44.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.579 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.29 -31.75 67.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.304 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.72 -40.31 94.62 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.074 0.464 . . . . 0.0 110.608 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -64.76 -35.71 81.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.17 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.5 mm -61.19 -39.52 82.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.769 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.9 m -59.76 -41.39 90.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.801 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -61.86 -39.6 92.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.403 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.0 t -55.25 -45.02 76.08 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.57 -41.34 98.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.294 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -62.83 -39.96 95.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.355 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.6 mt -62.21 -42.33 99.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.528 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 15' ' ' LEU . 98.0 mt -65.03 -40.29 94.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.483 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.53 -36.78 83.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.352 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.47 -9.33 17.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.367 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.6 t -56.66 -33.07 66.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.456 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.1 p -78.69 -13.44 59.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.422 ' C ' ' H ' ' B' ' 2' ' ' ASN . 20.6 m . . . . . 0 C--N 1.32 -0.703 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.623 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.909 0.385 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 20' ' ' SER . 35.7 p-10 -60.83 146.77 86.21 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.651 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.26 -23.81 51.61 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.665 2.243 . . . . 0.0 112.389 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.438 ' OE2' ' N ' ' B' ' 4' ' ' GLU . 57.8 mp0 -64.25 -12.91 45.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.597 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.4 -31.88 68.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.3 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.61 -40.05 93.44 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.104 0.478 . . . . 0.0 110.605 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -64.97 -35.98 82.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.081 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 48.6 mm -61.09 -39.0 80.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.683 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.5 m -60.17 -41.54 93.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.823 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -61.95 -39.09 90.91 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.342 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 22.2 t -56.09 -44.46 79.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.382 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.06 -40.75 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.24 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.18 -40.13 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.199 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 17.3 mt -62.15 -42.59 99.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.457 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.79 -40.23 94.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.405 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.75 -37.5 86.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.437 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.14 -9.18 15.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.163 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.6 t -56.56 -33.04 65.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.473 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.1 p -78.45 -13.96 59.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.42 ' C ' ' H ' ' C' ' 2' ' ' ASN . 20.3 m . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.597 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.233 0.237 0 CA-C-O 120.844 0.354 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ASN . . . . . 0.42 ' H ' ' C ' ' B' ' 20' ' ' SER . 35.9 p-10 -60.89 146.91 86.31 Favored Pre-proline 0 N--CA 1.451 -0.382 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.695 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.48 -23.48 50.4 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.666 2.244 . . . . 0.0 112.382 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' GLU . . . . . 0.458 ' OE2' ' N ' ' C' ' 4' ' ' GLU . 57.2 mp0 -64.95 -12.85 54.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.621 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.48 -31.82 68.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.173 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.57 -40.26 94.09 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.09 0.472 . . . . 0.0 110.52 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -64.88 -36.0 82.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.193 0.521 . . . . 0.0 110.207 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 49.3 mm -61.07 -38.91 80.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.886 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 85.3 m -60.21 -41.39 92.9 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -61.79 -39.7 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.316 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 23.7 t -55.25 -44.74 75.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.919 0.39 . . . . 0.0 110.343 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.7 -40.83 98.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.238 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.06 -40.4 97.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.208 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.6 mt -62.06 -42.57 99.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.537 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.67 -40.28 95.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.472 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.7 -37.32 86.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.455 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.8 -9.05 12.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.244 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 35.2 t -56.94 -32.8 66.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.601 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 87.2 p -78.41 -13.91 59.63 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 2' ' ' ASN . 20.4 m . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.549 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.762 0.315 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -63.79 151.58 88.63 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.558 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.24 -20.33 69.71 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 C-N-CA 122.921 2.414 . . . . 0.0 111.984 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -65.08 -12.24 48.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.275 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.16 -25.08 61.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.209 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.39 -37.61 81.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.399 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -64.08 -37.41 87.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.572 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.564 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.6 mp -61.59 -44.74 99.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.943 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.2 m -61.18 -41.69 97.24 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -62.65 -40.06 95.84 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 t -54.61 -48.14 72.56 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.285 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.57 -43.48 98.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.318 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -62.28 -42.09 99.05 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.419 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.1 mt -62.78 -41.21 99.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.216 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.52 -39.51 91.9 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.113 0.483 . . . . 0.0 110.591 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.06 -36.21 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.382 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.88 -9.0 12.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.506 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.2 t -56.08 -33.51 65.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.541 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.4 p -78.91 -10.27 59.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.711 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.647 179.466 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.797 0.332 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 37.9 p-10 -63.5 152.19 86.14 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.588 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.44 -19.9 68.84 Favored 'Trans proline' 0 C--N 1.304 -1.813 0 C-N-CA 122.849 2.366 . . . . 0.0 111.997 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.05 -13.06 57.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.33 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.72 -25.02 59.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.177 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.45 -37.96 82.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.279 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -63.78 -37.82 88.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.538 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.56 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.6 mp -61.42 -44.53 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.916 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 92.1 m -61.4 -41.74 97.62 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -62.43 -39.79 94.47 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 7.2 t -54.99 -48.2 73.62 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.292 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.49 -43.57 98.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.266 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -62.24 -42.02 98.94 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.403 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.62 -41.51 99.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.348 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.29 -39.62 92.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.134 0.492 . . . . 0.0 110.571 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.1 -36.12 80.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.79 -8.97 12.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.402 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 39.6 t -56.28 -33.87 65.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.543 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 91.6 p -78.58 -10.55 59.77 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.735 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.652 179.401 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.889 0.376 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -63.61 151.78 87.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.575 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.22 -19.81 67.99 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.862 2.375 . . . . 0.0 112.016 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.38 -12.56 53.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.155 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.94 -25.23 60.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.222 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.42 -37.26 80.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.462 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -64.49 -37.98 89.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.634 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 8' ' ' ILE . . . . . 0.568 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.5 mp -61.37 -44.39 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 81.2 m -61.2 -42.01 97.83 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -62.61 -39.55 94.14 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 7.6 t -54.88 -48.09 73.44 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.842 0.353 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.75 -43.37 98.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.188 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.44 -42.15 99.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.276 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 mt -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.445 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.19 -39.3 92.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.621 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.98 -36.95 82.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.467 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.12 -8.76 8.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.403 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 42.1 t -56.16 -33.82 65.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.559 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 92.0 p -78.84 -11.18 59.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.714 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.64 179.512 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 120.997 0.427 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.478 ' N ' ' OD1' ' A' ' 2' ' ' ASN . 10.7 p-10 -60.14 150.82 69.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.068 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.439 ' O ' ' OE1' ' A' ' 6' ' ' GLU . 36.9 Cg_endo -64.44 -19.1 65.0 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.531 2.154 . . . . 0.0 111.931 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.57 -11.96 40.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.503 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.52 -31.92 66.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.125 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' A' ' 3' ' ' PRO . 1.9 mp0 -61.73 -39.63 92.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 110.107 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -64.47 -38.78 92.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.007 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.543 HG21 ' HB3' ' C' ' 18' ' ' SER . 37.4 mm -62.63 -42.2 95.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.2 m -60.73 -42.8 98.02 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -63.91 -38.6 91.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.194 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 t -53.89 -48.37 70.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.116 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.0 -42.1 97.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.14 0.495 . . . . 0.0 110.735 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.43 -38.75 92.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.709 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.03 -41.75 98.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.597 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.81 -39.14 93.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.989 0.423 . . . . 0.0 110.5 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.92 -37.26 84.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.673 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.52 -10.72 27.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.43 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.563 ' HB3' HG21 ' B' ' 8' ' ' ILE . 93.6 p -59.73 -21.81 61.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.937 0.398 . . . . 0.0 110.907 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m -81.17 -17.12 50.84 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.419 ' C ' ' H ' ' B' ' 2' ' ' ASN . 50.4 m . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.79 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.98 0.419 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' B' ' 2' ' ' ASN . 10.3 p-10 -60.07 150.9 68.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.083 -178.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.417 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 37.0 Cg_endo -64.31 -18.89 64.8 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.555 2.17 . . . . 0.0 111.935 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.92 -12.2 46.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.553 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.63 -31.79 66.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.042 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.417 ' OE1' ' O ' ' B' ' 3' ' ' PRO . 1.7 mp0 -61.71 -39.77 92.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.885 0.374 . . . . 0.0 110.093 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -64.48 -38.81 92.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.989 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.563 HG21 ' HB3' ' A' ' 18' ' ' SER . 37.7 mm -62.7 -42.03 94.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 -178.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 78.3 m -60.54 -42.99 97.63 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -63.4 -38.78 92.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.451 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 18.8 t -54.16 -48.4 70.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.352 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -63.87 -41.99 97.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.112 0.482 . . . . 0.0 110.584 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -64.41 -39.03 93.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.78 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 25.9 mt -61.88 -41.9 98.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.595 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.68 -39.2 93.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.054 0.454 . . . . 0.0 110.379 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.02 -36.79 82.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.618 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.98 -10.66 31.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.585 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.575 ' HB3' HG21 ' C' ' 8' ' ' ILE . 92.1 p -59.63 -22.04 61.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.903 0.382 . . . . 0.0 110.998 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 66.2 m -81.0 -17.22 51.1 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.803 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.425 ' C ' ' H ' ' C' ' 2' ' ' ASN . 40.3 m . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.688 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.955 0.407 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' C' ' 2' ' ' ASN . 11.0 p-10 -60.1 150.91 68.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.142 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 3' ' ' PRO . . . . . 0.428 ' O ' ' OE1' ' C' ' 6' ' ' GLU . 36.6 Cg_endo -64.32 -19.12 65.29 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.51 2.14 . . . . 0.0 112.009 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.64 -11.94 40.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.562 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.62 -32.13 66.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.121 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' C' ' 3' ' ' PRO . 1.7 mp0 -61.71 -39.48 91.64 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.114 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -64.67 -38.88 92.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.074 0.464 . . . . 0.0 110.077 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' ILE . . . . . 0.575 HG21 ' HB3' ' B' ' 18' ' ' SER . 37.3 mm -62.55 -42.04 94.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -178.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 80.4 m -60.68 -42.81 97.85 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -63.71 -38.62 91.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.245 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 17.3 t -53.99 -48.27 70.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.204 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -64.18 -42.01 96.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.977 0.418 . . . . 0.0 110.774 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.6 -38.77 92.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.83 -41.95 98.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.648 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.87 -39.16 93.1 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.057 0.456 . . . . 0.0 110.442 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.98 -36.91 82.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.632 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.66 -10.84 29.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.476 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' SER . . . . . 0.543 ' HB3' HG21 ' A' ' 8' ' ' ILE . 93.0 p -59.77 -21.58 60.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.953 0.406 . . . . 0.0 110.925 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 72.5 m -80.95 -17.52 50.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.441 ' C ' ' H ' ' A' ' 2' ' ' ASN . 39.8 m . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.847 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 N--CA 1.466 0.348 0 CA-C-O 121.171 0.51 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.9 155.03 73.85 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.139 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.19 -23.97 39.22 Favored 'Trans proline' 0 N--CA 1.501 1.933 0 C-N-CA 122.482 2.121 . . . . 0.0 111.968 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.55 -13.25 28.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.414 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.34 -29.16 65.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.33 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.93 -40.79 96.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.126 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.71 -38.36 88.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.89 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.7 mm -62.64 -42.02 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.819 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.5 m -60.66 -42.65 97.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.176 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.529 ' NH2' HD11 ' A' ' 14' ' ' LEU . 64.3 ttp85 -62.43 -41.21 98.55 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.7 t -60.03 -41.2 91.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.392 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.96 -41.65 96.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.069 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -62.43 -39.82 94.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.259 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.529 HD11 ' NH2' ' A' ' 10' ' ' ARG . 90.9 mt -63.37 -41.23 98.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.036 0.446 . . . . 0.0 110.232 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.54 -39.87 94.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.192 0.52 . . . . 0.0 110.406 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.58 -33.06 74.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -62.4 -8.07 5.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.193 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.0 t -56.3 -34.01 66.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 64.2 m -81.16 -10.79 59.58 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.747 179.52 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 121.192 0.52 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.65 155.06 71.51 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.124 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.02 -24.22 38.9 Favored 'Trans proline' 0 N--CA 1.5 1.903 0 C-N-CA 122.29 1.993 . . . . 0.0 112.052 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.61 -13.35 30.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.375 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.23 -29.3 65.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.289 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.0 -41.0 97.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 0.0 110.262 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -65.58 -38.35 89.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.062 0.458 . . . . 0.0 109.903 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 38.1 mm -62.62 -42.06 94.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.928 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 87.4 m -60.41 -42.56 96.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.075 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.532 ' NH2' HD11 ' B' ' 14' ' ' LEU . 64.5 ttp85 -62.15 -41.65 98.49 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 37.0 t -59.87 -41.13 90.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.592 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.04 -41.74 97.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.136 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -62.3 -39.82 94.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.208 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.532 HD11 ' NH2' ' B' ' 10' ' ' ARG . 89.8 mt -63.24 -41.52 99.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.07 0.462 . . . . 0.0 110.192 179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.53 -39.48 93.83 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.147 0.498 . . . . 0.0 110.409 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.62 -33.25 74.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.776 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.55 -8.12 5.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.187 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.6 t -56.13 -33.49 65.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.955 0.407 . . . . 0.0 110.399 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.0 m -81.04 -12.26 59.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.787 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.523 179.448 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 62.8 mttp . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 121.086 0.47 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.67 154.87 72.57 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.221 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.0 -23.85 37.01 Favored 'Trans proline' 0 N--CA 1.501 1.925 0 C-N-CA 122.327 2.018 . . . . 0.0 112.059 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -62.74 -13.29 31.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.455 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.35 -29.3 65.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.345 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.83 -40.91 96.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.992 0.425 . . . . 0.0 110.267 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -65.46 -38.31 89.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.028 0.442 . . . . 0.0 109.846 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 37.2 mm -62.59 -42.05 94.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.861 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 82.0 m -60.6 -42.61 97.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.16 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.545 ' NH2' HD11 ' C' ' 14' ' ' LEU . 64.7 ttp85 -62.31 -41.65 98.7 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 34.9 t -59.83 -40.91 90.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.477 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -61.24 -41.38 96.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.123 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -62.59 -39.88 95.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.235 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' LEU . . . . . 0.545 HD11 ' NH2' ' C' ' 10' ' ' ARG . 89.7 mt -63.35 -41.32 98.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.08 0.467 . . . . 0.0 110.261 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.63 -39.79 94.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.258 0.552 . . . . 0.0 110.55 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.58 -33.29 74.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.68 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.46 -7.96 5.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.144 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 38.5 t -56.25 -33.84 65.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.535 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 67.8 m -80.71 -12.13 59.52 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.819 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.535 179.402 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.017 0.437 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.1 p-10 -61.18 149.96 80.76 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.546 -178.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -63.19 -24.23 72.68 Favored 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 122.701 2.267 . . . . 0.0 112.376 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 4' ' ' GLU . 56.2 mp0 -64.11 -13.06 45.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.652 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.14 -25.42 61.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.223 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -60.42 -35.89 76.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.018 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.461 ' CD ' HH11 ' A' ' 10' ' ' ARG . 48.8 tp10 -62.23 -39.96 94.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.992 0.425 . . . . 0.0 110.455 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.551 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -61.36 -42.41 93.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 86.7 m -60.56 -42.8 97.33 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.461 HH11 ' CD ' ' A' ' 7' ' ' GLU . 59.7 ttp180 -63.24 -41.27 99.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.095 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.4 t -55.07 -43.67 74.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.1 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.81 -40.12 96.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.248 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.63 -41.6 97.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.197 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.4 mt -62.74 -41.71 99.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.005 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.95 -39.71 94.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.508 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.24 -36.66 82.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.459 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.67 -10.68 28.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.474 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -59.11 -24.43 62.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.94 0.4 . . . . 0.0 110.626 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.6 t -83.98 -18.32 37.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.986 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.405 ' C ' ' H ' ' B' ' 2' ' ' ASN . 61.1 p . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.805 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.949 0.404 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.405 ' H ' ' C ' ' A' ' 20' ' ' SER . 44.3 p-10 -61.24 149.99 80.96 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.615 -178.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -63.66 -23.04 70.05 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.461 ' OE2' ' N ' ' B' ' 4' ' ' GLU . 54.9 mp0 -65.14 -12.79 54.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.681 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.36 -25.44 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.137 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -60.44 -35.73 76.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.096 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.462 ' CD ' HH11 ' B' ' 10' ' ' ARG . 49.3 tp10 -62.45 -39.51 93.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.921 0.391 . . . . 0.0 110.398 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.562 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.5 mp -61.7 -42.75 95.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 88.0 m -60.55 -42.74 97.18 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.462 HH11 ' CD ' ' B' ' 7' ' ' GLU . 59.5 ttp180 -63.09 -41.71 99.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.167 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 13.2 t -54.99 -42.72 72.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.263 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.52 -39.89 95.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.117 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.51 -41.79 97.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.217 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 mt -62.74 -41.61 99.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.26 -39.64 94.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.452 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.5 -36.0 81.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.334 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.37 -10.46 33.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.608 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 95.9 p -59.11 -25.75 64.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.741 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.1 t -82.37 -18.63 41.38 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.01 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.416 ' C ' ' H ' ' C' ' 2' ' ' ASN . 76.7 p . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.707 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.914 0.388 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' B' ' 20' ' ' SER . 46.3 p-10 -61.46 149.77 82.65 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.671 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.54 -23.52 70.57 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' C' ' 4' ' ' GLU . 55.7 mp0 -64.5 -12.9 48.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.759 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.06 -25.09 60.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.189 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -60.67 -35.64 76.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.106 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' GLU . . . . . 0.471 ' CD ' HH11 ' C' ' 10' ' ' ARG . 49.4 tp10 -62.67 -39.7 94.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.003 0.43 . . . . 0.0 110.306 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 8' ' ' ILE . . . . . 0.563 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.5 mp -61.74 -42.54 94.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 93.5 m -60.68 -43.0 98.23 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.471 HH11 ' CD ' ' C' ' 7' ' ' GLU . 59.2 ttp180 -62.79 -41.45 99.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.051 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 t -54.94 -43.2 73.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.297 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.36 -39.83 95.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.088 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.58 -41.98 98.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.263 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.61 -41.5 99.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.3 -39.76 94.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.584 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.46 -36.18 81.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.32 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.84 -10.88 31.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.395 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 94.4 p -59.07 -24.88 63.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.995 0.426 . . . . 0.0 110.814 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 21.2 t -83.33 -18.23 39.65 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.036 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 71.1 p . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.049 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.5 mttp . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.966 0.412 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.44 ' H ' ' C ' ' C' ' 20' ' ' SER . 19.3 p-10 -61.24 149.99 80.94 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.859 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.529 ' O ' ' OE2' ' A' ' 6' ' ' GLU . 33.0 Cg_endo -64.43 -21.39 66.39 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 122.679 2.253 . . . . 0.0 111.847 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -65.13 -12.49 51.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.204 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.69 -36.99 75.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.178 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.529 ' OE2' ' O ' ' A' ' 3' ' ' PRO . 15.8 mp0 -61.52 -37.63 84.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.892 0.377 . . . . 0.0 110.381 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.465 ' CD ' HH11 ' A' ' 10' ' ' ARG . 49.9 tp10 -63.24 -38.12 89.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.057 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.0 mm -62.19 -41.72 92.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.742 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.0 m -60.36 -42.37 95.61 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.465 HH11 ' CD ' ' A' ' 7' ' ' GLU . 57.4 ttp180 -62.86 -41.44 99.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.339 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.5 t -56.11 -44.07 78.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.915 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -61.9 -41.9 98.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.351 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -60.8 -40.34 92.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.182 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.85 -41.56 97.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.489 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.68 -42.14 95.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.986 0.422 . . . . 0.0 110.517 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.34 -38.53 91.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.629 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.36 -10.28 31.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.315 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.0 p -59.09 -21.66 59.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.697 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.9 t -80.8 -17.43 50.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.893 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.437 ' C ' ' H ' ' B' ' 2' ' ' ASN . 23.6 t . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.611 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.7 mttp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.855 0.36 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' A' ' 20' ' ' SER . 17.3 p-10 -61.2 149.74 81.53 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.82 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.497 ' O ' ' OE2' ' B' ' 6' ' ' GLU . 32.7 Cg_endo -64.14 -21.79 67.6 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 122.643 2.229 . . . . 0.0 111.956 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.8 -12.77 51.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.209 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.46 -36.85 74.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.127 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.497 ' OE2' ' O ' ' B' ' 3' ' ' PRO . 13.6 mp0 -61.54 -37.27 83.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 110.451 178.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.508 ' CD ' HH11 ' B' ' 10' ' ' ARG . 50.0 tp10 -63.74 -38.34 90.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.031 0.443 . . . . 0.0 110.05 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 38.1 mm -62.0 -41.51 91.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.718 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 94.6 m -60.54 -42.5 96.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.508 HH11 ' CD ' ' B' ' 7' ' ' GLU . 57.0 ttp180 -62.45 -42.24 99.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.369 179.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 35.5 t -55.75 -43.55 76.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.251 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -62.08 -41.27 98.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.315 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -61.43 -40.07 93.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.219 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.02 -41.81 98.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.606 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.67 -41.93 95.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.028 0.442 . . . . 0.0 110.526 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.71 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.618 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -65.82 -9.97 33.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.215 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 91.1 p -59.28 -21.72 60.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.681 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 37.1 t -80.69 -17.38 51.31 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.895 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.439 ' C ' ' H ' ' C' ' 2' ' ' ASN . 23.0 t . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.622 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.886 0.374 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' ASN . . . . . 0.439 ' H ' ' C ' ' B' ' 20' ' ' SER . 16.6 p-10 -61.57 149.89 82.82 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.76 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 3' ' ' PRO . . . . . 0.52 ' O ' ' OE2' ' C' ' 6' ' ' GLU . 34.1 Cg_endo -64.47 -21.72 66.0 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 122.685 2.257 . . . . 0.0 111.929 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -64.73 -12.52 47.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.187 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.74 -36.99 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.181 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.52 ' OE2' ' O ' ' C' ' 3' ' ' PRO . 15.4 mp0 -61.51 -37.34 83.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 110.402 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 7' ' ' GLU . . . . . 0.498 ' CD ' HH11 ' C' ' 10' ' ' ARG . 50.3 tp10 -63.65 -38.16 90.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.12 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 38.7 mm -62.07 -41.43 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -60.7 -42.5 97.32 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.498 HH11 ' CD ' ' C' ' 7' ' ' GLU . 57.4 ttp180 -62.6 -42.01 99.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.951 0.405 . . . . 0.0 110.293 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 35.5 t -55.94 -43.68 77.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.221 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.29 -41.24 98.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.281 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -61.49 -39.8 92.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.164 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.11 -41.76 98.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.505 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.78 -41.89 95.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.954 0.407 . . . . 0.0 110.472 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.82 -38.07 89.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.743 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.89 -10.03 34.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.362 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 90.8 p -59.2 -21.7 59.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.601 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 36.7 t -80.24 -17.96 50.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.883 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 2' ' ' ASN . 23.8 t . . . . . 0 C--N 1.32 -0.676 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.548 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt . . . . . 0 CA--C 1.516 -0.357 0 CA-C-O 121.106 0.479 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 -66.99 154.73 91.86 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.069 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -56.44 -21.1 35.9 Favored 'Trans proline' 0 N--CA 1.502 1.975 0 C-N-CA 122.313 2.009 . . . . 0.0 112.063 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.1 -15.81 47.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.515 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.75 -26.72 64.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.383 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.21 -38.11 85.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.306 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.521 ' CD ' HH11 ' A' ' 10' ' ' ARG . 49.7 tp10 -63.04 -38.79 92.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.307 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.538 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -61.44 -42.43 93.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.847 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.4 m -60.48 -43.42 96.98 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.896 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.521 HH11 ' CD ' ' A' ' 7' ' ' GLU . 60.2 ttp180 -63.49 -42.16 98.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.078 0.466 . . . . 0.0 110.501 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -56.7 -44.5 81.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.11 -42.3 98.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.374 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.63 -42.04 96.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.283 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.81 -42.07 99.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.776 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.93 -40.13 94.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.192 0.52 . . . . 0.0 110.451 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.6 -34.86 77.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.579 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.37 -9.33 11.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.411 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.4 m -57.61 -33.62 68.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.64 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -79.29 -16.1 56.92 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.669 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.476 179.746 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt . . . . . 0 CA--C 1.517 -0.32 0 CA-C-O 121.118 0.485 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -66.89 154.75 91.52 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.206 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -56.46 -21.29 36.93 Favored 'Trans proline' 0 N--CA 1.502 1.995 0 C-N-CA 122.373 2.049 . . . . 0.0 111.99 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.94 -15.87 46.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.87 -26.82 64.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.322 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.03 -38.07 84.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.394 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.523 ' CD ' HH11 ' B' ' 10' ' ' ARG . 49.7 tp10 -62.97 -38.82 92.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.903 0.382 . . . . 0.0 110.372 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.538 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.4 mp -61.63 -42.39 93.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.803 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 90.2 m -60.49 -43.44 96.99 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.79 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.523 HH11 ' CD ' ' B' ' 7' ' ' GLU . 60.6 ttp180 -63.77 -41.97 97.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.466 178.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 16.0 t -56.77 -44.44 81.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.814 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.32 -42.37 98.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.276 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.49 -41.87 95.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.139 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.8 -42.01 99.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.84 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.93 -39.98 94.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.182 0.515 . . . . 0.0 110.596 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.81 -34.64 77.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.469 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.25 -9.56 12.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.386 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 65.2 m -57.39 -33.6 68.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.122 0.486 . . . . 0.0 110.515 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -79.35 -16.04 56.93 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.476 179.721 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt . . . . . 0 CA--C 1.516 -0.361 0 CA-C-O 121.088 0.471 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -66.98 154.71 91.86 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.11 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.47 -21.3 37.05 Favored 'Trans proline' 0 N--CA 1.501 1.967 0 C-N-CA 122.393 2.062 . . . . 0.0 112.137 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.86 -15.77 44.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.537 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.81 -26.72 64.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.27 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.15 -38.23 85.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.444 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' GLU . . . . . 0.521 ' CD ' HH11 ' C' ' 10' ' ' ARG . 49.9 tp10 -63.07 -38.7 92.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.863 0.363 . . . . 0.0 110.277 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 8' ' ' ILE . . . . . 0.539 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.4 mp -61.68 -42.44 94.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.865 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 93.0 m -60.37 -43.48 96.54 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.857 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.521 HH11 ' CD ' ' C' ' 7' ' ' GLU . 60.4 ttp180 -63.58 -42.11 98.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.042 0.449 . . . . 0.0 110.318 178.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 11.1 t -56.57 -44.78 81.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.06 -42.29 98.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.329 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -60.54 -42.04 95.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.304 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.81 -42.02 99.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.749 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.79 -40.15 94.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.204 0.526 . . . . 0.0 110.527 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.62 -34.92 78.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.618 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.31 -9.23 10.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.448 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 68.6 m -57.66 -33.82 68.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -79.36 -16.24 56.6 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.794 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.609 179.826 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.097 0.475 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -65.48 153.68 89.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.95 -178.803 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.46 -25.51 58.41 Favored 'Trans proline' 0 N--CA 1.499 1.796 0 C-N-CA 122.458 2.105 . . . . 0.0 112.237 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.03 -19.99 63.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.506 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.38 -32.7 68.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.257 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.59 -36.3 80.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.175 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.518 ' CD ' HH11 ' A' ' 10' ' ' ARG . 48.2 tp10 -62.31 -40.35 96.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.944 0.402 . . . . 0.0 110.147 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.556 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -61.51 -43.37 96.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.064 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.3 m -61.04 -42.54 98.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.147 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.518 HH11 ' CD ' ' A' ' 7' ' ' GLU . 58.3 ttp180 -60.38 -35.3 75.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.113 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.461 ' O ' HD23 ' A' ' 15' ' ' LEU . 9.9 t -52.22 -41.67 62.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.369 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.36 -38.34 83.53 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.561 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.51 -38.96 89.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.164 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.36 -43.16 99.46 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.699 -179.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.9 mm? -63.07 -42.72 99.74 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.375 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.14 -39.88 93.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.248 0.547 . . . . 0.0 110.408 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -68.52 -11.56 60.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.396 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.0 p -58.64 -26.46 63.77 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.39 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.8 p -85.43 -14.17 47.04 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.159 0.504 . . . . 0.0 110.948 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.7 t . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.786 179.757 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 121.033 0.444 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' B' ' 2' ' ' ASN . 0.0 OUTLIER -65.54 153.61 90.02 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.902 -178.78 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -56.68 -25.44 60.07 Favored 'Trans proline' 0 N--CA 1.499 1.8 0 C-N-CA 122.502 2.134 . . . . 0.0 112.129 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.1 -19.83 63.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.58 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.46 -32.63 68.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.394 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.44 -35.95 79.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.187 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.508 ' CD ' HH11 ' B' ' 10' ' ' ARG . 48.2 tp10 -62.41 -40.13 95.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.562 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.7 mp -61.87 -43.48 97.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.348 -0.387 . . . . 0.0 109.987 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -60.9 -42.56 98.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.193 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.508 HH11 ' CD ' ' B' ' 7' ' ' GLU . 57.9 ttp180 -60.48 -35.54 76.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.993 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' CYS . . . . . 0.464 ' O ' HD23 ' B' ' 15' ' ' LEU . 10.8 t -52.08 -41.51 62.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.368 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.4 -38.34 83.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.823 0.344 . . . . 0.0 110.514 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.37 -39.15 89.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.214 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.17 -43.41 98.9 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.671 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' B' ' 15' ' ' LEU . 3.9 mm? -63.05 -42.73 99.8 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.327 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -65.24 -39.72 93.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.246 0.546 . . . . 0.0 110.315 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.44 -11.5 59.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.264 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' B' ' 15' ' ' LEU . 82.7 p -58.75 -26.81 64.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.427 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.3 p -85.45 -14.47 46.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.942 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.77 179.7 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 121.095 0.474 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 2' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' C' ' 2' ' ' ASN . 0.0 OUTLIER -65.34 153.58 89.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.93 -178.867 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.56 -25.48 59.17 Favored 'Trans proline' 0 N--CA 1.499 1.835 0 C-N-CA 122.582 2.188 . . . . 0.0 112.128 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.06 -19.53 63.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.46 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.0 69.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.191 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.44 -36.72 81.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.161 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' GLU . . . . . 0.519 ' OE2' ' NH1' ' C' ' 10' ' ' ARG . 47.7 tp10 -62.02 -40.44 95.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.119 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 8' ' ' ILE . . . . . 0.567 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.7 mp -61.55 -43.28 96.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.014 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.8 m -61.08 -42.52 98.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.319 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.519 ' NH1' ' OE2' ' C' ' 7' ' ' GLU . 58.2 ttp180 -60.49 -35.3 75.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.027 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 11' ' ' CYS . . . . . 0.46 ' O ' HD23 ' C' ' 15' ' ' LEU . 9.5 t -52.24 -41.26 62.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.402 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.47 -38.01 82.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.813 0.339 . . . . 0.0 110.465 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.0 -39.01 90.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.157 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.2 -43.3 99.15 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.656 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.484 ' N ' HD22 ' C' ' 15' ' ' LEU . 4.0 mm? -63.08 -42.79 99.72 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.488 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.1 -39.62 93.39 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.323 0.582 . . . . 0.0 110.482 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -68.91 -11.33 60.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.304 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 84.2 p -58.5 -26.23 63.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.346 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 83.7 p -85.89 -14.65 44.21 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.899 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.724 179.737 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.944 0.402 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 37.6 p30 -61.58 149.61 83.67 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.887 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.39 -20.67 66.53 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.706 2.271 . . . . 0.0 112.048 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.48 -14.33 56.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.392 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.95 -25.6 63.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.364 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -60.56 -36.8 79.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.454 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' OE1' ' NH1' ' A' ' 10' ' ' ARG . 47.3 tp10 -62.58 -39.47 93.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.402 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.635 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.6 mp -61.92 -42.54 95.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.966 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.9 m -61.03 -42.13 97.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.885 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.403 ' NH1' ' OE1' ' A' ' 7' ' ' GLU . 58.0 ttp180 -62.58 -41.25 98.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.097 0.475 . . . . 0.0 110.026 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.49 -40.36 91.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.409 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -59.9 -43.29 94.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.865 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.1 -39.74 95.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.056 0.455 . . . . 0.0 110.33 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.42 -41.92 99.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.916 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.17 -42.4 99.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.268 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.06 -40.08 75.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.409 0.623 . . . . 0.0 110.626 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -69.49 -9.87 55.66 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.243 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 84.8 p -58.85 -21.72 57.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.408 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.4 m -82.64 -11.47 58.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.783 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.658 179.711 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.76 0.314 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 35.0 p30 -61.31 149.66 82.32 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.044 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.85 -20.35 64.55 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.671 2.247 . . . . 0.0 112.018 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -64.49 -14.38 56.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.83 -25.57 63.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.494 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -60.57 -36.88 79.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.383 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.58 -38.96 92.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.246 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.64 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.6 mp -62.22 -42.42 95.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.984 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 90.8 m -61.18 -42.05 97.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.852 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -62.59 -41.7 99.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.076 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.06 -40.08 88.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.484 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.29 -43.6 96.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.974 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.07 -39.75 95.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.068 0.461 . . . . 0.0 109.97 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.86 -42.72 99.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.993 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.86 -42.67 99.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.316 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -69.53 -39.96 77.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.363 0.602 . . . . 0.0 110.641 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -69.53 -9.66 54.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.165 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 67.1 p -58.7 -22.54 57.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.573 -178.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -81.94 -12.9 58.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.717 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.71 179.562 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.825 0.345 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 36.9 p30 -61.42 149.77 82.49 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.31 -21.32 67.02 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.63 2.22 . . . . 0.0 112.106 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.55 -14.31 50.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.41 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.81 -25.6 63.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.331 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -60.59 -37.16 80.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.554 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -62.41 -39.09 92.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.426 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' ILE . . . . . 0.65 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.6 mp -62.25 -42.34 94.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.019 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 88.2 m -61.49 -41.95 98.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.81 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -62.6 -41.24 98.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.075 0.464 . . . . 0.0 110.12 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.82 -39.96 90.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.506 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -60.17 -43.34 95.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.993 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.05 -39.57 95.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.947 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.24 -42.46 99.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.979 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.8 -42.61 99.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.291 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.06 -39.91 75.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.363 0.601 . . . . 0.0 110.659 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.54 -10.12 56.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.487 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 92.8 p -58.63 -21.88 55.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.439 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 74.5 m -82.49 -12.82 57.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.876 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.907 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 121.126 0.488 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' C' ' 20' ' ' SER . 33.5 p-10 -63.86 150.08 91.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.239 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.25 -18.99 65.32 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.377 2.051 . . . . 0.0 111.952 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -63.65 -14.9 56.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.635 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.32 -26.64 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.503 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.27 -38.2 85.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.197 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -62.69 -38.05 88.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.767 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.578 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -62.15 -44.86 99.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.8 m -61.95 -43.19 99.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 109.871 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.552 ' NH2' HD11 ' A' ' 14' ' ' LEU . 70.5 ttp85 -63.34 -40.61 97.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.736 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 t -54.21 -45.5 72.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.763 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -62.04 -42.86 99.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.083 0.468 . . . . 0.0 109.976 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -61.81 -38.98 90.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.375 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.552 HD11 ' NH2' ' A' ' 10' ' ' ARG . 72.2 mt -62.12 -41.96 98.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.513 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.54 -41.47 96.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.095 0.474 . . . . 0.0 110.411 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.42 -37.05 85.78 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.164 0.507 . . . . 0.0 110.574 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.72 -9.4 19.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.637 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.7 p -59.02 -22.74 61.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 110.7 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.9 m -84.07 -13.2 53.7 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.72 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.662 179.645 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 CA--C 1.522 -0.1 0 CA-C-O 121.005 0.431 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -64.19 150.13 93.0 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.161 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -64.37 -18.96 64.95 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.388 2.058 . . . . 0.0 112.089 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -63.57 -15.18 57.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.625 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.24 -26.6 63.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.583 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -61.21 -38.41 86.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -62.61 -38.04 88.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.809 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.59 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.5 mp -62.03 -44.71 99.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.7 m -62.1 -43.24 99.26 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.555 ' NH2' HD11 ' B' ' 14' ' ' LEU . 70.6 ttp85 -63.33 -40.75 98.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.719 179.29 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -53.92 -45.51 71.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.797 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -62.1 -42.89 99.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.13 0.49 . . . . 0.0 109.93 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -61.76 -39.04 90.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.344 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.555 HD11 ' NH2' ' B' ' 10' ' ' ARG . 71.6 mt -61.98 -42.0 98.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.575 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.69 -41.36 96.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.029 0.442 . . . . 0.0 110.422 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.44 -36.94 85.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.184 0.516 . . . . 0.0 110.628 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.86 -9.28 19.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.705 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 95.4 p -58.85 -22.83 59.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.014 0.435 . . . . 0.0 110.722 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -84.12 -13.41 53.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.642 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.738 179.726 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.97 0.414 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -64.22 150.18 93.01 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.243 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.35 -18.99 65.07 Favored 'Trans proline' 0 N--CA 1.499 1.798 0 C-N-CA 122.397 2.065 . . . . 0.0 112.059 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -63.7 -14.92 56.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.622 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.26 -26.71 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.472 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.18 -38.4 86.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.115 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -62.71 -38.06 88.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.708 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' ILE . . . . . 0.596 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.6 mp -62.11 -44.71 99.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -61.87 -43.27 99.19 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.548 ' NH2' HD11 ' C' ' 14' ' ' LEU . 70.8 ttp85 -63.28 -40.76 98.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.748 179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 10.8 t -53.96 -45.62 71.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.664 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -61.97 -42.94 99.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.082 0.468 . . . . 0.0 109.945 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -61.82 -39.01 90.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.363 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' LEU . . . . . 0.548 HD11 ' NH2' ' C' ' 10' ' ' ARG . 72.0 mt -62.07 -42.03 98.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.598 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.7 -41.42 96.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.976 0.417 . . . . 0.0 110.388 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.58 -36.96 85.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.174 0.511 . . . . 0.0 110.569 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.54 -9.61 20.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.484 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 94.9 p -58.78 -22.68 58.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.966 0.413 . . . . 0.0 110.753 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 69.2 m -83.94 -13.39 53.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.805 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 2' ' ' ASN . 26.0 t . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.659 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.521 -0.146 0 CA-C-O 120.948 0.404 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 24.3 p-10 -62.2 151.51 81.32 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.015 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.405 ' O ' ' OE1' ' A' ' 6' ' ' GLU . 35.3 Cg_endo -63.04 -19.01 68.0 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.457 2.105 . . . . 0.0 111.952 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.08 -13.92 59.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.507 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.59 -27.76 64.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.52 ' OE2' ' N ' ' A' ' 6' ' ' GLU . 0.9 OUTLIER -61.11 -37.7 83.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.783 0.325 . . . . 0.0 110.147 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.487 ' CD ' HH11 ' A' ' 10' ' ' ARG . 48.5 tp10 -62.69 -39.06 92.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.879 0.371 . . . . 0.0 110.454 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -61.74 -42.36 94.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.1 m -60.44 -43.09 97.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.487 HH11 ' CD ' ' A' ' 7' ' ' GLU . 61.1 ttp180 -62.9 -42.15 99.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.046 0.451 . . . . 0.0 110.116 178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 t -58.68 -40.48 83.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.436 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.12 -42.2 98.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.154 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -60.56 -41.87 95.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.085 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.33 -42.46 99.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.23 -42.06 93.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.09 0.471 . . . . 0.0 110.616 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.55 -37.79 88.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.739 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.31 -9.89 28.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.439 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 94.9 p -58.89 -23.82 61.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.883 0.373 . . . . 0.0 110.772 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.5 p -82.93 -13.16 56.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.953 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.955 179.824 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 121.022 0.439 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -62.02 151.45 80.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.032 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.417 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 33.9 Cg_endo -62.84 -19.08 67.69 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.568 2.179 . . . . 0.0 111.871 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.98 -13.94 58.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.428 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.48 -27.92 64.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.541 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.521 ' N ' ' OE2' ' B' ' 6' ' ' GLU . 0.9 OUTLIER -61.08 -37.61 83.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.788 0.328 . . . . 0.0 110.259 179.629 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.488 ' OE2' ' NH1' ' B' ' 10' ' ' ARG . 48.4 tp10 -62.71 -39.12 93.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.34 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.528 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.4 mp -61.62 -42.43 94.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 91.9 m -60.49 -43.06 97.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.488 ' NH1' ' OE2' ' B' ' 7' ' ' GLU . 61.3 ttp180 -63.06 -41.98 99.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.977 0.418 . . . . 0.0 110.066 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 t -58.9 -40.23 83.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.558 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.33 -42.16 98.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.164 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.59 -41.79 95.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.063 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.35 -42.52 99.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.766 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.2 -42.07 93.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.066 0.46 . . . . 0.0 110.554 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.61 -38.1 89.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.788 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.18 -9.8 26.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.475 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 94.6 p -58.96 -23.74 61.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.629 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -82.6 -13.39 56.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.869 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.816 179.859 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.976 0.417 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' C' ' 2' ' ' ASN . 24.6 p-10 -61.89 151.55 79.41 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.036 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 3' ' ' PRO . . . . . 0.406 ' O ' ' OE1' ' C' ' 6' ' ' GLU . 35.9 Cg_endo -63.19 -18.85 66.95 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 122.466 2.11 . . . . 0.0 111.851 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.02 -13.99 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.581 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.65 -27.8 65.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.52 ' N ' ' OE2' ' C' ' 6' ' ' GLU . 0.9 OUTLIER -61.08 -37.68 83.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.188 179.676 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 7' ' ' GLU . . . . . 0.497 ' OE2' ' NH1' ' C' ' 10' ' ' ARG . 48.7 tp10 -62.74 -39.1 93.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 0.0 110.409 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 8' ' ' ILE . . . . . 0.539 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.4 mp -61.67 -42.3 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 90.6 m -60.54 -43.02 97.65 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.624 -0.43 . . . . 0.0 109.876 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.497 ' NH1' ' OE2' ' C' ' 7' ' ' GLU . 61.1 ttp180 -62.97 -41.99 99.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.97 0.414 . . . . 0.0 110.122 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 15.6 t -58.87 -40.22 83.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.571 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -61.12 -42.19 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.12 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.7 -41.63 95.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.045 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.41 -42.54 99.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.823 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.33 -42.04 93.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.021 0.439 . . . . 0.0 110.555 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.58 -37.97 89.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.807 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.26 -9.89 27.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.385 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 94.7 p -58.96 -23.57 61.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.631 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 84.7 p -82.85 -13.7 55.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.889 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.916 179.8 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.972 0.415 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.473 HD21 ' HB3' ' C' ' 17' ' ' ASP . 38.7 p-10 -66.75 150.37 97.65 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.67 -19.5 59.74 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.636 2.224 . . . . 0.0 112.013 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.97 -17.94 63.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.426 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.76 -27.27 64.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.254 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.43 -36.67 81.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.285 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.536 ' OE1' ' NH1' ' A' ' 10' ' ' ARG . 42.3 tp10 -61.94 -40.2 94.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.99 0.424 . . . . 0.0 110.703 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.659 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -61.9 -42.06 93.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.194 0.521 . . . . 0.0 109.779 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.0 m -60.45 -41.31 93.82 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.729 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.536 ' NH1' ' OE1' ' A' ' 7' ' ' GLU . 57.9 ttp180 -61.75 -41.77 98.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.163 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.3 m -55.14 -45.01 75.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.311 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.13 -44.5 92.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.387 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.9 -39.21 93.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.119 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.0 mt -62.54 -42.11 99.32 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.051 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.16 -42.69 99.48 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.366 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -66.28 -39.95 89.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.358 0.599 . . . . 0.0 110.685 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.453 ' HB3' HD21 ' B' ' 2' ' ' ASN . 97.9 m-20 -68.08 -11.32 58.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.427 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -56.12 -30.09 61.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.3 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -80.77 -11.65 59.58 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.853 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.318 -0.768 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.74 179.614 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.453 HD21 ' HB3' ' A' ' 17' ' ' ASP . 39.2 p-10 -67.66 150.32 97.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.913 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.71 -19.25 59.59 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.631 2.221 . . . . 0.0 111.999 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -64.23 -18.32 64.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.57 -27.07 64.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.211 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.39 -36.48 80.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.315 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.553 ' OE1' ' NH1' ' B' ' 10' ' ' ARG . 42.9 tp10 -62.13 -40.22 95.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.089 0.471 . . . . 0.0 110.72 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.658 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.7 mp -61.94 -42.32 94.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.112 0.482 . . . . 0.0 109.882 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 97.3 m -60.3 -41.16 92.86 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.707 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.553 ' NH1' ' OE1' ' B' ' 7' ' ' GLU . 57.4 ttp180 -62.0 -41.97 98.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.25 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 36.9 m -55.27 -44.18 75.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.384 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.7 -44.65 93.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.331 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.52 -39.23 92.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.995 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.39 -41.97 99.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.29 -42.42 99.06 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.349 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.71 -40.37 88.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.419 0.628 . . . . 0.0 110.778 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . 0.482 ' HB3' HD21 ' C' ' 2' ' ' ASN . 97.9 m-20 -67.61 -11.22 57.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.307 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.6 t -55.7 -30.51 61.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.361 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.2 p -80.42 -11.41 59.69 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 C--N 1.319 -0.759 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.827 179.418 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.003 0.43 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' ASN . . . . . 0.482 HD21 ' HB3' ' B' ' 17' ' ' ASP . 40.5 p-10 -66.74 150.66 97.44 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.702 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.63 -19.88 59.95 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.703 2.269 . . . . 0.0 112.017 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -63.67 -18.21 63.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.518 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.88 63.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.65 -37.03 82.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.416 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . 0.531 ' OE1' ' NH1' ' C' ' 10' ' ' ARG . 41.6 tp10 -61.86 -40.21 94.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.055 0.455 . . . . 0.0 110.683 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . 0.672 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.6 mp -61.83 -42.31 94.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.133 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 97.2 m -60.31 -41.33 93.22 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.668 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.531 ' NH1' ' OE1' ' C' ' 7' ' ' GLU . 57.6 ttp180 -61.73 -41.75 98.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.253 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 52.6 m -55.36 -44.29 75.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.388 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.65 -44.66 93.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.892 0.377 . . . . 0.0 110.341 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -62.7 -39.03 92.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.911 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 65.2 mt -62.39 -42.42 99.41 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.024 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.19 -42.63 99.38 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.406 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -66.0 -40.44 91.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.44 0.638 . . . . 0.0 110.691 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . 0.473 ' HB3' HD21 ' A' ' 2' ' ' ASN . 97.7 m-20 -67.92 -11.14 58.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.352 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t -55.87 -29.79 60.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.456 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 84.1 p -80.65 -12.09 59.54 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.031 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 C--N 1.319 -0.75 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.984 179.611 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 CA--C 1.521 -0.159 0 CA-C-O 121.017 0.437 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' C' ' 20' ' ' SER . 34.2 p-10 -61.57 149.18 84.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.805 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.48 -19.42 60.93 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.605 2.203 . . . . 0.0 112.126 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.4 -13.7 52.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.525 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.72 -26.05 63.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.45 -38.64 84.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.429 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.518 ' CD ' HH11 ' A' ' 10' ' ' ARG . 9.3 tp10 -63.15 -40.71 98.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.102 0.477 . . . . 0.0 110.361 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -62.71 -40.32 88.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.027 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.2 m -59.27 -42.98 92.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.878 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.518 HH11 ' CD ' ' A' ' 7' ' ' GLU . 96.0 mtm-85 -65.01 -37.69 88.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.059 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 t -53.33 -47.3 69.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.937 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -62.84 -43.45 98.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.419 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -62.72 -39.56 94.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.248 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.9 mt -61.98 -42.53 99.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.639 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.73 -40.53 92.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.151 0.501 . . . . 0.0 110.454 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.98 -38.06 89.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.889 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -65.72 -10.39 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.493 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.5 p -59.89 -20.46 57.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.922 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.8 p -79.77 -14.04 59.0 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.013 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.793 179.368 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 120.936 0.398 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -62.32 149.74 86.71 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.795 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.74 -19.33 59.39 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 122.586 2.191 . . . . 0.0 112.041 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.32 -13.9 52.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.613 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.81 -25.99 63.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.369 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.57 -38.51 84.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.292 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.55 ' CD ' HH11 ' B' ' 10' ' ' ARG . 9.7 tp10 -63.14 -41.0 99.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.132 0.491 . . . . 0.0 110.383 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.612 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.7 mp -62.81 -40.16 87.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.007 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.5 m -59.07 -42.95 91.61 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.55 HH11 ' CD ' ' B' ' 7' ' ' GLU . 96.0 mtm-85 -64.98 -37.59 88.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.216 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 9.8 t -53.42 -47.53 69.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.215 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.88 -43.17 99.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.381 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -62.71 -39.6 94.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.288 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 43.2 mt -62.0 -42.31 99.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.626 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.82 -40.64 92.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.115 0.483 . . . . 0.0 110.461 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.84 -38.24 90.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.785 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -65.86 -10.38 37.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.55 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 56.6 p -60.04 -20.48 58.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.9 p -79.33 -14.92 58.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.319 -0.736 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.794 179.41 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.958 0.408 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -62.02 149.74 85.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.863 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.78 -19.28 59.15 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 122.633 2.222 . . . . 0.0 112.11 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.39 -13.86 53.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.587 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.71 -26.17 63.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.462 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.51 -38.57 84.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.353 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . 0.549 ' CD ' HH11 ' C' ' 10' ' ' ARG . 9.7 tp10 -63.16 -40.71 98.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.04 0.448 . . . . 0.0 110.229 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . 0.602 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.7 mp -62.66 -40.3 87.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.042 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.2 m -59.19 -43.1 92.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.906 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.549 HH11 ' CD ' ' C' ' 7' ' ' GLU . 96.0 mtm-85 -64.84 -37.63 88.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.1 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 10.4 t -53.23 -47.48 68.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.165 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.77 -43.43 98.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.372 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.61 -39.64 94.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.248 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.14 -42.26 99.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.588 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 15' ' ' LEU . 98.3 mt -65.83 -40.55 91.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.149 0.499 . . . . 0.0 110.389 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.01 -38.36 90.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.871 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -65.62 -10.13 33.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.569 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 57.5 p -60.43 -20.18 58.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 88.7 p -79.59 -14.23 58.97 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.083 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 2' ' ' ASN . 19.4 t . . . . . 0 C--N 1.319 -0.761 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.78 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.516 -0.362 0 CA-C-O 121.049 0.452 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.483 ' H ' ' C ' ' C' ' 20' ' ' SER . 14.2 p-10 -59.86 150.52 68.28 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.327 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -57.08 -28.42 78.69 Favored 'Trans proline' 0 N--CA 1.504 2.122 0 C-N-CA 122.564 2.176 . . . . 0.0 112.304 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -62.61 -12.93 26.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.644 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.19 -34.16 70.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.135 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.95 -39.43 92.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.031 0.443 . . . . 0.0 110.348 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.83 -36.27 83.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.14 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.661 HG21 ' HB2' ' C' ' 18' ' ' SER . 44.4 mm -62.3 -41.95 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.566 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.4 m -60.87 -42.04 97.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.845 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.2 mtp85 -62.32 -39.38 92.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.379 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 t -57.77 -44.37 86.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.547 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.22 -42.03 98.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.412 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.0 -40.06 95.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.599 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.7 mt -62.6 -43.43 98.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.65 -42.96 98.06 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.382 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -66.74 -40.82 88.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.43 0.633 . . . . 0.0 110.659 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -70.16 -11.06 60.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.286 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.677 ' HB2' HG21 ' B' ' 8' ' ' ILE . 55.1 p -59.39 -20.19 52.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.529 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.2 p -79.79 -14.04 58.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.624 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.457 ' C ' ' H ' ' B' ' 2' ' ' ASN . 48.9 m . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.578 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 CA--C 1.517 -0.314 0 CA-C-O 120.933 0.397 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.457 ' H ' ' C ' ' A' ' 20' ' ' SER . 15.6 p-10 -60.06 150.42 70.38 Favored Pre-proline 0 C--N 1.323 -0.581 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.343 -178.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -57.24 -28.79 81.21 Favored 'Trans proline' 0 N--CA 1.504 2.141 0 C-N-CA 122.544 2.163 . . . . 0.0 112.448 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.31 -12.98 24.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.398 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.09 -34.43 70.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.045 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.84 -39.54 92.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.937 0.398 . . . . 0.0 110.403 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -64.59 -36.23 83.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.016 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.677 HG21 ' HB2' ' A' ' 18' ' ' SER . 45.0 mm -62.46 -41.82 93.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.61 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -60.66 -41.98 96.09 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -62.32 -39.83 94.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -57.22 -44.59 83.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.06 -42.12 98.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.458 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.98 -40.05 95.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.701 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 24.5 mt -62.53 -43.41 98.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.636 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.83 -42.81 97.54 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.214 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -66.76 -40.92 88.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.445 0.641 . . . . 0.0 110.64 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.17 -11.3 60.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.286 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.662 ' HB2' HG21 ' C' ' 8' ' ' ILE . 56.3 p -59.58 -19.85 51.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.452 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p -79.89 -14.7 58.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.135 0.493 . . . . 0.0 110.594 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.491 ' C ' ' H ' ' C' ' 2' ' ' ASN . 48.7 m . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.745 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.516 -0.331 0 CA-C-O 121.102 0.477 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' ASN . . . . . 0.491 ' H ' ' C ' ' B' ' 20' ' ' SER . 15.7 p-10 -59.82 150.68 67.15 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.345 -178.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -57.24 -28.47 79.72 Favored 'Trans proline' 0 N--CA 1.504 2.127 0 C-N-CA 122.529 2.152 . . . . 0.0 112.346 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.5 -13.19 27.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.533 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.95 -34.02 69.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.124 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.09 -39.68 93.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.973 0.416 . . . . 0.0 110.4 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.56 -36.12 83.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.057 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . 0.662 HG21 ' HB2' ' B' ' 18' ' ' SER . 43.8 mm -62.35 -42.03 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.657 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 93.4 m -60.63 -42.15 96.33 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -62.25 -39.61 93.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.63 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -57.57 -44.21 85.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.554 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.13 -42.2 99.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.443 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.05 -40.13 95.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.712 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 25.3 mt -62.62 -43.36 99.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.589 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.41 ' O ' ' OG ' ' C' ' 18' ' ' SER . 90.1 mt -63.84 -42.84 97.5 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.361 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.68 -40.78 88.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.407 0.622 . . . . 0.0 110.667 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -70.36 -11.46 60.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.271 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' SER . . . . . 0.661 ' HB2' HG21 ' A' ' 8' ' ' ILE . 54.4 p -59.68 -19.8 52.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.396 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -79.79 -14.46 58.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.682 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 2' ' ' ASN . 56.9 m . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.573 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.464 0.258 0 CA-C-O 121.101 0.477 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.457 ' OD1' ' OG ' ' C' ' 20' ' ' SER . 0.4 OUTLIER -64.03 156.18 75.25 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.038 -179.775 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.49 -23.16 30.44 Favored 'Trans proline' 0 N--CA 1.503 2.034 0 C-N-CA 122.225 1.95 . . . . 0.0 111.908 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.67 -13.03 27.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.0 0.428 . . . . 0.0 110.404 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.31 -30.29 66.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.218 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.06 -40.28 95.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.879 0.371 . . . . 0.0 110.191 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.426 ' OE1' ' NH1' ' A' ' 10' ' ' ARG . 49.2 tp10 -64.87 -38.23 90.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.04 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.6 mm -61.96 -41.94 92.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.539 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.8 m -60.68 -42.28 96.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.03 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.426 ' NH1' ' OE1' ' A' ' 7' ' ' GLU . 59.8 ttp180 -61.78 -42.29 98.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.976 0.417 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.1 t -60.85 -37.75 83.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.202 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.57 -44.14 97.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.201 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.71 -40.16 94.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.252 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.12 -40.98 99.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.047 0.451 . . . . 0.0 110.313 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.9 mt -64.47 -40.69 96.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.168 0.508 . . . . 0.0 110.439 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.74 -29.59 69.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.806 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.86 -8.28 10.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.221 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.7 m -56.49 -32.35 64.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.41 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.6 p -80.67 -9.94 59.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.775 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.462 ' OG ' ' OD1' ' B' ' 2' ' ' ASN . 25.3 p . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.622 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 120.989 0.423 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.462 ' OD1' ' OG ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -64.8 155.87 81.19 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.113 -179.753 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.15 -23.35 28.96 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.313 2.008 . . . . 0.0 111.953 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -62.64 -12.92 26.23 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.084 0.469 . . . . 0.0 110.52 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.4 -30.39 66.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.189 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.9 -40.17 94.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.943 0.401 . . . . 0.0 110.018 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.415 ' OE1' ' NH1' ' B' ' 10' ' ' ARG . 48.6 tp10 -64.89 -38.22 90.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.047 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 44.8 mm -62.08 -41.97 93.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.538 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.1 m -60.61 -42.2 96.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.244 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.415 ' NH1' ' OE1' ' B' ' 7' ' ' GLU . 59.9 ttp180 -61.86 -42.18 98.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.243 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 t -60.92 -37.5 82.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.325 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.81 -43.98 97.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.245 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.88 -40.06 94.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.258 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.18 -41.05 99.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.049 0.452 . . . . 0.0 110.283 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.41 -40.84 96.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.192 0.52 . . . . 0.0 110.261 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.48 -29.91 70.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.814 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.8 -8.21 10.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.252 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 68.3 m -56.32 -32.32 64.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.344 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 89.5 p -80.53 -10.41 59.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.831 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.47 ' OG ' ' OD1' ' C' ' 2' ' ' ASN . 27.8 p . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.526 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.465 0.283 0 CA-C-O 121.13 0.49 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' ASN . . . . . 0.47 ' OD1' ' OG ' ' B' ' 20' ' ' SER . 0.4 OUTLIER -63.89 156.03 75.02 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.166 -179.802 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.13 -23.4 29.06 Favored 'Trans proline' 0 N--CA 1.501 1.966 0 C-N-CA 122.278 1.985 . . . . 0.0 111.949 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.49 -12.94 25.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.049 0.452 . . . . 0.0 110.503 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.45 66.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.193 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.9 -40.15 94.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.904 0.383 . . . . 0.0 110.031 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . 0.433 ' OE1' ' NH1' ' C' ' 10' ' ' ARG . 48.9 tp10 -64.99 -38.27 90.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.964 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 45.5 mm -62.11 -41.79 92.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.543 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 99.1 m -60.78 -42.16 96.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.127 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.433 ' NH1' ' OE1' ' C' ' 7' ' ' GLU . 59.8 ttp180 -61.85 -42.2 98.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 110.201 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 22.6 t -60.81 -37.89 83.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.277 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.67 -44.07 97.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.255 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.48 -40.24 93.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.282 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.26 -40.95 98.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.05 0.452 . . . . 0.0 110.17 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.49 -40.75 96.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.146 0.498 . . . . 0.0 110.364 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.32 -29.94 70.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.77 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . 0.409 ' O ' ' OG ' ' C' ' 20' ' ' SER . 97.7 m-20 -63.81 -8.32 10.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.311 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -56.42 -32.26 64.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.34 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 87.2 p -80.59 -10.32 59.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.812 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.457 ' OG ' ' OD1' ' A' ' 2' ' ' ASN . 24.7 p . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.699 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.4 mttp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.031 0.443 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' C' ' 20' ' ' SER . 31.0 p-10 -65.87 149.03 97.96 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.093 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -65.47 -19.62 60.96 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.277 1.985 . . . . 0.0 112.283 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.84 -17.85 63.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.631 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.67 -32.65 69.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.089 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.01 -37.23 84.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.323 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -62.48 -40.61 97.24 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.5 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.3 mp -62.36 -39.73 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.885 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.3 m -60.15 -42.27 94.52 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.442 ' NH2' HD11 ' A' ' 14' ' ' LEU . 70.1 ttp85 -62.2 -40.21 95.32 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.0 t -55.36 -43.09 74.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.102 0.477 . . . . 0.0 110.442 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.38 -38.98 88.98 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.654 -0.418 . . . . 0.0 109.958 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -60.48 -38.46 84.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.463 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.442 HD11 ' NH2' ' A' ' 10' ' ' ARG . 81.9 mt -61.6 -44.75 96.42 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.446 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 15' ' ' LEU . 9.3 mp -68.19 -37.21 80.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.04 0.448 . . . . 0.0 110.794 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.39 -37.87 84.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.599 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.59 -10.82 49.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.534 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.7 p -60.53 -20.08 59.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.029 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.3 m -80.52 -15.09 57.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.578 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.435 ' C ' ' H ' ' B' ' 2' ' ' ASN . 19.9 m . . . . . 0 C--N 1.32 -0.696 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.599 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 121.013 0.435 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.435 ' H ' ' C ' ' A' ' 20' ' ' SER . 30.3 p-10 -65.85 149.2 97.77 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.191 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.63 -19.61 60.0 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.393 2.062 . . . . 0.0 112.126 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.95 -17.86 63.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.61 -32.8 69.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.135 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.92 -37.19 83.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.348 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -62.38 -40.69 97.28 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.5 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.3 mp -62.23 -39.9 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.866 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.5 m -60.19 -42.2 94.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.142 0.496 . . . . 0.0 109.721 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.434 ' NH2' HD11 ' B' ' 14' ' ' LEU . 70.4 ttp85 -62.29 -40.43 96.26 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 47.4 t -54.9 -43.27 73.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.098 0.475 . . . . 0.0 110.577 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.32 -38.97 88.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.956 0.408 . . . . 0.0 109.906 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -60.36 -38.61 84.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.469 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.434 HD11 ' NH2' ' B' ' 10' ' ' ARG . 82.9 mt -61.68 -44.74 96.36 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.506 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.51 HD12 ' N ' ' B' ' 15' ' ' LEU . 9.1 mp -68.12 -37.4 81.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.116 0.484 . . . . 0.0 110.881 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.41 -37.8 84.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.678 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.44 -10.68 46.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.573 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 83.8 p -60.67 -19.89 59.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.8 m -80.43 -15.01 57.8 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.591 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.422 ' C ' ' H ' ' C' ' 2' ' ' ASN . 19.3 m . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.447 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.89 0.376 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' B' ' 20' ' ' SER . 30.0 p-10 -65.7 149.24 97.6 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.09 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.64 -19.61 59.95 Favored 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.345 2.03 . . . . 0.0 112.083 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.96 -17.7 63.53 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.018 0.437 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.47 -32.81 69.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.066 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.94 -37.24 83.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.404 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -62.52 -40.7 97.59 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . 0.496 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.3 mp -62.27 -39.92 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.908 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.6 m -59.95 -42.5 94.17 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.438 ' NH2' HD11 ' C' ' 14' ' ' LEU . 70.4 ttp85 -61.98 -40.59 96.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 49.0 t -54.9 -43.32 73.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.069 0.461 . . . . 0.0 110.482 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.2 -38.99 88.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.006 0.431 . . . . 0.0 110.016 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -60.39 -38.61 84.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . 0.438 HD11 ' NH2' ' C' ' 10' ' ' ARG . 82.8 mt -61.63 -44.73 96.43 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.495 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.499 ' N ' HD12 ' C' ' 15' ' ' LEU . 9.3 mp -68.15 -37.32 80.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.042 0.449 . . . . 0.0 110.862 178.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.3 -37.91 84.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.701 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.69 -10.55 47.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.583 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 84.1 p -60.55 -20.19 59.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.016 0.436 . . . . 0.0 110.889 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 73.5 m -80.52 -14.6 58.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.634 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 2' ' ' ASN . 21.7 m . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.581 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.0 mttp . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.105 0.478 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -65.8 154.48 88.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.082 -178.752 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.42 -26.06 60.92 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.394 2.062 . . . . 0.0 112.015 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.09 -16.14 50.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.303 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.63 -28.98 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.253 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.24 -38.44 89.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.152 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.68 -39.73 94.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.191 0.519 . . . . 0.0 109.808 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -62.26 -41.71 92.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.895 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -59.31 -41.64 89.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.853 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.37 -41.86 97.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.981 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.31 -36.66 84.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.141 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -59.11 -44.64 91.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.064 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.85 -40.12 96.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.235 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.07 -41.31 99.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.84 -40.88 97.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.626 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.69 -37.68 87.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.386 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.08 -10.28 29.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.36 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.5 p -58.21 -32.04 67.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.573 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.8 m -84.52 -14.36 49.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.737 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.627 179.551 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.977 0.418 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.506 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 0.1 OUTLIER -65.3 154.5 87.3 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.005 -178.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.31 -25.93 59.22 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.393 2.062 . . . . 0.0 112.123 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.0 -16.26 50.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.268 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.52 -28.99 65.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.15 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.28 -38.26 88.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.915 0.388 . . . . 0.0 110.185 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -62.83 -39.63 94.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.17 0.509 . . . . 0.0 109.851 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.538 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.5 mp -62.53 -41.69 92.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.948 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 98.4 m -59.46 -41.57 90.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.983 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -61.42 -41.66 97.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.963 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.93 -36.19 83.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.425 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -59.3 -44.29 92.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.991 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.05 -40.15 96.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.177 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.02 -41.26 99.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.87 -40.8 97.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.515 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.66 -37.74 87.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.378 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.08 -10.29 29.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.354 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 100.0 p -58.17 -31.91 67.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.3 m -84.58 -13.93 50.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.83 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.882 179.588 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 C--O 1.234 0.249 0 CA-C-O 121.009 0.433 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' C' ' 2' ' ' ASN . 0.1 OUTLIER -64.96 154.31 86.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.079 -178.701 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.43 -25.7 59.11 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 122.395 2.063 . . . . 0.0 111.993 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.33 -16.2 52.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.32 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.51 -28.89 65.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.18 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.21 -38.4 89.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.178 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -62.69 -39.8 95.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.139 0.495 . . . . 0.0 109.763 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . 0.527 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.5 mp -62.38 -41.67 92.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.002 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -59.43 -41.53 89.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.95 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.45 -41.82 97.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.99 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.41 -36.49 84.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.223 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -59.16 -44.47 92.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.04 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.05 -40.25 97.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.322 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 78.6 mt -63.0 -41.06 99.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.512 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.91 -40.98 97.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.524 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.57 -37.85 87.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.425 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.9 -10.72 30.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.406 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 96.5 p -58.0 -32.06 67.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.55 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 70.7 m -84.12 -14.02 51.42 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.719 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.951 179.614 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt . . . . . 0 N--CA 1.464 0.241 0 CA-C-O 120.951 0.405 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.431 HD22 ' C ' ' A' ' 2' ' ' ASN . 0.4 OUTLIER -60.93 154.92 56.91 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.083 -179.283 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.13 -24.57 41.54 Favored 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 122.59 2.193 . . . . 0.0 111.907 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.23 -11.59 15.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.345 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.69 -28.58 63.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.09 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.13 -40.92 97.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.392 . . . . 0.0 110.429 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.4 -36.47 84.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.479 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.3 mm -62.57 -42.69 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.828 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.6 m -60.98 -41.92 97.34 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.948 -0.389 . . . . 0.0 109.948 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.499 ' NH2' HD11 ' A' ' 14' ' ' LEU . 70.1 ttp85 -62.08 -41.99 98.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.136 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 t -56.97 -40.91 77.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.032 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.12 -42.97 99.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.212 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.28 -40.98 96.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.576 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.499 HD11 ' NH2' ' A' ' 10' ' ' ARG . 97.7 mt -63.03 -43.08 99.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.916 0.389 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.89 -39.53 93.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.135 0.493 . . . . 0.0 110.718 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.25 -35.14 78.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.524 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.18 -9.18 15.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.162 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.7 p -58.44 -26.06 62.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.8 0.333 . . . . 0.0 110.69 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.0 p -86.03 -15.67 40.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.978 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.627 179.488 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt . . . . . 0 C--O 1.234 0.254 0 CA-C-O 120.917 0.389 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.432 HD22 ' C ' ' B' ' 2' ' ' ASN . 0.4 OUTLIER -60.52 154.4 55.45 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.033 -179.265 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.77 -24.3 37.4 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 122.573 2.182 . . . . 0.0 112.031 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.09 -11.7 15.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.473 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.7 -28.57 63.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.09 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.06 -40.94 97.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.396 . . . . 0.0 110.376 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.46 -36.56 84.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.094 0.473 . . . . 0.0 110.538 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 33.3 mm -62.43 -42.46 95.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.732 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.4 m -61.16 -41.91 97.61 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.477 ' NH2' HD11 ' B' ' 14' ' ' LEU . 69.6 ttp85 -62.02 -42.19 98.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 t -56.45 -41.14 75.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.235 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -62.21 -42.51 99.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.141 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.7 -40.72 96.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.685 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.477 HD11 ' NH2' ' B' ' 10' ' ' ARG . 97.3 mt -63.61 -42.95 98.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.348 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.94 -39.45 93.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.181 0.515 . . . . 0.0 110.599 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.38 -35.4 79.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.485 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.84 -9.87 17.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.271 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 87.7 p -58.27 -26.46 62.99 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.732 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 92.1 p -85.34 -16.09 41.11 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.411 ' OG ' ' OD1' ' C' ' 2' ' ' ASN . 17.1 t . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.714 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.905 0.383 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' ASN . . . . . 0.44 ' C ' HD22 ' C' ' 2' ' ' ASN . 0.4 OUTLIER -60.82 154.4 58.7 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.065 -179.191 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.68 -24.28 36.63 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 122.532 2.154 . . . . 0.0 111.986 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.07 -11.4 13.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.332 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.88 -29.05 64.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.2 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.89 -40.63 96.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.957 0.408 . . . . 0.0 110.387 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -65.66 -36.73 84.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.086 0.47 . . . . 0.0 110.728 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.35 -42.32 95.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 92.8 m -61.15 -41.84 97.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.013 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.504 ' NH2' HD11 ' C' ' 14' ' ' LEU . 70.2 ttp85 -62.25 -41.78 98.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.988 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 t -56.75 -40.9 76.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 0.0 110.273 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.19 -42.77 99.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.197 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.52 -40.61 95.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.555 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . 0.504 HD11 ' NH2' ' C' ' 10' ' ' ARG . 97.1 mt -63.56 -42.69 98.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.39 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.42 -39.65 92.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.174 0.512 . . . . 0.0 110.6 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.19 -35.33 78.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.493 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.95 -9.62 16.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.097 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 88.2 p -58.33 -27.04 63.77 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.574 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 89.2 p -85.06 -15.49 43.84 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.948 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.817 179.587 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.985 0.421 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.512 ' ND2' ' OG ' ' C' ' 20' ' ' SER . 86.3 m-20 -61.85 148.82 86.97 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.898 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.89 -19.19 58.52 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.581 2.187 . . . . 0.0 111.829 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.06 -12.48 51.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.414 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.42 -28.05 51.78 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.171 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.61 -39.09 92.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.084 0.468 . . . . 0.0 110.143 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -65.97 -38.63 89.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.193 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.486 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.8 mp -60.94 -42.2 91.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.912 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.5 m -59.88 -43.2 94.89 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -62.75 -38.74 91.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.204 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -54.89 -46.41 74.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.392 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.1 -41.46 98.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.391 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -64.4 -40.83 96.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.399 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.16 -42.21 99.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.754 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.72 -39.89 94.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.671 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.47 -36.53 82.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.504 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -64.11 -9.28 15.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.369 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.5 p -57.54 -32.07 66.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.697 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -90.25 -12.3 38.34 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.977 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.536 ' OG ' ' ND2' ' B' ' 2' ' ' ASN . 85.2 p . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.838 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.983 0.421 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.536 ' ND2' ' OG ' ' A' ' 20' ' ' SER . 85.3 m-20 -61.96 149.13 86.74 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.926 -178.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.06 -19.37 57.47 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 122.546 2.164 . . . . 0.0 111.787 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.85 -12.45 48.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.386 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.39 -28.24 52.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.057 -178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.56 -38.92 91.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.065 0.459 . . . . 0.0 110.084 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -66.01 -38.57 88.79 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.243 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.489 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.8 mp -61.16 -42.37 93.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.09 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.9 m -59.81 -42.84 94.36 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.6 mtp85 -62.87 -38.72 91.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.067 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 t -54.96 -46.45 75.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.562 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.1 -41.7 98.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.322 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -64.17 -40.94 97.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.363 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.14 -42.39 99.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.746 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.54 -39.81 94.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.205 0.526 . . . . 0.0 110.559 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.37 -36.75 83.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.442 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.98 -9.27 14.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.419 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 99.9 p -57.43 -31.91 66.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.698 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.0 m -90.11 -13.01 36.65 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.093 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.539 ' OG ' ' ND2' ' C' ' 2' ' ' ASN . 84.2 p . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.815 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.982 0.42 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' ASN . . . . . 0.539 ' ND2' ' OG ' ' B' ' 20' ' ' SER . 86.9 m-20 -61.8 148.5 87.38 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.917 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.54 -19.5 60.53 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.539 2.159 . . . . 0.0 111.872 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.96 -12.25 47.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.517 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.58 -28.33 54.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.159 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.33 -38.74 90.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.108 0.48 . . . . 0.0 110.09 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -66.22 -38.78 88.78 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.189 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . 0.489 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.8 mp -60.89 -42.02 91.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.873 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -60.13 -42.98 95.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.242 0.544 . . . . 0.0 109.702 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 60.7 mtp85 -62.92 -38.75 92.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.121 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 t -54.99 -46.51 75.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.521 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.82 -41.35 97.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.334 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -64.59 -40.62 95.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.327 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.27 -42.28 99.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.83 -39.9 94.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.667 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.55 -36.37 82.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.447 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -64.08 -9.26 15.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.363 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 97.3 p -57.44 -32.15 66.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.926 0.394 . . . . 0.0 110.611 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -89.79 -12.97 37.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.981 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.512 ' OG ' ' ND2' ' A' ' 2' ' ' ASN . 82.8 p . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.049 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 C--O 1.236 0.343 0 CA-C-O 121.058 0.456 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.52 HD22 ' HB2' ' A' ' 4' ' ' GLU . 31.6 t30 -62.21 137.28 95.81 Favored Pre-proline 0 CA--C 1.544 0.749 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.435 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.43 -23.71 40.02 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.612 2.208 . . . . 0.0 112.122 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.52 ' HB2' HD22 ' A' ' 2' ' ' ASN . 98.5 mt-10 -62.27 -15.09 45.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.58 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.47 -26.72 63.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.293 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.32 -37.77 84.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.3 -38.92 91.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.413 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.613 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -62.57 -41.03 90.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.865 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.1 m -59.61 -41.52 90.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.822 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.9 mtp85 -62.5 -40.07 95.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.444 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.0 m -59.43 -41.94 90.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.376 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.85 -45.92 90.92 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.104 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.97 -39.75 94.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.39 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.9 mt -62.22 -41.76 98.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.804 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.59 -40.83 97.94 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.05 0.452 . . . . 0.0 110.485 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.17 -37.58 87.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.582 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.97 -10.33 28.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.413 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.2 p -58.15 -31.88 67.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.767 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -83.77 -17.64 40.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.147 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.756 179.449 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.0 0.429 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.496 HD22 ' HB2' ' B' ' 4' ' ' GLU . 32.3 t30 -61.9 137.66 95.41 Favored Pre-proline 0 CA--C 1.543 0.701 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.397 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.48 -23.85 41.14 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 122.584 2.189 . . . . 0.0 112.161 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.496 ' HB2' HD22 ' B' ' 2' ' ' ASN . 98.9 mt-10 -62.02 -15.14 42.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.552 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.7 -26.69 64.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.163 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.16 -37.63 83.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.459 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.7 -39.36 93.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.67 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.592 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.7 mp -62.21 -40.66 88.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.109 0.48 . . . . 0.0 109.813 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 97.4 m -59.83 -41.65 91.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.816 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -62.25 -39.93 94.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.447 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 m -59.43 -42.22 91.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.51 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.62 -45.82 90.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.154 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.19 -39.88 94.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.457 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 25.0 mt -62.04 -41.92 98.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.814 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.49 -40.7 97.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.08 0.467 . . . . 0.0 110.37 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -63.08 -37.69 88.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.489 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.1 -10.38 30.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.567 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 90.9 p -58.25 -32.02 67.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.782 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -82.9 -18.4 40.32 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.15 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.44 ' C ' ' H ' ' C' ' 2' ' ' ASN . 5.5 t . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.498 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp . . . . . 0 CA--C 1.516 -0.358 0 CA-C-O 120.964 0.411 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' ASN . . . . . 0.528 HD22 ' HB2' ' C' ' 4' ' ' GLU . 33.1 t30 -62.25 137.21 95.85 Favored Pre-proline 0 N--CA 1.445 -0.72 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.565 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.72 -23.86 43.23 Favored 'Trans proline' 0 N--CA 1.5 1.879 0 C-N-CA 122.565 2.176 . . . . 0.0 112.167 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . 0.528 ' HB2' HD22 ' C' ' 2' ' ' ASN . 98.8 mt-10 -61.99 -14.97 40.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.475 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.84 -26.78 64.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.276 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.17 -37.51 83.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.47 -39.41 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 0.0 110.493 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . 0.594 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.7 mp -62.04 -41.05 89.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.134 0.493 . . . . 0.0 109.936 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 96.2 m -59.74 -41.5 91.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.769 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -62.35 -39.82 94.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.386 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 23.1 m -59.68 -42.5 93.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.461 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.5 -45.63 91.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.077 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.1 -39.81 94.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.449 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.05 -42.26 99.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.801 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.34 -40.85 98.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.097 0.475 . . . . 0.0 110.475 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.03 -37.71 88.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.612 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.96 -10.24 27.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.425 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 95.5 p -58.01 -31.99 67.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 72.7 m -83.16 -18.07 40.7 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.171 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 2' ' ' ASN . 6.4 t . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.814 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' C' ' 20' ' ' SER . 35.5 p-10 -60.87 146.87 86.27 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.603 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.43 -24.1 50.01 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.676 2.251 . . . . 0.0 112.45 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.403 ' OE2' ' N ' ' A' ' 4' ' ' GLU . 57.9 mp0 -64.12 -12.92 44.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.579 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.29 -31.75 67.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.304 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.72 -40.31 94.62 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.074 0.464 . . . . 0.0 110.608 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -64.76 -35.71 81.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.17 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.5 mm -61.19 -39.52 82.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.769 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.9 m -59.76 -41.39 90.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.801 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -61.86 -39.6 92.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.403 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.0 t -55.25 -45.02 76.08 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.57 -41.34 98.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.294 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -62.83 -39.96 95.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.355 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.6 mt -62.21 -42.33 99.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.528 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 15' ' ' LEU . 98.0 mt -65.03 -40.29 94.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.483 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.53 -36.78 83.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.352 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.47 -9.33 17.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.367 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.6 t -56.66 -33.07 66.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.456 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.1 p -78.69 -13.44 59.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.422 ' C ' ' H ' ' B' ' 2' ' ' ASN . 20.6 m . . . . . 0 C--N 1.32 -0.703 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.623 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.909 0.385 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 20' ' ' SER . 35.7 p-10 -60.83 146.77 86.21 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.651 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.26 -23.81 51.61 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.665 2.243 . . . . 0.0 112.389 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.438 ' OE2' ' N ' ' B' ' 4' ' ' GLU . 57.8 mp0 -64.25 -12.91 45.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.597 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.4 -31.88 68.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.3 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.61 -40.05 93.44 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.104 0.478 . . . . 0.0 110.605 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -64.97 -35.98 82.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.081 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 48.6 mm -61.09 -39.0 80.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.683 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.5 m -60.17 -41.54 93.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.823 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -61.95 -39.09 90.91 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.342 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 22.2 t -56.09 -44.46 79.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.382 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.06 -40.75 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.24 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.18 -40.13 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.199 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 17.3 mt -62.15 -42.59 99.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.457 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.79 -40.23 94.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.405 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.75 -37.5 86.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.437 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.14 -9.18 15.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.163 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.6 t -56.56 -33.04 65.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.473 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.1 p -78.45 -13.96 59.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.42 ' C ' ' H ' ' C' ' 2' ' ' ASN . 20.3 m . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.597 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.233 0.237 0 CA-C-O 120.844 0.354 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' ASN . . . . . 0.42 ' H ' ' C ' ' B' ' 20' ' ' SER . 35.9 p-10 -60.89 146.91 86.31 Favored Pre-proline 0 N--CA 1.451 -0.382 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.695 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.48 -23.48 50.4 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.666 2.244 . . . . 0.0 112.382 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . 0.458 ' OE2' ' N ' ' C' ' 4' ' ' GLU . 57.2 mp0 -64.95 -12.85 54.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.621 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.48 -31.82 68.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.173 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.57 -40.26 94.09 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.09 0.472 . . . . 0.0 110.52 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -64.88 -36.0 82.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.193 0.521 . . . . 0.0 110.207 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 49.3 mm -61.07 -38.91 80.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.886 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 85.3 m -60.21 -41.39 92.9 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -61.79 -39.7 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.316 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 23.7 t -55.25 -44.74 75.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.919 0.39 . . . . 0.0 110.343 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.7 -40.83 98.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.238 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.06 -40.4 97.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.208 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.6 mt -62.06 -42.57 99.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.537 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.67 -40.28 95.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.472 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.7 -37.32 86.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.455 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.8 -9.05 12.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.244 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 35.2 t -56.94 -32.8 66.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.601 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 87.2 p -78.41 -13.91 59.63 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 2' ' ' ASN . 20.4 m . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.549 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.762 0.315 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -63.79 151.58 88.63 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.558 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.24 -20.33 69.71 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 C-N-CA 122.921 2.414 . . . . 0.0 111.984 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -65.08 -12.24 48.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.275 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.16 -25.08 61.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.209 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.39 -37.61 81.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.399 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -64.08 -37.41 87.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.572 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.564 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.6 mp -61.59 -44.74 99.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.943 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.2 m -61.18 -41.69 97.24 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -62.65 -40.06 95.84 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 t -54.61 -48.14 72.56 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.285 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.57 -43.48 98.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.318 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -62.28 -42.09 99.05 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.419 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.1 mt -62.78 -41.21 99.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.216 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.52 -39.51 91.9 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.113 0.483 . . . . 0.0 110.591 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.06 -36.21 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.382 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.88 -9.0 12.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.506 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.2 t -56.08 -33.51 65.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.541 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.4 p -78.91 -10.27 59.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.711 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.647 179.466 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.797 0.332 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 37.9 p-10 -63.5 152.19 86.14 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.588 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.44 -19.9 68.84 Favored 'Trans proline' 0 C--N 1.304 -1.813 0 C-N-CA 122.849 2.366 . . . . 0.0 111.997 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.05 -13.06 57.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.33 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.72 -25.02 59.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.177 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.45 -37.96 82.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.279 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -63.78 -37.82 88.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.538 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.56 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.6 mp -61.42 -44.53 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.916 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 92.1 m -61.4 -41.74 97.62 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -62.43 -39.79 94.47 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 7.2 t -54.99 -48.2 73.62 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.292 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.49 -43.57 98.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.266 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -62.24 -42.02 98.94 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.403 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.62 -41.51 99.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.348 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.29 -39.62 92.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.134 0.492 . . . . 0.0 110.571 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.1 -36.12 80.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.79 -8.97 12.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.402 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 39.6 t -56.28 -33.87 65.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.543 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 91.6 p -78.58 -10.55 59.77 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.735 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.652 179.401 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.889 0.376 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -63.61 151.78 87.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.575 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.22 -19.81 67.99 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.862 2.375 . . . . 0.0 112.016 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.38 -12.56 53.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.155 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.94 -25.23 60.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.222 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.42 -37.26 80.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.462 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -64.49 -37.98 89.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.634 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . 0.568 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.5 mp -61.37 -44.39 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 81.2 m -61.2 -42.01 97.83 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -62.61 -39.55 94.14 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 7.6 t -54.88 -48.09 73.44 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.842 0.353 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.75 -43.37 98.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.188 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.44 -42.15 99.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.276 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 mt -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.445 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.19 -39.3 92.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.621 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.98 -36.95 82.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.467 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.12 -8.76 8.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.403 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 42.1 t -56.16 -33.82 65.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.559 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 92.0 p -78.84 -11.18 59.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.714 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.64 179.512 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 120.997 0.427 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 10.7 p-10 -60.14 150.82 69.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.068 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.439 ' O ' ' OE1' ' A' ' 6' ' ' GLU . 36.9 Cg_endo -64.44 -19.1 65.0 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.531 2.154 . . . . 0.0 111.931 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.57 -11.96 40.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.503 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.52 -31.92 66.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.125 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' A' ' 3' ' ' PRO . 1.9 mp0 -61.73 -39.63 92.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 110.107 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -64.47 -38.78 92.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.007 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.543 HG21 ' HB3' ' C' ' 18' ' ' SER . 37.4 mm -62.63 -42.2 95.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.2 m -60.73 -42.8 98.02 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -63.91 -38.6 91.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.194 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 t -53.89 -48.37 70.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.116 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.0 -42.1 97.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.14 0.495 . . . . 0.0 110.735 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.43 -38.75 92.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.709 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.03 -41.75 98.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.597 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.81 -39.14 93.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.989 0.423 . . . . 0.0 110.5 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.92 -37.26 84.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.673 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.52 -10.72 27.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.43 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.563 ' HB3' HG21 ' B' ' 8' ' ' ILE . 93.6 p -59.73 -21.81 61.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.937 0.398 . . . . 0.0 110.907 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m -81.17 -17.12 50.84 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.419 ' C ' ' H ' ' B' ' 2' ' ' ASN . 50.4 m . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.79 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.98 0.419 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.482 ' N ' ' OD1' ' B' ' 2' ' ' ASN . 10.3 p-10 -60.07 150.9 68.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.083 -178.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . 0.417 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 37.0 Cg_endo -64.31 -18.89 64.8 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.555 2.17 . . . . 0.0 111.935 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.92 -12.2 46.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.553 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.63 -31.79 66.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.042 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.417 ' OE1' ' O ' ' B' ' 3' ' ' PRO . 1.7 mp0 -61.71 -39.77 92.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.885 0.374 . . . . 0.0 110.093 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -64.48 -38.81 92.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.989 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.563 HG21 ' HB3' ' A' ' 18' ' ' SER . 37.7 mm -62.7 -42.03 94.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 -178.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 78.3 m -60.54 -42.99 97.63 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -63.4 -38.78 92.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.451 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 18.8 t -54.16 -48.4 70.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.352 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -63.87 -41.99 97.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.112 0.482 . . . . 0.0 110.584 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -64.41 -39.03 93.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.78 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 25.9 mt -61.88 -41.9 98.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.595 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.68 -39.2 93.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.054 0.454 . . . . 0.0 110.379 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.02 -36.79 82.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.618 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.98 -10.66 31.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.585 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.575 ' HB3' HG21 ' C' ' 8' ' ' ILE . 92.1 p -59.63 -22.04 61.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.903 0.382 . . . . 0.0 110.998 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 66.2 m -81.0 -17.22 51.1 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.803 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.425 ' C ' ' H ' ' C' ' 2' ' ' ASN . 40.3 m . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.688 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.955 0.407 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' C' ' 2' ' ' ASN . 11.0 p-10 -60.1 150.91 68.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.142 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' PRO . . . . . 0.428 ' O ' ' OE1' ' C' ' 6' ' ' GLU . 36.6 Cg_endo -64.32 -19.12 65.29 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.51 2.14 . . . . 0.0 112.009 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.64 -11.94 40.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.562 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.62 -32.13 66.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.121 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' C' ' 3' ' ' PRO . 1.7 mp0 -61.71 -39.48 91.64 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.114 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -64.67 -38.88 92.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.074 0.464 . . . . 0.0 110.077 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . 0.575 HG21 ' HB3' ' B' ' 18' ' ' SER . 37.3 mm -62.55 -42.04 94.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -178.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 80.4 m -60.68 -42.81 97.85 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -63.71 -38.62 91.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.245 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 17.3 t -53.99 -48.27 70.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.204 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -64.18 -42.01 96.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.977 0.418 . . . . 0.0 110.774 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.6 -38.77 92.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.83 -41.95 98.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.648 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.87 -39.16 93.1 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.057 0.456 . . . . 0.0 110.442 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.98 -36.91 82.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.632 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.66 -10.84 29.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.476 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' SER . . . . . 0.543 ' HB3' HG21 ' A' ' 8' ' ' ILE . 93.0 p -59.77 -21.58 60.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.953 0.406 . . . . 0.0 110.925 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 72.5 m -80.95 -17.52 50.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.441 ' C ' ' H ' ' A' ' 2' ' ' ASN . 39.8 m . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.847 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 N--CA 1.466 0.348 0 CA-C-O 121.171 0.51 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.9 155.03 73.85 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.139 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.19 -23.97 39.22 Favored 'Trans proline' 0 N--CA 1.501 1.933 0 C-N-CA 122.482 2.121 . . . . 0.0 111.968 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.55 -13.25 28.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.414 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.34 -29.16 65.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.33 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.93 -40.79 96.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.126 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.71 -38.36 88.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.89 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.7 mm -62.64 -42.02 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.819 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.5 m -60.66 -42.65 97.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.176 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.529 ' NH2' HD11 ' A' ' 14' ' ' LEU . 64.3 ttp85 -62.43 -41.21 98.55 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.7 t -60.03 -41.2 91.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.392 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.96 -41.65 96.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.069 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -62.43 -39.82 94.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.259 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.529 HD11 ' NH2' ' A' ' 10' ' ' ARG . 90.9 mt -63.37 -41.23 98.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.036 0.446 . . . . 0.0 110.232 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.54 -39.87 94.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.192 0.52 . . . . 0.0 110.406 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.58 -33.06 74.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -62.4 -8.07 5.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.193 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.0 t -56.3 -34.01 66.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 64.2 m -81.16 -10.79 59.58 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.747 179.52 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 121.192 0.52 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.65 155.06 71.51 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.124 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.02 -24.22 38.9 Favored 'Trans proline' 0 N--CA 1.5 1.903 0 C-N-CA 122.29 1.993 . . . . 0.0 112.052 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.61 -13.35 30.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.375 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.23 -29.3 65.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.289 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.0 -41.0 97.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 0.0 110.262 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -65.58 -38.35 89.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.062 0.458 . . . . 0.0 109.903 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 38.1 mm -62.62 -42.06 94.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.928 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 87.4 m -60.41 -42.56 96.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.075 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.532 ' NH2' HD11 ' B' ' 14' ' ' LEU . 64.5 ttp85 -62.15 -41.65 98.49 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 37.0 t -59.87 -41.13 90.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.592 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.04 -41.74 97.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.136 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -62.3 -39.82 94.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.208 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.532 HD11 ' NH2' ' B' ' 10' ' ' ARG . 89.8 mt -63.24 -41.52 99.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.07 0.462 . . . . 0.0 110.192 179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.53 -39.48 93.83 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.147 0.498 . . . . 0.0 110.409 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.62 -33.25 74.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.776 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.55 -8.12 5.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.187 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.6 t -56.13 -33.49 65.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.955 0.407 . . . . 0.0 110.399 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.0 m -81.04 -12.26 59.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.787 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.523 179.448 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 62.8 mttp . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 121.086 0.47 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.67 154.87 72.57 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.221 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.0 -23.85 37.01 Favored 'Trans proline' 0 N--CA 1.501 1.925 0 C-N-CA 122.327 2.018 . . . . 0.0 112.059 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -62.74 -13.29 31.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.455 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.35 -29.3 65.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.345 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.83 -40.91 96.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.992 0.425 . . . . 0.0 110.267 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -65.46 -38.31 89.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.028 0.442 . . . . 0.0 109.846 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 37.2 mm -62.59 -42.05 94.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.861 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 82.0 m -60.6 -42.61 97.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.16 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.545 ' NH2' HD11 ' C' ' 14' ' ' LEU . 64.7 ttp85 -62.31 -41.65 98.7 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 34.9 t -59.83 -40.91 90.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.477 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -61.24 -41.38 96.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.123 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -62.59 -39.88 95.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.235 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . 0.545 HD11 ' NH2' ' C' ' 10' ' ' ARG . 89.7 mt -63.35 -41.32 98.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.08 0.467 . . . . 0.0 110.261 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.63 -39.79 94.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.258 0.552 . . . . 0.0 110.55 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.58 -33.29 74.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.68 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.46 -7.96 5.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.144 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 38.5 t -56.25 -33.84 65.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.535 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 67.8 m -80.71 -12.13 59.52 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.819 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.535 179.402 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.017 0.437 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.1 p-10 -61.18 149.96 80.76 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.546 -178.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -63.19 -24.23 72.68 Favored 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 122.701 2.267 . . . . 0.0 112.376 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 4' ' ' GLU . 56.2 mp0 -64.11 -13.06 45.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.652 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.14 -25.42 61.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.223 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -60.42 -35.89 76.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.018 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.461 ' CD ' HH11 ' A' ' 10' ' ' ARG . 48.8 tp10 -62.23 -39.96 94.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.992 0.425 . . . . 0.0 110.455 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.551 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -61.36 -42.41 93.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 86.7 m -60.56 -42.8 97.33 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.461 HH11 ' CD ' ' A' ' 7' ' ' GLU . 59.7 ttp180 -63.24 -41.27 99.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.095 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.4 t -55.07 -43.67 74.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.1 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.81 -40.12 96.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.248 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.63 -41.6 97.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.197 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.4 mt -62.74 -41.71 99.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.005 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.95 -39.71 94.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.508 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.24 -36.66 82.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.459 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.67 -10.68 28.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.474 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -59.11 -24.43 62.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.94 0.4 . . . . 0.0 110.626 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.6 t -83.98 -18.32 37.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.986 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.405 ' C ' ' H ' ' B' ' 2' ' ' ASN . 61.1 p . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.805 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.949 0.404 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.405 ' H ' ' C ' ' A' ' 20' ' ' SER . 44.3 p-10 -61.24 149.99 80.96 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.615 -178.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -63.66 -23.04 70.05 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.461 ' OE2' ' N ' ' B' ' 4' ' ' GLU . 54.9 mp0 -65.14 -12.79 54.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.681 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.36 -25.44 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.137 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -60.44 -35.73 76.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.096 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.462 ' CD ' HH11 ' B' ' 10' ' ' ARG . 49.3 tp10 -62.45 -39.51 93.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.921 0.391 . . . . 0.0 110.398 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.562 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.5 mp -61.7 -42.75 95.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 88.0 m -60.55 -42.74 97.18 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.462 HH11 ' CD ' ' B' ' 7' ' ' GLU . 59.5 ttp180 -63.09 -41.71 99.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.167 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 13.2 t -54.99 -42.72 72.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.263 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.52 -39.89 95.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.117 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.51 -41.79 97.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.217 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 mt -62.74 -41.61 99.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.26 -39.64 94.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.452 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.5 -36.0 81.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.334 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.37 -10.46 33.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.608 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 95.9 p -59.11 -25.75 64.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.741 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.1 t -82.37 -18.63 41.38 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.01 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.416 ' C ' ' H ' ' C' ' 2' ' ' ASN . 76.7 p . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.707 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.914 0.388 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' B' ' 20' ' ' SER . 46.3 p-10 -61.46 149.77 82.65 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.671 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.54 -23.52 70.57 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' C' ' 4' ' ' GLU . 55.7 mp0 -64.5 -12.9 48.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.759 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.06 -25.09 60.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.189 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -60.67 -35.64 76.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.106 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . 0.471 ' CD ' HH11 ' C' ' 10' ' ' ARG . 49.4 tp10 -62.67 -39.7 94.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.003 0.43 . . . . 0.0 110.306 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . 0.563 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.5 mp -61.74 -42.54 94.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 93.5 m -60.68 -43.0 98.23 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.471 HH11 ' CD ' ' C' ' 7' ' ' GLU . 59.2 ttp180 -62.79 -41.45 99.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.051 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 t -54.94 -43.2 73.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.297 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.36 -39.83 95.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.088 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.58 -41.98 98.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.263 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.61 -41.5 99.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.3 -39.76 94.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.584 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.46 -36.18 81.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.32 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.84 -10.88 31.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.395 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 94.4 p -59.07 -24.88 63.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.995 0.426 . . . . 0.0 110.814 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 21.2 t -83.33 -18.23 39.65 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.036 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 71.1 p . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.049 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.5 mttp . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.966 0.412 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.44 ' H ' ' C ' ' C' ' 20' ' ' SER . 19.3 p-10 -61.24 149.99 80.94 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.859 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.529 ' O ' ' OE2' ' A' ' 6' ' ' GLU . 33.0 Cg_endo -64.43 -21.39 66.39 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 122.679 2.253 . . . . 0.0 111.847 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -65.13 -12.49 51.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.204 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.69 -36.99 75.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.178 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.529 ' OE2' ' O ' ' A' ' 3' ' ' PRO . 15.8 mp0 -61.52 -37.63 84.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.892 0.377 . . . . 0.0 110.381 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.465 ' CD ' HH11 ' A' ' 10' ' ' ARG . 49.9 tp10 -63.24 -38.12 89.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.057 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.0 mm -62.19 -41.72 92.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.742 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.0 m -60.36 -42.37 95.61 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.465 HH11 ' CD ' ' A' ' 7' ' ' GLU . 57.4 ttp180 -62.86 -41.44 99.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.339 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.5 t -56.11 -44.07 78.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.915 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -61.9 -41.9 98.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.351 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -60.8 -40.34 92.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.182 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.85 -41.56 97.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.489 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.68 -42.14 95.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.986 0.422 . . . . 0.0 110.517 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.34 -38.53 91.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.629 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.36 -10.28 31.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.315 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.0 p -59.09 -21.66 59.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.697 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.9 t -80.8 -17.43 50.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.893 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.437 ' C ' ' H ' ' B' ' 2' ' ' ASN . 23.6 t . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.611 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.7 mttp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.855 0.36 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' A' ' 20' ' ' SER . 17.3 p-10 -61.2 149.74 81.53 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.82 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . 0.497 ' O ' ' OE2' ' B' ' 6' ' ' GLU . 32.7 Cg_endo -64.14 -21.79 67.6 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 122.643 2.229 . . . . 0.0 111.956 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.8 -12.77 51.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.209 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.46 -36.85 74.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.127 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.497 ' OE2' ' O ' ' B' ' 3' ' ' PRO . 13.6 mp0 -61.54 -37.27 83.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 110.451 178.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.508 ' CD ' HH11 ' B' ' 10' ' ' ARG . 50.0 tp10 -63.74 -38.34 90.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.031 0.443 . . . . 0.0 110.05 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 38.1 mm -62.0 -41.51 91.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.718 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 94.6 m -60.54 -42.5 96.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.508 HH11 ' CD ' ' B' ' 7' ' ' GLU . 57.0 ttp180 -62.45 -42.24 99.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.369 179.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 35.5 t -55.75 -43.55 76.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.251 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -62.08 -41.27 98.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.315 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -61.43 -40.07 93.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.219 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.02 -41.81 98.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.606 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.67 -41.93 95.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.028 0.442 . . . . 0.0 110.526 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.71 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.618 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -65.82 -9.97 33.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.215 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 91.1 p -59.28 -21.72 60.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.681 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 37.1 t -80.69 -17.38 51.31 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.895 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.439 ' C ' ' H ' ' C' ' 2' ' ' ASN . 23.0 t . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.622 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.886 0.374 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' ASN . . . . . 0.439 ' H ' ' C ' ' B' ' 20' ' ' SER . 16.6 p-10 -61.57 149.89 82.82 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.76 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' PRO . . . . . 0.52 ' O ' ' OE2' ' C' ' 6' ' ' GLU . 34.1 Cg_endo -64.47 -21.72 66.0 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 122.685 2.257 . . . . 0.0 111.929 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -64.73 -12.52 47.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.187 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.74 -36.99 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.181 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . 0.52 ' OE2' ' O ' ' C' ' 3' ' ' PRO . 15.4 mp0 -61.51 -37.34 83.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 110.402 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . 0.498 ' CD ' HH11 ' C' ' 10' ' ' ARG . 50.3 tp10 -63.65 -38.16 90.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.12 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 38.7 mm -62.07 -41.43 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -60.7 -42.5 97.32 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.498 HH11 ' CD ' ' C' ' 7' ' ' GLU . 57.4 ttp180 -62.6 -42.01 99.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.951 0.405 . . . . 0.0 110.293 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 35.5 t -55.94 -43.68 77.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.221 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.29 -41.24 98.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.281 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -61.49 -39.8 92.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.164 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.11 -41.76 98.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.505 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.78 -41.89 95.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.954 0.407 . . . . 0.0 110.472 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.82 -38.07 89.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.743 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.89 -10.03 34.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.362 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 90.8 p -59.2 -21.7 59.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.601 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 36.7 t -80.24 -17.96 50.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.883 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 2' ' ' ASN . 23.8 t . . . . . 0 C--N 1.32 -0.676 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.548 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt . . . . . 0 CA--C 1.516 -0.357 0 CA-C-O 121.106 0.479 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -66.99 154.73 91.86 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.069 -178.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -56.44 -21.1 35.9 Favored 'Trans proline' 0 N--CA 1.502 1.975 0 C-N-CA 122.313 2.009 . . . . 0.0 112.063 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.1 -15.81 47.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.515 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.75 -26.72 64.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.383 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.21 -38.11 85.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.306 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.521 ' CD ' HH11 ' A' ' 10' ' ' ARG . 49.7 tp10 -63.04 -38.79 92.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.307 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.538 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -61.44 -42.43 93.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.847 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.4 m -60.48 -43.42 96.98 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.896 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.521 HH11 ' CD ' ' A' ' 7' ' ' GLU . 60.2 ttp180 -63.49 -42.16 98.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.078 0.466 . . . . 0.0 110.501 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -56.7 -44.5 81.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.11 -42.3 98.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.374 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.63 -42.04 96.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.283 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.81 -42.07 99.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.776 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.93 -40.13 94.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.192 0.52 . . . . 0.0 110.451 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.6 -34.86 77.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.579 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.37 -9.33 11.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.411 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.4 m -57.61 -33.62 68.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.64 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -79.29 -16.1 56.92 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.669 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.476 179.746 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt . . . . . 0 CA--C 1.517 -0.32 0 CA-C-O 121.118 0.485 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 0.1 OUTLIER -66.89 154.75 91.52 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.206 -178.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -56.46 -21.29 36.93 Favored 'Trans proline' 0 N--CA 1.502 1.995 0 C-N-CA 122.373 2.049 . . . . 0.0 111.99 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.94 -15.87 46.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.87 -26.82 64.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.322 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.03 -38.07 84.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.394 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.523 ' CD ' HH11 ' B' ' 10' ' ' ARG . 49.7 tp10 -62.97 -38.82 92.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.903 0.382 . . . . 0.0 110.372 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.538 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.4 mp -61.63 -42.39 93.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.803 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 90.2 m -60.49 -43.44 96.99 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.79 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.523 HH11 ' CD ' ' B' ' 7' ' ' GLU . 60.6 ttp180 -63.77 -41.97 97.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.466 178.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 16.0 t -56.77 -44.44 81.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.814 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.32 -42.37 98.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.276 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.49 -41.87 95.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.139 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.8 -42.01 99.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.84 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.93 -39.98 94.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.182 0.515 . . . . 0.0 110.596 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.81 -34.64 77.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.469 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.25 -9.56 12.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.386 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 65.2 m -57.39 -33.6 68.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.122 0.486 . . . . 0.0 110.515 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -79.35 -16.04 56.93 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.476 179.721 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt . . . . . 0 CA--C 1.516 -0.361 0 CA-C-O 121.088 0.471 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' C' ' 2' ' ' ASN . 0.1 OUTLIER -66.98 154.71 91.86 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.11 -178.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.47 -21.3 37.05 Favored 'Trans proline' 0 N--CA 1.501 1.967 0 C-N-CA 122.393 2.062 . . . . 0.0 112.137 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.86 -15.77 44.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.537 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.81 -26.72 64.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.27 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.15 -38.23 85.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.444 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . 0.521 ' CD ' HH11 ' C' ' 10' ' ' ARG . 49.9 tp10 -63.07 -38.7 92.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.863 0.363 . . . . 0.0 110.277 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . 0.539 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.4 mp -61.68 -42.44 94.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.865 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 93.0 m -60.37 -43.48 96.54 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.857 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.521 HH11 ' CD ' ' C' ' 7' ' ' GLU . 60.4 ttp180 -63.58 -42.11 98.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.042 0.449 . . . . 0.0 110.318 178.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 11.1 t -56.57 -44.78 81.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.06 -42.29 98.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.329 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -60.54 -42.04 95.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.304 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.81 -42.02 99.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.749 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.79 -40.15 94.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.204 0.526 . . . . 0.0 110.527 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.62 -34.92 78.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.618 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.31 -9.23 10.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.448 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 68.6 m -57.66 -33.82 68.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -79.36 -16.24 56.6 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.794 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.609 179.826 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.097 0.475 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -65.48 153.68 89.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.95 -178.803 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.46 -25.51 58.41 Favored 'Trans proline' 0 N--CA 1.499 1.796 0 C-N-CA 122.458 2.105 . . . . 0.0 112.237 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.03 -19.99 63.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.506 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.38 -32.7 68.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.257 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.59 -36.3 80.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.175 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.518 ' CD ' HH11 ' A' ' 10' ' ' ARG . 48.2 tp10 -62.31 -40.35 96.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.944 0.402 . . . . 0.0 110.147 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.556 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -61.51 -43.37 96.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.064 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.3 m -61.04 -42.54 98.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.147 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.518 HH11 ' CD ' ' A' ' 7' ' ' GLU . 58.3 ttp180 -60.38 -35.3 75.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.113 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.461 ' O ' HD23 ' A' ' 15' ' ' LEU . 9.9 t -52.22 -41.67 62.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.369 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.36 -38.34 83.53 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.561 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.51 -38.96 89.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.164 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.36 -43.16 99.46 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.699 -179.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.473 ' N ' HD22 ' A' ' 15' ' ' LEU . 3.9 mm? -63.07 -42.72 99.74 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.375 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.14 -39.88 93.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.248 0.547 . . . . 0.0 110.408 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -68.52 -11.56 60.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.396 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.0 p -58.64 -26.46 63.77 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.39 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.8 p -85.43 -14.17 47.04 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.159 0.504 . . . . 0.0 110.948 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.7 t . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.786 179.757 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 121.033 0.444 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' B' ' 2' ' ' ASN . 0.0 OUTLIER -65.54 153.61 90.02 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.902 -178.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -56.68 -25.44 60.07 Favored 'Trans proline' 0 N--CA 1.499 1.8 0 C-N-CA 122.502 2.134 . . . . 0.0 112.129 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.1 -19.83 63.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.58 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.46 -32.63 68.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.394 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.44 -35.95 79.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.187 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.508 ' CD ' HH11 ' B' ' 10' ' ' ARG . 48.2 tp10 -62.41 -40.13 95.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.562 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.7 mp -61.87 -43.48 97.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.348 -0.387 . . . . 0.0 109.987 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -60.9 -42.56 98.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.193 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.508 HH11 ' CD ' ' B' ' 7' ' ' GLU . 57.9 ttp180 -60.48 -35.54 76.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.993 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . 0.464 ' O ' HD23 ' B' ' 15' ' ' LEU . 10.8 t -52.08 -41.51 62.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.368 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.4 -38.34 83.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.823 0.344 . . . . 0.0 110.514 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.37 -39.15 89.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.214 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.17 -43.41 98.9 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.671 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' B' ' 15' ' ' LEU . 3.9 mm? -63.05 -42.73 99.8 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.327 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -65.24 -39.72 93.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.246 0.546 . . . . 0.0 110.315 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.44 -11.5 59.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.264 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' B' ' 15' ' ' LEU . 82.7 p -58.75 -26.81 64.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.427 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.3 p -85.45 -14.47 46.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.942 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.77 179.7 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 121.095 0.474 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' ASN . . . . . 0.51 ' O ' ' ND2' ' C' ' 2' ' ' ASN . 0.0 OUTLIER -65.34 153.58 89.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.93 -178.867 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.56 -25.48 59.17 Favored 'Trans proline' 0 N--CA 1.499 1.835 0 C-N-CA 122.582 2.188 . . . . 0.0 112.128 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.06 -19.53 63.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.46 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.0 69.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.191 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.44 -36.72 81.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.161 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . 0.519 ' OE2' ' NH1' ' C' ' 10' ' ' ARG . 47.7 tp10 -62.02 -40.44 95.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.119 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . 0.567 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.7 mp -61.55 -43.28 96.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.014 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.8 m -61.08 -42.52 98.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.319 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.519 ' NH1' ' OE2' ' C' ' 7' ' ' GLU . 58.2 ttp180 -60.49 -35.3 75.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.027 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . 0.46 ' O ' HD23 ' C' ' 15' ' ' LEU . 9.5 t -52.24 -41.26 62.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.402 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.47 -38.01 82.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.813 0.339 . . . . 0.0 110.465 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.0 -39.01 90.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.157 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.2 -43.3 99.15 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.656 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.484 ' N ' HD22 ' C' ' 15' ' ' LEU . 4.0 mm? -63.08 -42.79 99.72 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.488 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.1 -39.62 93.39 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.323 0.582 . . . . 0.0 110.482 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -68.91 -11.33 60.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.304 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 84.2 p -58.5 -26.23 63.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.346 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 83.7 p -85.89 -14.65 44.21 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.899 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.724 179.737 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.944 0.402 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.458 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -61.58 149.61 83.67 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.887 -179.276 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.39 -20.67 66.53 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.706 2.271 . . . . 0.0 112.048 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.48 -14.33 56.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.392 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.95 -25.6 63.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.364 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -60.56 -36.8 79.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.454 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.403 ' OE1' ' NH1' ' A' ' 10' ' ' ARG . 47.3 tp10 -62.58 -39.47 93.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.402 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.635 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.6 mp -61.92 -42.54 95.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.966 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.9 m -61.03 -42.13 97.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.885 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.403 ' NH1' ' OE1' ' A' ' 7' ' ' GLU . 58.0 ttp180 -62.58 -41.25 98.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.097 0.475 . . . . 0.0 110.026 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.49 -40.36 91.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.409 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -59.9 -43.29 94.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.865 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.1 -39.74 95.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.056 0.455 . . . . 0.0 110.33 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.42 -41.92 99.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.916 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.17 -42.4 99.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.268 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.06 -40.08 75.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.409 0.623 . . . . 0.0 110.626 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -69.49 -9.87 55.66 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.243 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 84.8 p -58.85 -21.72 57.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.408 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.4 m -82.64 -11.47 58.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.783 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.658 179.711 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.76 0.314 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . 0.441 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 0.1 OUTLIER -61.31 149.66 82.32 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.044 -179.309 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.85 -20.35 64.55 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.671 2.247 . . . . 0.0 112.018 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -64.49 -14.38 56.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.83 -25.57 63.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.494 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -60.57 -36.88 79.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.383 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.58 -38.96 92.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.246 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.64 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.6 mp -62.22 -42.42 95.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.984 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 90.8 m -61.18 -42.05 97.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.852 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -62.59 -41.7 99.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.076 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.06 -40.08 88.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.484 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.29 -43.6 96.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.974 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.07 -39.75 95.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.068 0.461 . . . . 0.0 109.97 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.86 -42.72 99.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.993 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.86 -42.67 99.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.316 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -69.53 -39.96 77.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.363 0.602 . . . . 0.0 110.641 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -69.53 -9.66 54.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.165 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 67.1 p -58.7 -22.54 57.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.573 -178.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -81.94 -12.9 58.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.717 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.71 179.562 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.825 0.345 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 2' ' ' ASN . . . . . 0.462 ' O ' ' ND2' ' C' ' 2' ' ' ASN . 0.1 OUTLIER -61.42 149.77 82.49 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 -179.161 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.31 -21.32 67.02 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.63 2.22 . . . . 0.0 112.106 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.55 -14.31 50.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.41 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.81 -25.6 63.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.331 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -60.59 -37.16 80.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.554 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -62.41 -39.09 92.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.426 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . 0.65 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.6 mp -62.25 -42.34 94.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.019 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 88.2 m -61.49 -41.95 98.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.81 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -62.6 -41.24 98.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.075 0.464 . . . . 0.0 110.12 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.82 -39.96 90.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.506 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -60.17 -43.34 95.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.993 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.05 -39.57 95.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.947 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.24 -42.46 99.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.979 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.8 -42.61 99.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.291 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.06 -39.91 75.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.363 0.601 . . . . 0.0 110.659 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.54 -10.12 56.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.487 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 92.8 p -58.63 -21.88 55.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.439 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 74.5 m -82.49 -12.82 57.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.876 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.907 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 121.126 0.488 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' C' ' 20' ' ' SER . 33.5 p-10 -63.86 150.08 91.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.239 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.25 -18.99 65.32 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.377 2.051 . . . . 0.0 111.952 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -63.65 -14.9 56.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.635 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.32 -26.64 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.503 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.27 -38.2 85.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.197 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -62.69 -38.05 88.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.767 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.578 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -62.15 -44.86 99.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.8 m -61.95 -43.19 99.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 109.871 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.552 ' NH2' HD11 ' A' ' 14' ' ' LEU . 70.5 ttp85 -63.34 -40.61 97.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.736 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 t -54.21 -45.5 72.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.763 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -62.04 -42.86 99.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.083 0.468 . . . . 0.0 109.976 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -61.81 -38.98 90.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.375 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.552 HD11 ' NH2' ' A' ' 10' ' ' ARG . 72.2 mt -62.12 -41.96 98.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.513 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.54 -41.47 96.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.095 0.474 . . . . 0.0 110.411 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.42 -37.05 85.78 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.164 0.507 . . . . 0.0 110.574 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.72 -9.4 19.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.637 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.7 p -59.02 -22.74 61.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 110.7 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.9 m -84.07 -13.2 53.7 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.72 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.662 179.645 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 CA--C 1.522 -0.1 0 CA-C-O 121.005 0.431 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -64.19 150.13 93.0 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.161 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -64.37 -18.96 64.95 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.388 2.058 . . . . 0.0 112.089 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -63.57 -15.18 57.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.625 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.24 -26.6 63.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.583 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -61.21 -38.41 86.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -62.61 -38.04 88.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.809 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.59 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.5 mp -62.03 -44.71 99.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.7 m -62.1 -43.24 99.26 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.555 ' NH2' HD11 ' B' ' 14' ' ' LEU . 70.6 ttp85 -63.33 -40.75 98.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.719 179.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -53.92 -45.51 71.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.797 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -62.1 -42.89 99.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.13 0.49 . . . . 0.0 109.93 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -61.76 -39.04 90.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.344 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.555 HD11 ' NH2' ' B' ' 10' ' ' ARG . 71.6 mt -61.98 -42.0 98.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.575 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.69 -41.36 96.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.029 0.442 . . . . 0.0 110.422 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.44 -36.94 85.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.184 0.516 . . . . 0.0 110.628 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.86 -9.28 19.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.705 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 95.4 p -58.85 -22.83 59.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.014 0.435 . . . . 0.0 110.722 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -84.12 -13.41 53.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.642 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.738 179.726 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.97 0.414 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -64.22 150.18 93.01 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.243 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.35 -18.99 65.07 Favored 'Trans proline' 0 N--CA 1.499 1.798 0 C-N-CA 122.397 2.065 . . . . 0.0 112.059 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -63.7 -14.92 56.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.622 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.26 -26.71 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.472 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.18 -38.4 86.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.115 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -62.71 -38.06 88.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.708 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . 0.596 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.6 mp -62.11 -44.71 99.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -61.87 -43.27 99.19 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.548 ' NH2' HD11 ' C' ' 14' ' ' LEU . 70.8 ttp85 -63.28 -40.76 98.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.748 179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 10.8 t -53.96 -45.62 71.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.664 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -61.97 -42.94 99.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.082 0.468 . . . . 0.0 109.945 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -61.82 -39.01 90.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.363 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . 0.548 HD11 ' NH2' ' C' ' 10' ' ' ARG . 72.0 mt -62.07 -42.03 98.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.598 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.7 -41.42 96.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.976 0.417 . . . . 0.0 110.388 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.58 -36.96 85.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.174 0.511 . . . . 0.0 110.569 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.54 -9.61 20.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.484 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 94.9 p -58.78 -22.68 58.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.966 0.413 . . . . 0.0 110.753 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 69.2 m -83.94 -13.39 53.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.805 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 2' ' ' ASN . 26.0 t . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.659 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.521 -0.146 0 CA-C-O 120.948 0.404 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 24.3 p-10 -62.2 151.51 81.32 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.015 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.405 ' O ' ' OE1' ' A' ' 6' ' ' GLU . 35.3 Cg_endo -63.04 -19.01 68.0 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.457 2.105 . . . . 0.0 111.952 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.08 -13.92 59.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.507 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.59 -27.76 64.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.52 ' N ' ' OE2' ' A' ' 6' ' ' GLU . 0.9 OUTLIER -61.11 -37.7 83.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.783 0.325 . . . . 0.0 110.147 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.487 ' CD ' HH11 ' A' ' 10' ' ' ARG . 48.5 tp10 -62.69 -39.06 92.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.879 0.371 . . . . 0.0 110.454 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -61.74 -42.36 94.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.1 m -60.44 -43.09 97.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.487 HH11 ' CD ' ' A' ' 7' ' ' GLU . 61.1 ttp180 -62.9 -42.15 99.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.046 0.451 . . . . 0.0 110.116 178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 t -58.68 -40.48 83.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.436 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.12 -42.2 98.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.154 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -60.56 -41.87 95.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.085 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.33 -42.46 99.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.23 -42.06 93.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.09 0.471 . . . . 0.0 110.616 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.55 -37.79 88.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.739 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.31 -9.89 28.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.439 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 94.9 p -58.89 -23.82 61.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.883 0.373 . . . . 0.0 110.772 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.5 p -82.93 -13.16 56.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.953 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.955 179.824 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 121.022 0.439 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -62.02 151.45 80.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.032 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . 0.417 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 33.9 Cg_endo -62.84 -19.08 67.69 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.568 2.179 . . . . 0.0 111.871 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.98 -13.94 58.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.428 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.48 -27.92 64.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.541 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.521 ' OE2' ' N ' ' B' ' 6' ' ' GLU . 0.9 OUTLIER -61.08 -37.61 83.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.788 0.328 . . . . 0.0 110.259 179.629 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.488 ' OE2' ' NH1' ' B' ' 10' ' ' ARG . 48.4 tp10 -62.71 -39.12 93.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.34 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.528 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.4 mp -61.62 -42.43 94.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 91.9 m -60.49 -43.06 97.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.488 ' NH1' ' OE2' ' B' ' 7' ' ' GLU . 61.3 ttp180 -63.06 -41.98 99.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.977 0.418 . . . . 0.0 110.066 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 t -58.9 -40.23 83.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.558 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.33 -42.16 98.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.164 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.59 -41.79 95.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.063 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.35 -42.52 99.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.766 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.2 -42.07 93.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.066 0.46 . . . . 0.0 110.554 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.61 -38.1 89.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.788 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.18 -9.8 26.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.475 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 94.6 p -58.96 -23.74 61.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.629 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -82.6 -13.39 56.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.869 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.816 179.859 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.976 0.417 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 2' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' C' ' 2' ' ' ASN . 24.6 p-10 -61.89 151.55 79.41 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.036 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' PRO . . . . . 0.406 ' O ' ' OE1' ' C' ' 6' ' ' GLU . 35.9 Cg_endo -63.19 -18.85 66.95 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 122.466 2.11 . . . . 0.0 111.851 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.02 -13.99 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.581 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.65 -27.8 65.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . 0.52 ' N ' ' OE2' ' C' ' 6' ' ' GLU . 0.9 OUTLIER -61.08 -37.68 83.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.188 179.676 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . 0.497 ' CD ' HH11 ' C' ' 10' ' ' ARG . 48.7 tp10 -62.74 -39.1 93.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 0.0 110.409 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' ILE . . . . . 0.539 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.4 mp -61.67 -42.3 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 90.6 m -60.54 -43.02 97.65 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.624 -0.43 . . . . 0.0 109.876 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.497 HH11 ' CD ' ' C' ' 7' ' ' GLU . 61.1 ttp180 -62.97 -41.99 99.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.97 0.414 . . . . 0.0 110.122 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 15.6 t -58.87 -40.22 83.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.571 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -61.12 -42.19 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.12 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.7 -41.63 95.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.045 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.41 -42.54 99.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.823 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.33 -42.04 93.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.021 0.439 . . . . 0.0 110.555 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.58 -37.97 89.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.807 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.26 -9.89 27.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.385 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 94.7 p -58.96 -23.57 61.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.631 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 84.7 p -82.85 -13.7 55.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.889 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.916 179.8 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.972 0.415 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.473 HD21 ' HB3' ' C' ' 17' ' ' ASP . 38.7 p-10 -66.75 150.37 97.65 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.67 -19.5 59.74 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.636 2.224 . . . . 0.0 112.013 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.97 -17.94 63.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.426 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.76 -27.27 64.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.254 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.43 -36.67 81.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.285 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.536 ' OE1' ' NH1' ' A' ' 10' ' ' ARG . 42.3 tp10 -61.94 -40.2 94.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.99 0.424 . . . . 0.0 110.703 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.659 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -61.9 -42.06 93.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.194 0.521 . . . . 0.0 109.779 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.0 m -60.45 -41.31 93.82 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.729 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.536 ' NH1' ' OE1' ' A' ' 7' ' ' GLU . 57.9 ttp180 -61.75 -41.77 98.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.163 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.3 m -55.14 -45.01 75.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.311 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.13 -44.5 92.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.387 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.9 -39.21 93.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.119 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.0 mt -62.54 -42.11 99.32 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.051 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.16 -42.69 99.48 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.366 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -66.28 -39.95 89.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.358 0.599 . . . . 0.0 110.685 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.453 ' HB3' HD21 ' B' ' 2' ' ' ASN . 97.9 m-20 -68.08 -11.32 58.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.427 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -56.12 -30.09 61.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.3 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -80.77 -11.65 59.58 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.853 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.318 -0.768 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.74 179.614 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.453 HD21 ' HB3' ' A' ' 17' ' ' ASP . 39.2 p-10 -67.66 150.32 97.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.913 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.71 -19.25 59.59 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.631 2.221 . . . . 0.0 111.999 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -64.23 -18.32 64.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.57 -27.07 64.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.211 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.39 -36.48 80.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.315 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.553 ' OE1' ' NH1' ' B' ' 10' ' ' ARG . 42.9 tp10 -62.13 -40.22 95.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.089 0.471 . . . . 0.0 110.72 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.658 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.7 mp -61.94 -42.32 94.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.112 0.482 . . . . 0.0 109.882 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 97.3 m -60.3 -41.16 92.86 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.707 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.553 ' NH1' ' OE1' ' B' ' 7' ' ' GLU . 57.4 ttp180 -62.0 -41.97 98.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.25 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 36.9 m -55.27 -44.18 75.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.384 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.7 -44.65 93.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.331 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.52 -39.23 92.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.995 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.39 -41.97 99.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.29 -42.42 99.06 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.349 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.71 -40.37 88.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.419 0.628 . . . . 0.0 110.778 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . 0.482 ' HB3' HD21 ' C' ' 2' ' ' ASN . 97.9 m-20 -67.61 -11.22 57.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.307 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.6 t -55.7 -30.51 61.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.361 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.2 p -80.42 -11.41 59.69 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 C--N 1.319 -0.759 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.827 179.418 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.003 0.43 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . 0.482 HD21 ' HB3' ' B' ' 17' ' ' ASP . 40.5 p-10 -66.74 150.66 97.44 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.702 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.63 -19.88 59.95 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.703 2.269 . . . . 0.0 112.017 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -63.67 -18.21 63.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.518 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.88 63.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.65 -37.03 82.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.416 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . 0.531 ' OE1' ' NH1' ' C' ' 10' ' ' ARG . 41.6 tp10 -61.86 -40.21 94.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.055 0.455 . . . . 0.0 110.683 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . 0.672 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.6 mp -61.83 -42.31 94.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.133 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 97.2 m -60.31 -41.33 93.22 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.668 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.531 ' NH1' ' OE1' ' C' ' 7' ' ' GLU . 57.6 ttp180 -61.73 -41.75 98.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.253 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 52.6 m -55.36 -44.29 75.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.388 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.65 -44.66 93.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.892 0.377 . . . . 0.0 110.341 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -62.7 -39.03 92.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.911 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 65.2 mt -62.39 -42.42 99.41 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.024 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.19 -42.63 99.38 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.406 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -66.0 -40.44 91.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.44 0.638 . . . . 0.0 110.691 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . 0.473 ' HB3' HD21 ' A' ' 2' ' ' ASN . 97.7 m-20 -67.92 -11.14 58.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.352 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t -55.87 -29.79 60.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.456 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 84.1 p -80.65 -12.09 59.54 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.031 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 C--N 1.319 -0.75 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.984 179.611 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 CA--C 1.521 -0.159 0 CA-C-O 121.017 0.437 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' C' ' 20' ' ' SER . 34.2 p-10 -61.57 149.18 84.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.805 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.48 -19.42 60.93 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.605 2.203 . . . . 0.0 112.126 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.4 -13.7 52.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.525 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.72 -26.05 63.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.45 -38.64 84.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.429 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.518 ' CD ' HH11 ' A' ' 10' ' ' ARG . 9.3 tp10 -63.15 -40.71 98.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.102 0.477 . . . . 0.0 110.361 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -62.71 -40.32 88.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.027 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.2 m -59.27 -42.98 92.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.878 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.518 HH11 ' CD ' ' A' ' 7' ' ' GLU . 96.0 mtm-85 -65.01 -37.69 88.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.059 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 t -53.33 -47.3 69.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.937 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -62.84 -43.45 98.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.419 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -62.72 -39.56 94.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.248 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.9 mt -61.98 -42.53 99.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.639 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.73 -40.53 92.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.151 0.501 . . . . 0.0 110.454 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.98 -38.06 89.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.889 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -65.72 -10.39 36.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.493 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.5 p -59.89 -20.46 57.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.922 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.8 p -79.77 -14.04 59.0 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.013 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.793 179.368 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 120.936 0.398 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -62.32 149.74 86.71 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.795 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.74 -19.33 59.39 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 122.586 2.191 . . . . 0.0 112.041 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.32 -13.9 52.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.613 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.81 -25.99 63.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.369 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.57 -38.51 84.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.292 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.55 ' CD ' HH11 ' B' ' 10' ' ' ARG . 9.7 tp10 -63.14 -41.0 99.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.132 0.491 . . . . 0.0 110.383 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.612 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.7 mp -62.81 -40.16 87.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.007 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.5 m -59.07 -42.95 91.61 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.55 HH11 ' CD ' ' B' ' 7' ' ' GLU . 96.0 mtm-85 -64.98 -37.59 88.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.216 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 9.8 t -53.42 -47.53 69.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.215 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.88 -43.17 99.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.381 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -62.71 -39.6 94.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.288 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 43.2 mt -62.0 -42.31 99.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.626 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.82 -40.64 92.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.115 0.483 . . . . 0.0 110.461 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.84 -38.24 90.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.785 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -65.86 -10.38 37.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.55 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 56.6 p -60.04 -20.48 58.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.9 p -79.33 -14.92 58.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.319 -0.736 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.794 179.41 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.958 0.408 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -62.02 149.74 85.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.863 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.78 -19.28 59.15 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 122.633 2.222 . . . . 0.0 112.11 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.39 -13.86 53.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.587 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.71 -26.17 63.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.462 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.51 -38.57 84.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.353 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . 0.549 ' CD ' HH11 ' C' ' 10' ' ' ARG . 9.7 tp10 -63.16 -40.71 98.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.04 0.448 . . . . 0.0 110.229 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . 0.602 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.7 mp -62.66 -40.3 87.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.042 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.2 m -59.19 -43.1 92.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.906 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.549 HH11 ' CD ' ' C' ' 7' ' ' GLU . 96.0 mtm-85 -64.84 -37.63 88.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.1 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 10.4 t -53.23 -47.48 68.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.165 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.77 -43.43 98.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.372 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.61 -39.64 94.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.248 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.14 -42.26 99.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.588 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 15' ' ' LEU . 98.3 mt -65.83 -40.55 91.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.149 0.499 . . . . 0.0 110.389 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.01 -38.36 90.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.871 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -65.62 -10.13 33.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.569 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 57.5 p -60.43 -20.18 58.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 88.7 p -79.59 -14.23 58.97 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.083 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 2' ' ' ASN . 19.4 t . . . . . 0 C--N 1.319 -0.761 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.78 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.516 -0.362 0 CA-C-O 121.049 0.452 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.483 ' H ' ' C ' ' C' ' 20' ' ' SER . 14.2 p-10 -59.86 150.52 68.28 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.327 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -57.08 -28.42 78.69 Favored 'Trans proline' 0 N--CA 1.504 2.122 0 C-N-CA 122.564 2.176 . . . . 0.0 112.304 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -62.61 -12.93 26.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.644 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.19 -34.16 70.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.135 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.95 -39.43 92.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.031 0.443 . . . . 0.0 110.348 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.83 -36.27 83.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.14 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.661 HG21 ' HB2' ' C' ' 18' ' ' SER . 44.4 mm -62.3 -41.95 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.566 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.4 m -60.87 -42.04 97.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.845 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.2 mtp85 -62.32 -39.38 92.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.379 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 t -57.77 -44.37 86.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.547 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.22 -42.03 98.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.412 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.0 -40.06 95.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.599 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.7 mt -62.6 -43.43 98.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.65 -42.96 98.06 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.382 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -66.74 -40.82 88.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.43 0.633 . . . . 0.0 110.659 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -70.16 -11.06 60.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.286 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.677 ' HB2' HG21 ' B' ' 8' ' ' ILE . 55.1 p -59.39 -20.19 52.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.529 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.2 p -79.79 -14.04 58.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.624 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.457 ' C ' ' H ' ' B' ' 2' ' ' ASN . 48.9 m . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.578 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 CA--C 1.517 -0.314 0 CA-C-O 120.933 0.397 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.457 ' H ' ' C ' ' A' ' 20' ' ' SER . 15.6 p-10 -60.06 150.42 70.38 Favored Pre-proline 0 C--N 1.323 -0.581 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.343 -178.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -57.24 -28.79 81.21 Favored 'Trans proline' 0 N--CA 1.504 2.141 0 C-N-CA 122.544 2.163 . . . . 0.0 112.448 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.31 -12.98 24.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.398 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.09 -34.43 70.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.045 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.84 -39.54 92.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.937 0.398 . . . . 0.0 110.403 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -64.59 -36.23 83.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.016 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.677 HG21 ' HB2' ' A' ' 18' ' ' SER . 45.0 mm -62.46 -41.82 93.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.61 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -60.66 -41.98 96.09 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -62.32 -39.83 94.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -57.22 -44.59 83.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.06 -42.12 98.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.458 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.98 -40.05 95.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.701 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 24.5 mt -62.53 -43.41 98.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.636 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.83 -42.81 97.54 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.214 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -66.76 -40.92 88.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.445 0.641 . . . . 0.0 110.64 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.17 -11.3 60.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.286 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.662 ' HB2' HG21 ' C' ' 8' ' ' ILE . 56.3 p -59.58 -19.85 51.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.452 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p -79.89 -14.7 58.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.135 0.493 . . . . 0.0 110.594 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.491 ' C ' ' H ' ' C' ' 2' ' ' ASN . 48.7 m . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.745 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.516 -0.331 0 CA-C-O 121.102 0.477 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . 0.491 ' H ' ' C ' ' B' ' 20' ' ' SER . 15.7 p-10 -59.82 150.68 67.15 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.345 -178.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -57.24 -28.47 79.72 Favored 'Trans proline' 0 N--CA 1.504 2.127 0 C-N-CA 122.529 2.152 . . . . 0.0 112.346 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.5 -13.19 27.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.533 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.95 -34.02 69.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.124 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.09 -39.68 93.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.973 0.416 . . . . 0.0 110.4 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.56 -36.12 83.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.057 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . 0.662 HG21 ' HB2' ' B' ' 18' ' ' SER . 43.8 mm -62.35 -42.03 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.657 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 93.4 m -60.63 -42.15 96.33 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -62.25 -39.61 93.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.63 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -57.57 -44.21 85.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.554 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.13 -42.2 99.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.443 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.05 -40.13 95.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.712 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 25.3 mt -62.62 -43.36 99.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.589 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.41 ' O ' ' OG ' ' C' ' 18' ' ' SER . 90.1 mt -63.84 -42.84 97.5 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.361 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.68 -40.78 88.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.407 0.622 . . . . 0.0 110.667 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -70.36 -11.46 60.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.271 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' SER . . . . . 0.661 ' HB2' HG21 ' A' ' 8' ' ' ILE . 54.4 p -59.68 -19.8 52.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.396 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -79.79 -14.46 58.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.682 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 2' ' ' ASN . 56.9 m . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.573 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.464 0.258 0 CA-C-O 121.101 0.477 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.457 ' OD1' ' OG ' ' C' ' 20' ' ' SER . 0.4 OUTLIER -64.03 156.18 75.25 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.038 -179.775 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.49 -23.16 30.44 Favored 'Trans proline' 0 N--CA 1.503 2.034 0 C-N-CA 122.225 1.95 . . . . 0.0 111.908 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.67 -13.03 27.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.0 0.428 . . . . 0.0 110.404 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.31 -30.29 66.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.218 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.06 -40.28 95.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.879 0.371 . . . . 0.0 110.191 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' OE1' ' NH1' ' A' ' 10' ' ' ARG . 49.2 tp10 -64.87 -38.23 90.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.04 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.6 mm -61.96 -41.94 92.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.539 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.8 m -60.68 -42.28 96.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.03 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.426 ' NH1' ' OE1' ' A' ' 7' ' ' GLU . 59.8 ttp180 -61.78 -42.29 98.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.976 0.417 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.1 t -60.85 -37.75 83.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.202 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.57 -44.14 97.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.201 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.71 -40.16 94.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.252 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.12 -40.98 99.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.047 0.451 . . . . 0.0 110.313 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.9 mt -64.47 -40.69 96.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.168 0.508 . . . . 0.0 110.439 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.74 -29.59 69.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.806 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.86 -8.28 10.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.221 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.7 m -56.49 -32.35 64.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.41 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.6 p -80.67 -9.94 59.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.775 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.462 ' OG ' ' OD1' ' B' ' 2' ' ' ASN . 25.3 p . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.622 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 120.989 0.423 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.462 ' OD1' ' OG ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -64.8 155.87 81.19 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.113 -179.753 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.15 -23.35 28.96 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.313 2.008 . . . . 0.0 111.953 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -62.64 -12.92 26.23 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.084 0.469 . . . . 0.0 110.52 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.4 -30.39 66.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.189 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.9 -40.17 94.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.943 0.401 . . . . 0.0 110.018 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.415 ' OE1' ' NH1' ' B' ' 10' ' ' ARG . 48.6 tp10 -64.89 -38.22 90.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.047 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 44.8 mm -62.08 -41.97 93.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.538 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.1 m -60.61 -42.2 96.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.244 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.415 ' NH1' ' OE1' ' B' ' 7' ' ' GLU . 59.9 ttp180 -61.86 -42.18 98.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.243 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 t -60.92 -37.5 82.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.325 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.81 -43.98 97.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.245 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.88 -40.06 94.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.258 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.18 -41.05 99.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.049 0.452 . . . . 0.0 110.283 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.41 -40.84 96.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.192 0.52 . . . . 0.0 110.261 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.48 -29.91 70.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.814 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.8 -8.21 10.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.252 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 68.3 m -56.32 -32.32 64.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.344 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 89.5 p -80.53 -10.41 59.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.831 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.47 ' OG ' ' OD1' ' C' ' 2' ' ' ASN . 27.8 p . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.526 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.465 0.283 0 CA-C-O 121.13 0.49 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . 0.47 ' OD1' ' OG ' ' B' ' 20' ' ' SER . 0.4 OUTLIER -63.89 156.03 75.02 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.166 -179.802 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.13 -23.4 29.06 Favored 'Trans proline' 0 N--CA 1.501 1.966 0 C-N-CA 122.278 1.985 . . . . 0.0 111.949 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.49 -12.94 25.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.049 0.452 . . . . 0.0 110.503 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.45 66.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.193 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.9 -40.15 94.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.904 0.383 . . . . 0.0 110.031 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . 0.433 ' OE1' ' NH1' ' C' ' 10' ' ' ARG . 48.9 tp10 -64.99 -38.27 90.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.964 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 45.5 mm -62.11 -41.79 92.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.543 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 99.1 m -60.78 -42.16 96.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.127 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.433 ' NH1' ' OE1' ' C' ' 7' ' ' GLU . 59.8 ttp180 -61.85 -42.2 98.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 110.201 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 22.6 t -60.81 -37.89 83.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.277 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.67 -44.07 97.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.255 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.48 -40.24 93.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.282 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.26 -40.95 98.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.05 0.452 . . . . 0.0 110.17 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.49 -40.75 96.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.146 0.498 . . . . 0.0 110.364 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.32 -29.94 70.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.77 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . 0.409 ' O ' ' OG ' ' C' ' 20' ' ' SER . 97.7 m-20 -63.81 -8.32 10.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.311 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -56.42 -32.26 64.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.34 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 87.2 p -80.59 -10.32 59.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.812 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.457 ' OG ' ' OD1' ' A' ' 2' ' ' ASN . 24.7 p . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.699 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.4 mttp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.031 0.443 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' C' ' 20' ' ' SER . 31.0 p-10 -65.87 149.03 97.96 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.093 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -65.47 -19.62 60.96 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.277 1.985 . . . . 0.0 112.283 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.84 -17.85 63.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.631 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.67 -32.65 69.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.089 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.01 -37.23 84.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.323 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -62.48 -40.61 97.24 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.5 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.3 mp -62.36 -39.73 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.885 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.3 m -60.15 -42.27 94.52 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.442 ' NH2' HD11 ' A' ' 14' ' ' LEU . 70.1 ttp85 -62.2 -40.21 95.32 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.0 t -55.36 -43.09 74.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.102 0.477 . . . . 0.0 110.442 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.38 -38.98 88.98 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.654 -0.418 . . . . 0.0 109.958 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -60.48 -38.46 84.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.463 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.442 HD11 ' NH2' ' A' ' 10' ' ' ARG . 81.9 mt -61.6 -44.75 96.42 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.446 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 15' ' ' LEU . 9.3 mp -68.19 -37.21 80.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.04 0.448 . . . . 0.0 110.794 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.39 -37.87 84.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.599 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.59 -10.82 49.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.534 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.7 p -60.53 -20.08 59.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.029 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.3 m -80.52 -15.09 57.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.578 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.435 ' C ' ' H ' ' B' ' 2' ' ' ASN . 19.9 m . . . . . 0 C--N 1.32 -0.696 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.599 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 121.013 0.435 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.435 ' H ' ' C ' ' A' ' 20' ' ' SER . 30.3 p-10 -65.85 149.2 97.77 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.191 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.63 -19.61 60.0 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.393 2.062 . . . . 0.0 112.126 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.95 -17.86 63.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.61 -32.8 69.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.135 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.92 -37.19 83.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.348 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -62.38 -40.69 97.28 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.5 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.3 mp -62.23 -39.9 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.866 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.5 m -60.19 -42.2 94.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.142 0.496 . . . . 0.0 109.721 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.434 ' NH2' HD11 ' B' ' 14' ' ' LEU . 70.4 ttp85 -62.29 -40.43 96.26 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 47.4 t -54.9 -43.27 73.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.098 0.475 . . . . 0.0 110.577 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.32 -38.97 88.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.956 0.408 . . . . 0.0 109.906 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -60.36 -38.61 84.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.469 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.434 HD11 ' NH2' ' B' ' 10' ' ' ARG . 82.9 mt -61.68 -44.74 96.36 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.506 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.51 HD12 ' N ' ' B' ' 15' ' ' LEU . 9.1 mp -68.12 -37.4 81.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.116 0.484 . . . . 0.0 110.881 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.41 -37.8 84.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.678 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.44 -10.68 46.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.573 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 83.8 p -60.67 -19.89 59.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.8 m -80.43 -15.01 57.8 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.591 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.422 ' C ' ' H ' ' C' ' 2' ' ' ASN . 19.3 m . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.447 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.89 0.376 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' B' ' 20' ' ' SER . 30.0 p-10 -65.7 149.24 97.6 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.09 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.64 -19.61 59.95 Favored 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.345 2.03 . . . . 0.0 112.083 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.96 -17.7 63.53 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.018 0.437 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.47 -32.81 69.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.066 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.94 -37.24 83.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.404 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -62.52 -40.7 97.59 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . 0.496 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.3 mp -62.27 -39.92 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.908 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.6 m -59.95 -42.5 94.17 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.438 ' NH2' HD11 ' C' ' 14' ' ' LEU . 70.4 ttp85 -61.98 -40.59 96.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 49.0 t -54.9 -43.32 73.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.069 0.461 . . . . 0.0 110.482 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.2 -38.99 88.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.006 0.431 . . . . 0.0 110.016 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -60.39 -38.61 84.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . 0.438 HD11 ' NH2' ' C' ' 10' ' ' ARG . 82.8 mt -61.63 -44.73 96.43 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.495 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.499 ' N ' HD12 ' C' ' 15' ' ' LEU . 9.3 mp -68.15 -37.32 80.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.042 0.449 . . . . 0.0 110.862 178.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.3 -37.91 84.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.701 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.69 -10.55 47.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.583 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 84.1 p -60.55 -20.19 59.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.016 0.436 . . . . 0.0 110.889 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 73.5 m -80.52 -14.6 58.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.634 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 2' ' ' ASN . 21.7 m . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.581 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.0 mttp . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.105 0.478 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -65.8 154.48 88.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.082 -178.752 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.42 -26.06 60.92 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.394 2.062 . . . . 0.0 112.015 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.09 -16.14 50.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.303 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.63 -28.98 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.253 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.24 -38.44 89.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.152 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.68 -39.73 94.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.191 0.519 . . . . 0.0 109.808 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -62.26 -41.71 92.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.895 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -59.31 -41.64 89.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.853 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.37 -41.86 97.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.981 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.31 -36.66 84.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.141 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -59.11 -44.64 91.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.064 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.85 -40.12 96.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.235 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.07 -41.31 99.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.84 -40.88 97.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.626 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.69 -37.68 87.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.386 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.08 -10.28 29.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.36 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.5 p -58.21 -32.04 67.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.573 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.8 m -84.52 -14.36 49.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.737 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.627 179.551 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.977 0.418 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.506 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 0.1 OUTLIER -65.3 154.5 87.3 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.005 -178.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.31 -25.93 59.22 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.393 2.062 . . . . 0.0 112.123 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.0 -16.26 50.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.268 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.52 -28.99 65.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.15 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.28 -38.26 88.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.915 0.388 . . . . 0.0 110.185 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -62.83 -39.63 94.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.17 0.509 . . . . 0.0 109.851 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.538 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.5 mp -62.53 -41.69 92.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.948 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 98.4 m -59.46 -41.57 90.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.983 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -61.42 -41.66 97.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.963 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.93 -36.19 83.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.425 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -59.3 -44.29 92.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.991 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.05 -40.15 96.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.177 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.02 -41.26 99.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.87 -40.8 97.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.515 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.66 -37.74 87.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.378 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.08 -10.29 29.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.354 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 100.0 p -58.17 -31.91 67.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.3 m -84.58 -13.93 50.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.83 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.882 179.588 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 C--O 1.234 0.249 0 CA-C-O 121.009 0.433 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' C' ' 2' ' ' ASN . 0.1 OUTLIER -64.96 154.31 86.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.079 -178.701 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.43 -25.7 59.11 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 122.395 2.063 . . . . 0.0 111.993 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.33 -16.2 52.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.32 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.51 -28.89 65.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.18 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.21 -38.4 89.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.178 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -62.69 -39.8 95.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.139 0.495 . . . . 0.0 109.763 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . 0.527 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.5 mp -62.38 -41.67 92.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.002 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -59.43 -41.53 89.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.95 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.45 -41.82 97.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.99 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.41 -36.49 84.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.223 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -59.16 -44.47 92.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.04 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.05 -40.25 97.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.322 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 78.6 mt -63.0 -41.06 99.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.512 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.91 -40.98 97.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.524 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.57 -37.85 87.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.425 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.9 -10.72 30.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.406 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 96.5 p -58.0 -32.06 67.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.55 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 70.7 m -84.12 -14.02 51.42 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.719 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.951 179.614 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt . . . . . 0 N--CA 1.464 0.241 0 CA-C-O 120.951 0.405 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.431 HD22 ' C ' ' A' ' 2' ' ' ASN . 0.4 OUTLIER -60.93 154.92 56.91 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.083 -179.283 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.13 -24.57 41.54 Favored 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 122.59 2.193 . . . . 0.0 111.907 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.23 -11.59 15.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.345 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.69 -28.58 63.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.09 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.13 -40.92 97.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.392 . . . . 0.0 110.429 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.4 -36.47 84.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.479 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.3 mm -62.57 -42.69 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.828 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.6 m -60.98 -41.92 97.34 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.948 -0.389 . . . . 0.0 109.948 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.499 ' NH2' HD11 ' A' ' 14' ' ' LEU . 70.1 ttp85 -62.08 -41.99 98.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.136 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 t -56.97 -40.91 77.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.032 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.12 -42.97 99.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.212 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.28 -40.98 96.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.576 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.499 HD11 ' NH2' ' A' ' 10' ' ' ARG . 97.7 mt -63.03 -43.08 99.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.916 0.389 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.89 -39.53 93.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.135 0.493 . . . . 0.0 110.718 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.25 -35.14 78.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.524 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.18 -9.18 15.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.162 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.7 p -58.44 -26.06 62.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.8 0.333 . . . . 0.0 110.69 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.0 p -86.03 -15.67 40.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.978 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.627 179.488 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt . . . . . 0 C--O 1.234 0.254 0 CA-C-O 120.917 0.389 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.432 HD22 ' C ' ' B' ' 2' ' ' ASN . 0.4 OUTLIER -60.52 154.4 55.45 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.033 -179.265 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.77 -24.3 37.4 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 122.573 2.182 . . . . 0.0 112.031 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.09 -11.7 15.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.473 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.7 -28.57 63.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.09 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.06 -40.94 97.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.396 . . . . 0.0 110.376 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.46 -36.56 84.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.094 0.473 . . . . 0.0 110.538 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 33.3 mm -62.43 -42.46 95.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.732 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.4 m -61.16 -41.91 97.61 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.477 ' NH2' HD11 ' B' ' 14' ' ' LEU . 69.6 ttp85 -62.02 -42.19 98.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 t -56.45 -41.14 75.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.235 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -62.21 -42.51 99.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.141 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.7 -40.72 96.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.685 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.477 HD11 ' NH2' ' B' ' 10' ' ' ARG . 97.3 mt -63.61 -42.95 98.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.348 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.94 -39.45 93.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.181 0.515 . . . . 0.0 110.599 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.38 -35.4 79.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.485 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.84 -9.87 17.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.271 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 87.7 p -58.27 -26.46 62.99 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.732 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 92.1 p -85.34 -16.09 41.11 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.411 ' OG ' ' OD1' ' C' ' 2' ' ' ASN . 17.1 t . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.714 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.905 0.383 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . 0.44 ' C ' HD22 ' C' ' 2' ' ' ASN . 0.4 OUTLIER -60.82 154.4 58.7 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.065 -179.191 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.68 -24.28 36.63 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 122.532 2.154 . . . . 0.0 111.986 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.07 -11.4 13.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.332 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.88 -29.05 64.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.2 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.89 -40.63 96.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.957 0.408 . . . . 0.0 110.387 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -65.66 -36.73 84.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.086 0.47 . . . . 0.0 110.728 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.35 -42.32 95.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 92.8 m -61.15 -41.84 97.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.013 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.504 ' NH2' HD11 ' C' ' 14' ' ' LEU . 70.2 ttp85 -62.25 -41.78 98.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.988 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 t -56.75 -40.9 76.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 0.0 110.273 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.19 -42.77 99.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.197 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.52 -40.61 95.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.555 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . 0.504 HD11 ' NH2' ' C' ' 10' ' ' ARG . 97.1 mt -63.56 -42.69 98.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.39 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.42 -39.65 92.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.174 0.512 . . . . 0.0 110.6 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.19 -35.33 78.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.493 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.95 -9.62 16.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.097 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 88.2 p -58.33 -27.04 63.77 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.574 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 89.2 p -85.06 -15.49 43.84 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.948 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.817 179.587 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.985 0.421 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.512 ' ND2' ' OG ' ' C' ' 20' ' ' SER . 86.3 m-20 -61.85 148.82 86.97 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.898 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.89 -19.19 58.52 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.581 2.187 . . . . 0.0 111.829 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.06 -12.48 51.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.414 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.42 -28.05 51.78 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.171 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.61 -39.09 92.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.084 0.468 . . . . 0.0 110.143 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -65.97 -38.63 89.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.193 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.486 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.8 mp -60.94 -42.2 91.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.912 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.5 m -59.88 -43.2 94.89 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -62.75 -38.74 91.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.204 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -54.89 -46.41 74.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.392 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.1 -41.46 98.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.391 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -64.4 -40.83 96.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.399 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.16 -42.21 99.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.754 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.72 -39.89 94.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.671 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.47 -36.53 82.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.504 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -64.11 -9.28 15.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.369 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.5 p -57.54 -32.07 66.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.697 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -90.25 -12.3 38.34 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.977 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.536 ' OG ' ' ND2' ' B' ' 2' ' ' ASN . 85.2 p . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.838 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.983 0.421 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.536 ' ND2' ' OG ' ' A' ' 20' ' ' SER . 85.3 m-20 -61.96 149.13 86.74 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.926 -178.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.06 -19.37 57.47 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 122.546 2.164 . . . . 0.0 111.787 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.85 -12.45 48.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.386 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.39 -28.24 52.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.057 -178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.56 -38.92 91.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.065 0.459 . . . . 0.0 110.084 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -66.01 -38.57 88.79 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.243 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.489 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.8 mp -61.16 -42.37 93.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.09 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.9 m -59.81 -42.84 94.36 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.6 mtp85 -62.87 -38.72 91.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.067 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 t -54.96 -46.45 75.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.562 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.1 -41.7 98.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.322 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -64.17 -40.94 97.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.363 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.14 -42.39 99.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.746 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.54 -39.81 94.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.205 0.526 . . . . 0.0 110.559 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.37 -36.75 83.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.442 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.98 -9.27 14.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.419 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 99.9 p -57.43 -31.91 66.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.698 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.0 m -90.11 -13.01 36.65 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.093 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.539 ' OG ' ' ND2' ' C' ' 2' ' ' ASN . 84.2 p . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.815 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.982 0.42 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . 0.539 ' ND2' ' OG ' ' B' ' 20' ' ' SER . 86.9 m-20 -61.8 148.5 87.38 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.917 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.54 -19.5 60.53 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.539 2.159 . . . . 0.0 111.872 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.96 -12.25 47.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.517 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.58 -28.33 54.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.159 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.33 -38.74 90.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.108 0.48 . . . . 0.0 110.09 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -66.22 -38.78 88.78 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.189 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . 0.489 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.8 mp -60.89 -42.02 91.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.873 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -60.13 -42.98 95.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.242 0.544 . . . . 0.0 109.702 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 60.7 mtp85 -62.92 -38.75 92.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.121 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 t -54.99 -46.51 75.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.521 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.82 -41.35 97.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.334 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -64.59 -40.62 95.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.327 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.27 -42.28 99.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.83 -39.9 94.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.667 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.55 -36.37 82.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.447 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -64.08 -9.26 15.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.363 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 97.3 p -57.44 -32.15 66.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.926 0.394 . . . . 0.0 110.611 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -89.79 -12.97 37.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.981 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.512 ' OG ' ' ND2' ' A' ' 2' ' ' ASN . 82.8 p . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.049 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 C--O 1.236 0.343 0 CA-C-O 121.058 0.456 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.52 HD22 ' HB2' ' A' ' 4' ' ' GLU . 31.6 t30 -62.21 137.28 95.81 Favored Pre-proline 0 CA--C 1.544 0.749 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.435 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.43 -23.71 40.02 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.612 2.208 . . . . 0.0 112.122 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.52 ' HB2' HD22 ' A' ' 2' ' ' ASN . 98.5 mt-10 -62.27 -15.09 45.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.58 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.47 -26.72 63.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.293 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.32 -37.77 84.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.3 -38.92 91.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.413 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.613 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -62.57 -41.03 90.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.865 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.1 m -59.61 -41.52 90.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.822 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.9 mtp85 -62.5 -40.07 95.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.444 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.0 m -59.43 -41.94 90.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.376 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.85 -45.92 90.92 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.104 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.97 -39.75 94.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.39 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.9 mt -62.22 -41.76 98.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.804 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.59 -40.83 97.94 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.05 0.452 . . . . 0.0 110.485 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.17 -37.58 87.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.582 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.97 -10.33 28.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.413 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.2 p -58.15 -31.88 67.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.767 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -83.77 -17.64 40.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.147 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.756 179.449 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.0 0.429 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.496 HD22 ' HB2' ' B' ' 4' ' ' GLU . 32.3 t30 -61.9 137.66 95.41 Favored Pre-proline 0 CA--C 1.543 0.701 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.397 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.48 -23.85 41.14 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 122.584 2.189 . . . . 0.0 112.161 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.496 ' HB2' HD22 ' B' ' 2' ' ' ASN . 98.9 mt-10 -62.02 -15.14 42.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.552 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.7 -26.69 64.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.163 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.16 -37.63 83.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.459 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.7 -39.36 93.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.67 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.592 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.7 mp -62.21 -40.66 88.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.109 0.48 . . . . 0.0 109.813 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 97.4 m -59.83 -41.65 91.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.816 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -62.25 -39.93 94.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.447 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 m -59.43 -42.22 91.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.51 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.62 -45.82 90.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.154 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.19 -39.88 94.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.457 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 25.0 mt -62.04 -41.92 98.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.814 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.49 -40.7 97.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.08 0.467 . . . . 0.0 110.37 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -63.08 -37.69 88.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.489 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.1 -10.38 30.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.567 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 90.9 p -58.25 -32.02 67.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.782 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -82.9 -18.4 40.32 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.15 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.44 ' C ' ' H ' ' C' ' 2' ' ' ASN . 5.5 t . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.498 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp . . . . . 0 CA--C 1.516 -0.358 0 CA-C-O 120.964 0.411 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . 0.528 HD22 ' HB2' ' C' ' 4' ' ' GLU . 33.1 t30 -62.25 137.21 95.85 Favored Pre-proline 0 N--CA 1.445 -0.72 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.565 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.72 -23.86 43.23 Favored 'Trans proline' 0 N--CA 1.5 1.879 0 C-N-CA 122.565 2.176 . . . . 0.0 112.167 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . 0.528 ' HB2' HD22 ' C' ' 2' ' ' ASN . 98.8 mt-10 -61.99 -14.97 40.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.475 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.84 -26.78 64.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.276 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.17 -37.51 83.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.47 -39.41 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 0.0 110.493 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . 0.594 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.7 mp -62.04 -41.05 89.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.134 0.493 . . . . 0.0 109.936 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 96.2 m -59.74 -41.5 91.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.769 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -62.35 -39.82 94.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.386 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 23.1 m -59.68 -42.5 93.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.461 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.5 -45.63 91.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.077 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.1 -39.81 94.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.449 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.05 -42.26 99.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.801 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.34 -40.85 98.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.097 0.475 . . . . 0.0 110.475 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.03 -37.71 88.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.612 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.96 -10.24 27.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.425 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 95.5 p -58.01 -31.99 67.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 72.7 m -83.16 -18.07 40.7 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.171 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 2' ' ' ASN . 6.4 t . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.814 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' C' ' 20' ' ' SER . 35.5 p-10 -60.87 146.87 86.27 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.603 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.43 -24.1 50.01 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.676 2.251 . . . . 0.0 112.45 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.403 ' OE2' ' N ' ' A' ' 4' ' ' GLU . 57.9 mp0 -64.12 -12.92 44.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.579 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.29 -31.75 67.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.304 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.72 -40.31 94.62 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.074 0.464 . . . . 0.0 110.608 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -64.76 -35.71 81.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.17 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.5 mm -61.19 -39.52 82.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.769 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.9 m -59.76 -41.39 90.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.801 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -61.86 -39.6 92.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.403 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.0 t -55.25 -45.02 76.08 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.57 -41.34 98.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.294 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -62.83 -39.96 95.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.355 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.6 mt -62.21 -42.33 99.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.528 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 15' ' ' LEU . 98.0 mt -65.03 -40.29 94.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.483 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.53 -36.78 83.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.352 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.47 -9.33 17.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.367 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.6 t -56.66 -33.07 66.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.456 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.1 p -78.69 -13.44 59.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.422 ' C ' ' H ' ' B' ' 2' ' ' ASN . 20.6 m . . . . . 0 C--N 1.32 -0.703 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.623 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.909 0.385 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 20' ' ' SER . 35.7 p-10 -60.83 146.77 86.21 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.651 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.26 -23.81 51.61 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.665 2.243 . . . . 0.0 112.389 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.438 ' OE2' ' N ' ' B' ' 4' ' ' GLU . 57.8 mp0 -64.25 -12.91 45.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.597 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.4 -31.88 68.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.3 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.61 -40.05 93.44 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.104 0.478 . . . . 0.0 110.605 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -64.97 -35.98 82.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.081 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 48.6 mm -61.09 -39.0 80.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.683 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.5 m -60.17 -41.54 93.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.823 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -61.95 -39.09 90.91 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.342 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 22.2 t -56.09 -44.46 79.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.382 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.06 -40.75 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.24 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.18 -40.13 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.199 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 17.3 mt -62.15 -42.59 99.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.457 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.79 -40.23 94.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.405 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.75 -37.5 86.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.437 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.14 -9.18 15.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.163 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.6 t -56.56 -33.04 65.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.473 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.1 p -78.45 -13.96 59.59 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.42 ' C ' ' H ' ' C' ' 2' ' ' ASN . 20.3 m . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.597 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.233 0.237 0 CA-C-O 120.844 0.354 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . 0.42 ' H ' ' C ' ' B' ' 20' ' ' SER . 35.9 p-10 -60.89 146.91 86.31 Favored Pre-proline 0 N--CA 1.451 -0.382 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.695 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.48 -23.48 50.4 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.666 2.244 . . . . 0.0 112.382 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . 0.458 ' OE2' ' N ' ' C' ' 4' ' ' GLU . 57.2 mp0 -64.95 -12.85 54.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.621 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.48 -31.82 68.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.173 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.57 -40.26 94.09 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.09 0.472 . . . . 0.0 110.52 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -64.88 -36.0 82.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.193 0.521 . . . . 0.0 110.207 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 49.3 mm -61.07 -38.91 80.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.886 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 85.3 m -60.21 -41.39 92.9 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -61.79 -39.7 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.316 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 23.7 t -55.25 -44.74 75.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.919 0.39 . . . . 0.0 110.343 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.7 -40.83 98.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.238 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.06 -40.4 97.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.208 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.6 mt -62.06 -42.57 99.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.537 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.67 -40.28 95.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.472 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.7 -37.32 86.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.455 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.8 -9.05 12.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.244 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 35.2 t -56.94 -32.8 66.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.601 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 87.2 p -78.41 -13.91 59.63 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 2' ' ' ASN . 20.4 m . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.549 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.762 0.315 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -63.79 151.58 88.63 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.558 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.24 -20.33 69.71 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 C-N-CA 122.921 2.414 . . . . 0.0 111.984 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -65.08 -12.24 48.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.275 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.16 -25.08 61.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.209 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.39 -37.61 81.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.399 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -64.08 -37.41 87.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.572 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.564 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.6 mp -61.59 -44.74 99.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.943 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.2 m -61.18 -41.69 97.24 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -62.65 -40.06 95.84 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 t -54.61 -48.14 72.56 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.285 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.57 -43.48 98.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.318 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -62.28 -42.09 99.05 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.419 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.1 mt -62.78 -41.21 99.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.216 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.52 -39.51 91.9 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.113 0.483 . . . . 0.0 110.591 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.06 -36.21 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.382 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.88 -9.0 12.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.506 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.2 t -56.08 -33.51 65.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.541 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.4 p -78.91 -10.27 59.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.711 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.647 179.466 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.797 0.332 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 37.9 p-10 -63.5 152.19 86.14 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.588 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.44 -19.9 68.84 Favored 'Trans proline' 0 C--N 1.304 -1.813 0 C-N-CA 122.849 2.366 . . . . 0.0 111.997 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.05 -13.06 57.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.33 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.72 -25.02 59.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.177 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.45 -37.96 82.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.279 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -63.78 -37.82 88.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.538 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.56 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.6 mp -61.42 -44.53 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.916 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 92.1 m -61.4 -41.74 97.62 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -62.43 -39.79 94.47 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 7.2 t -54.99 -48.2 73.62 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.292 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.49 -43.57 98.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.266 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -62.24 -42.02 98.94 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.403 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.62 -41.51 99.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.348 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.29 -39.62 92.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.134 0.492 . . . . 0.0 110.571 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.1 -36.12 80.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.79 -8.97 12.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.402 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 39.6 t -56.28 -33.87 65.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.543 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 91.6 p -78.58 -10.55 59.77 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.735 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.652 179.401 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.889 0.376 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -63.61 151.78 87.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.575 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.22 -19.81 67.99 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.862 2.375 . . . . 0.0 112.016 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.38 -12.56 53.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.155 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.94 -25.23 60.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.222 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.42 -37.26 80.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.462 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -64.49 -37.98 89.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.634 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . 0.568 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.5 mp -61.37 -44.39 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 81.2 m -61.2 -42.01 97.83 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -62.61 -39.55 94.14 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 7.6 t -54.88 -48.09 73.44 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.842 0.353 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.75 -43.37 98.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.188 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.44 -42.15 99.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.276 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 mt -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.445 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.19 -39.3 92.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.621 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.98 -36.95 82.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.467 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.12 -8.76 8.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.403 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 42.1 t -56.16 -33.82 65.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.559 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 92.0 p -78.84 -11.18 59.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.714 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.64 179.512 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 120.997 0.427 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 10.7 p-10 -60.14 150.82 69.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.068 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.439 ' O ' ' OE1' ' A' ' 6' ' ' GLU . 36.9 Cg_endo -64.44 -19.1 65.0 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 122.531 2.154 . . . . 0.0 111.931 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.57 -11.96 40.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.503 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.52 -31.92 66.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.125 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' A' ' 3' ' ' PRO . 1.9 mp0 -61.73 -39.63 92.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 110.107 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -64.47 -38.78 92.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.007 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.543 HG21 ' HB3' ' C' ' 18' ' ' SER . 37.4 mm -62.63 -42.2 95.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.2 m -60.73 -42.8 98.02 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -63.91 -38.6 91.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.194 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 t -53.89 -48.37 70.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.116 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -64.0 -42.1 97.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.14 0.495 . . . . 0.0 110.735 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.43 -38.75 92.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.709 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.03 -41.75 98.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.597 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.81 -39.14 93.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.989 0.423 . . . . 0.0 110.5 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.92 -37.26 84.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.673 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.52 -10.72 27.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.43 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.563 ' HB3' HG21 ' B' ' 8' ' ' ILE . 93.6 p -59.73 -21.81 61.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.937 0.398 . . . . 0.0 110.907 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m -81.17 -17.12 50.84 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.419 ' C ' ' H ' ' B' ' 2' ' ' ASN . 50.4 m . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.79 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.98 0.419 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.482 ' N ' ' OD1' ' B' ' 2' ' ' ASN . 10.3 p-10 -60.07 150.9 68.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.083 -178.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.417 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 37.0 Cg_endo -64.31 -18.89 64.8 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.555 2.17 . . . . 0.0 111.935 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.92 -12.2 46.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.553 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.63 -31.79 66.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.042 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.417 ' OE1' ' O ' ' B' ' 3' ' ' PRO . 1.7 mp0 -61.71 -39.77 92.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.885 0.374 . . . . 0.0 110.093 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -64.48 -38.81 92.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.989 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.563 HG21 ' HB3' ' A' ' 18' ' ' SER . 37.7 mm -62.7 -42.03 94.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 -178.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 78.3 m -60.54 -42.99 97.63 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -63.4 -38.78 92.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.451 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 18.8 t -54.16 -48.4 70.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.352 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -63.87 -41.99 97.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.112 0.482 . . . . 0.0 110.584 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -64.41 -39.03 93.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.78 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 25.9 mt -61.88 -41.9 98.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.595 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.68 -39.2 93.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.054 0.454 . . . . 0.0 110.379 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.02 -36.79 82.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.618 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.98 -10.66 31.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.585 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.575 ' HB3' HG21 ' C' ' 8' ' ' ILE . 92.1 p -59.63 -22.04 61.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.903 0.382 . . . . 0.0 110.998 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 66.2 m -81.0 -17.22 51.1 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.803 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.425 ' C ' ' H ' ' C' ' 2' ' ' ASN . 40.3 m . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.688 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.955 0.407 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' C' ' 2' ' ' ASN . 11.0 p-10 -60.1 150.91 68.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.142 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' PRO . . . . . 0.428 ' O ' ' OE1' ' C' ' 6' ' ' GLU . 36.6 Cg_endo -64.32 -19.12 65.29 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.51 2.14 . . . . 0.0 112.009 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.64 -11.94 40.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.562 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.62 -32.13 66.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.121 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' C' ' 3' ' ' PRO . 1.7 mp0 -61.71 -39.48 91.64 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.114 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -64.67 -38.88 92.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.074 0.464 . . . . 0.0 110.077 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . 0.575 HG21 ' HB3' ' B' ' 18' ' ' SER . 37.3 mm -62.55 -42.04 94.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -178.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 80.4 m -60.68 -42.81 97.85 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -63.71 -38.62 91.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.245 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 17.3 t -53.99 -48.27 70.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.204 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -64.18 -42.01 96.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.977 0.418 . . . . 0.0 110.774 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.6 -38.77 92.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.83 -41.95 98.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.648 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.87 -39.16 93.1 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.057 0.456 . . . . 0.0 110.442 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.98 -36.91 82.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.632 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.66 -10.84 29.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.476 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' SER . . . . . 0.543 ' HB3' HG21 ' A' ' 8' ' ' ILE . 93.0 p -59.77 -21.58 60.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.953 0.406 . . . . 0.0 110.925 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 72.5 m -80.95 -17.52 50.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.441 ' C ' ' H ' ' A' ' 2' ' ' ASN . 39.8 m . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.847 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 N--CA 1.466 0.348 0 CA-C-O 121.171 0.51 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.9 155.03 73.85 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.139 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.19 -23.97 39.22 Favored 'Trans proline' 0 N--CA 1.501 1.933 0 C-N-CA 122.482 2.121 . . . . 0.0 111.968 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.55 -13.25 28.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.414 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.34 -29.16 65.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.33 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.93 -40.79 96.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.126 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.71 -38.36 88.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.89 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.7 mm -62.64 -42.02 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.819 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.5 m -60.66 -42.65 97.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.176 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.529 ' NH2' HD11 ' A' ' 14' ' ' LEU . 64.3 ttp85 -62.43 -41.21 98.55 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.7 t -60.03 -41.2 91.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.392 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.96 -41.65 96.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.069 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -62.43 -39.82 94.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.259 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.529 HD11 ' NH2' ' A' ' 10' ' ' ARG . 90.9 mt -63.37 -41.23 98.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.036 0.446 . . . . 0.0 110.232 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.54 -39.87 94.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.192 0.52 . . . . 0.0 110.406 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.58 -33.06 74.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -62.4 -8.07 5.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.193 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.0 t -56.3 -34.01 66.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 64.2 m -81.16 -10.79 59.58 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.747 179.52 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 121.192 0.52 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.65 155.06 71.51 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.124 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.02 -24.22 38.9 Favored 'Trans proline' 0 N--CA 1.5 1.903 0 C-N-CA 122.29 1.993 . . . . 0.0 112.052 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.61 -13.35 30.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.375 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.23 -29.3 65.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.289 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.0 -41.0 97.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 0.0 110.262 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -65.58 -38.35 89.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.062 0.458 . . . . 0.0 109.903 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 38.1 mm -62.62 -42.06 94.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.928 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 87.4 m -60.41 -42.56 96.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.075 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.532 ' NH2' HD11 ' B' ' 14' ' ' LEU . 64.5 ttp85 -62.15 -41.65 98.49 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 37.0 t -59.87 -41.13 90.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.592 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.04 -41.74 97.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.136 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -62.3 -39.82 94.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.208 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.532 HD11 ' NH2' ' B' ' 10' ' ' ARG . 89.8 mt -63.24 -41.52 99.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.07 0.462 . . . . 0.0 110.192 179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.53 -39.48 93.83 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.147 0.498 . . . . 0.0 110.409 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.62 -33.25 74.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.776 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.55 -8.12 5.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.187 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.6 t -56.13 -33.49 65.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.955 0.407 . . . . 0.0 110.399 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.0 m -81.04 -12.26 59.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.787 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.523 179.448 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 62.8 mttp . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 121.086 0.47 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.67 154.87 72.57 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.221 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.0 -23.85 37.01 Favored 'Trans proline' 0 N--CA 1.501 1.925 0 C-N-CA 122.327 2.018 . . . . 0.0 112.059 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -62.74 -13.29 31.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.455 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.35 -29.3 65.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.345 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.83 -40.91 96.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.992 0.425 . . . . 0.0 110.267 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -65.46 -38.31 89.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.028 0.442 . . . . 0.0 109.846 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 37.2 mm -62.59 -42.05 94.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.861 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 82.0 m -60.6 -42.61 97.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.16 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.545 ' NH2' HD11 ' C' ' 14' ' ' LEU . 64.7 ttp85 -62.31 -41.65 98.7 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 34.9 t -59.83 -40.91 90.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.477 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -61.24 -41.38 96.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.123 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -62.59 -39.88 95.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.235 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . 0.545 HD11 ' NH2' ' C' ' 10' ' ' ARG . 89.7 mt -63.35 -41.32 98.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.08 0.467 . . . . 0.0 110.261 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.63 -39.79 94.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.258 0.552 . . . . 0.0 110.55 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.58 -33.29 74.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.68 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.46 -7.96 5.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.144 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 38.5 t -56.25 -33.84 65.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.535 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 67.8 m -80.71 -12.13 59.52 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.819 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.535 179.402 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.017 0.437 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.1 p-10 -61.18 149.96 80.76 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.546 -178.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -63.19 -24.23 72.68 Favored 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 122.701 2.267 . . . . 0.0 112.376 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 4' ' ' GLU . 56.2 mp0 -64.11 -13.06 45.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.652 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.14 -25.42 61.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.223 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -60.42 -35.89 76.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.018 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.461 ' CD ' HH11 ' A' ' 10' ' ' ARG . 48.8 tp10 -62.23 -39.96 94.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.992 0.425 . . . . 0.0 110.455 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.551 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -61.36 -42.41 93.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 86.7 m -60.56 -42.8 97.33 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.461 HH11 ' CD ' ' A' ' 7' ' ' GLU . 59.7 ttp180 -63.24 -41.27 99.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.095 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.4 t -55.07 -43.67 74.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.1 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.81 -40.12 96.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.248 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.63 -41.6 97.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.197 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.4 mt -62.74 -41.71 99.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.005 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.95 -39.71 94.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.508 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.24 -36.66 82.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.459 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.67 -10.68 28.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.474 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -59.11 -24.43 62.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.94 0.4 . . . . 0.0 110.626 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.6 t -83.98 -18.32 37.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.986 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.405 ' C ' ' H ' ' B' ' 2' ' ' ASN . 61.1 p . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.805 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.949 0.404 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.405 ' H ' ' C ' ' A' ' 20' ' ' SER . 44.3 p-10 -61.24 149.99 80.96 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.615 -178.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -63.66 -23.04 70.05 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.461 ' OE2' ' N ' ' B' ' 4' ' ' GLU . 54.9 mp0 -65.14 -12.79 54.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.681 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.36 -25.44 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.137 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -60.44 -35.73 76.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.096 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.462 ' CD ' HH11 ' B' ' 10' ' ' ARG . 49.3 tp10 -62.45 -39.51 93.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.921 0.391 . . . . 0.0 110.398 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.562 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.5 mp -61.7 -42.75 95.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 88.0 m -60.55 -42.74 97.18 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.462 HH11 ' CD ' ' B' ' 7' ' ' GLU . 59.5 ttp180 -63.09 -41.71 99.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.167 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 13.2 t -54.99 -42.72 72.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.263 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.52 -39.89 95.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.117 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.51 -41.79 97.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.217 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 mt -62.74 -41.61 99.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.26 -39.64 94.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.452 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.5 -36.0 81.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.334 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.37 -10.46 33.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.608 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 95.9 p -59.11 -25.75 64.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.741 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.1 t -82.37 -18.63 41.38 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.01 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.416 ' C ' ' H ' ' C' ' 2' ' ' ASN . 76.7 p . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.707 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.914 0.388 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' B' ' 20' ' ' SER . 46.3 p-10 -61.46 149.77 82.65 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.671 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.54 -23.52 70.57 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' C' ' 4' ' ' GLU . 55.7 mp0 -64.5 -12.9 48.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.759 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.06 -25.09 60.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.189 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -60.67 -35.64 76.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.106 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . 0.471 ' CD ' HH11 ' C' ' 10' ' ' ARG . 49.4 tp10 -62.67 -39.7 94.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.003 0.43 . . . . 0.0 110.306 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . 0.563 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.5 mp -61.74 -42.54 94.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 93.5 m -60.68 -43.0 98.23 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.471 HH11 ' CD ' ' C' ' 7' ' ' GLU . 59.2 ttp180 -62.79 -41.45 99.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.051 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 t -54.94 -43.2 73.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.297 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.36 -39.83 95.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.088 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.58 -41.98 98.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.263 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.61 -41.5 99.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.3 -39.76 94.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.584 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.46 -36.18 81.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.32 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.84 -10.88 31.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.395 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 94.4 p -59.07 -24.88 63.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.995 0.426 . . . . 0.0 110.814 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 21.2 t -83.33 -18.23 39.65 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.036 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 71.1 p . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.049 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.5 mttp . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.966 0.412 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.44 ' H ' ' C ' ' C' ' 20' ' ' SER . 19.3 p-10 -61.24 149.99 80.94 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.859 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.529 ' O ' ' OE2' ' A' ' 6' ' ' GLU . 33.0 Cg_endo -64.43 -21.39 66.39 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 122.679 2.253 . . . . 0.0 111.847 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -65.13 -12.49 51.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.204 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.69 -36.99 75.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.178 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.529 ' OE2' ' O ' ' A' ' 3' ' ' PRO . 15.8 mp0 -61.52 -37.63 84.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.892 0.377 . . . . 0.0 110.381 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.465 ' CD ' HH11 ' A' ' 10' ' ' ARG . 49.9 tp10 -63.24 -38.12 89.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.057 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.0 mm -62.19 -41.72 92.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.742 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.0 m -60.36 -42.37 95.61 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.465 HH11 ' CD ' ' A' ' 7' ' ' GLU . 57.4 ttp180 -62.86 -41.44 99.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.339 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.5 t -56.11 -44.07 78.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.915 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -61.9 -41.9 98.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.351 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -60.8 -40.34 92.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.182 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.85 -41.56 97.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.489 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.68 -42.14 95.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.986 0.422 . . . . 0.0 110.517 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.34 -38.53 91.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.629 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.36 -10.28 31.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.315 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.0 p -59.09 -21.66 59.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.697 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.9 t -80.8 -17.43 50.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.893 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.437 ' C ' ' H ' ' B' ' 2' ' ' ASN . 23.6 t . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.611 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.7 mttp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.855 0.36 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' A' ' 20' ' ' SER . 17.3 p-10 -61.2 149.74 81.53 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.82 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.497 ' O ' ' OE2' ' B' ' 6' ' ' GLU . 32.7 Cg_endo -64.14 -21.79 67.6 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 122.643 2.229 . . . . 0.0 111.956 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.8 -12.77 51.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.209 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.46 -36.85 74.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.127 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.497 ' OE2' ' O ' ' B' ' 3' ' ' PRO . 13.6 mp0 -61.54 -37.27 83.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 110.451 178.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.508 ' CD ' HH11 ' B' ' 10' ' ' ARG . 50.0 tp10 -63.74 -38.34 90.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.031 0.443 . . . . 0.0 110.05 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 38.1 mm -62.0 -41.51 91.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.718 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 94.6 m -60.54 -42.5 96.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.508 HH11 ' CD ' ' B' ' 7' ' ' GLU . 57.0 ttp180 -62.45 -42.24 99.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.369 179.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 35.5 t -55.75 -43.55 76.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.251 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -62.08 -41.27 98.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.315 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -61.43 -40.07 93.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.219 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.02 -41.81 98.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.606 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.67 -41.93 95.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.028 0.442 . . . . 0.0 110.526 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.71 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.618 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -65.82 -9.97 33.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.215 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 91.1 p -59.28 -21.72 60.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.681 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 37.1 t -80.69 -17.38 51.31 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.895 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.439 ' C ' ' H ' ' C' ' 2' ' ' ASN . 23.0 t . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.622 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.886 0.374 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . 0.439 ' H ' ' C ' ' B' ' 20' ' ' SER . 16.6 p-10 -61.57 149.89 82.82 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.76 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' PRO . . . . . 0.52 ' O ' ' OE2' ' C' ' 6' ' ' GLU . 34.1 Cg_endo -64.47 -21.72 66.0 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 122.685 2.257 . . . . 0.0 111.929 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -64.73 -12.52 47.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.187 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.74 -36.99 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.181 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.52 ' OE2' ' O ' ' C' ' 3' ' ' PRO . 15.4 mp0 -61.51 -37.34 83.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 110.402 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . 0.498 ' CD ' HH11 ' C' ' 10' ' ' ARG . 50.3 tp10 -63.65 -38.16 90.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.12 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . . . . . . . . . 38.7 mm -62.07 -41.43 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 99.6 m -60.7 -42.5 97.32 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.498 HH11 ' CD ' ' C' ' 7' ' ' GLU . 57.4 ttp180 -62.6 -42.01 99.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.951 0.405 . . . . 0.0 110.293 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 35.5 t -55.94 -43.68 77.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.221 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.29 -41.24 98.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.281 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -61.49 -39.8 92.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.164 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.11 -41.76 98.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.505 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.78 -41.89 95.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.954 0.407 . . . . 0.0 110.472 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.82 -38.07 89.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.743 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.89 -10.03 34.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.362 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 90.8 p -59.2 -21.7 59.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.601 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 36.7 t -80.24 -17.96 50.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.883 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 2' ' ' ASN . 23.8 t . . . . . 0 C--N 1.32 -0.676 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.548 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt . . . . . 0 CA--C 1.516 -0.357 0 CA-C-O 121.106 0.479 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -66.99 154.73 91.86 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.069 -178.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -56.44 -21.1 35.9 Favored 'Trans proline' 0 N--CA 1.502 1.975 0 C-N-CA 122.313 2.009 . . . . 0.0 112.063 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.1 -15.81 47.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.515 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.75 -26.72 64.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.383 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.21 -38.11 85.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.306 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.521 ' CD ' HH11 ' A' ' 10' ' ' ARG . 49.7 tp10 -63.04 -38.79 92.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.307 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.538 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -61.44 -42.43 93.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.847 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.4 m -60.48 -43.42 96.98 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.896 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.521 HH11 ' CD ' ' A' ' 7' ' ' GLU . 60.2 ttp180 -63.49 -42.16 98.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.078 0.466 . . . . 0.0 110.501 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -56.7 -44.5 81.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.11 -42.3 98.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.374 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.63 -42.04 96.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.283 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.81 -42.07 99.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.776 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.93 -40.13 94.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.192 0.52 . . . . 0.0 110.451 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.6 -34.86 77.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.579 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.37 -9.33 11.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.411 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.4 m -57.61 -33.62 68.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.64 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -79.29 -16.1 56.92 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.669 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.476 179.746 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt . . . . . 0 CA--C 1.517 -0.32 0 CA-C-O 121.118 0.485 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 0.1 OUTLIER -66.89 154.75 91.52 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.206 -178.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -56.46 -21.29 36.93 Favored 'Trans proline' 0 N--CA 1.502 1.995 0 C-N-CA 122.373 2.049 . . . . 0.0 111.99 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.94 -15.87 46.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.87 -26.82 64.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.322 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.03 -38.07 84.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.394 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.523 ' CD ' HH11 ' B' ' 10' ' ' ARG . 49.7 tp10 -62.97 -38.82 92.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.903 0.382 . . . . 0.0 110.372 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.538 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.4 mp -61.63 -42.39 93.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.803 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 90.2 m -60.49 -43.44 96.99 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.79 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.523 HH11 ' CD ' ' B' ' 7' ' ' GLU . 60.6 ttp180 -63.77 -41.97 97.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.466 178.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 16.0 t -56.77 -44.44 81.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.814 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.32 -42.37 98.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.276 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.49 -41.87 95.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.139 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.8 -42.01 99.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.84 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.93 -39.98 94.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.182 0.515 . . . . 0.0 110.596 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.81 -34.64 77.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.469 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.25 -9.56 12.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.386 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 65.2 m -57.39 -33.6 68.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.122 0.486 . . . . 0.0 110.515 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -79.35 -16.04 56.93 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.476 179.721 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt . . . . . 0 CA--C 1.516 -0.361 0 CA-C-O 121.088 0.471 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' C' ' 2' ' ' ASN . 0.1 OUTLIER -66.98 154.71 91.86 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.11 -178.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.47 -21.3 37.05 Favored 'Trans proline' 0 N--CA 1.501 1.967 0 C-N-CA 122.393 2.062 . . . . 0.0 112.137 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.86 -15.77 44.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.537 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.81 -26.72 64.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.27 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.15 -38.23 85.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.444 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . 0.521 ' CD ' HH11 ' C' ' 10' ' ' ARG . 49.9 tp10 -63.07 -38.7 92.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.863 0.363 . . . . 0.0 110.277 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . 0.539 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.4 mp -61.68 -42.44 94.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.865 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 93.0 m -60.37 -43.48 96.54 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.857 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.521 HH11 ' CD ' ' C' ' 7' ' ' GLU . 60.4 ttp180 -63.58 -42.11 98.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.042 0.449 . . . . 0.0 110.318 178.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 11.1 t -56.57 -44.78 81.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.06 -42.29 98.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.329 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -60.54 -42.04 95.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.304 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.81 -42.02 99.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.749 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.79 -40.15 94.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.204 0.526 . . . . 0.0 110.527 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.62 -34.92 78.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.618 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.31 -9.23 10.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.448 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 68.6 m -57.66 -33.82 68.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -79.36 -16.24 56.6 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.794 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.609 179.826 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.097 0.475 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -65.48 153.68 89.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.95 -178.803 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.46 -25.51 58.41 Favored 'Trans proline' 0 N--CA 1.499 1.796 0 C-N-CA 122.458 2.105 . . . . 0.0 112.237 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.03 -19.99 63.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.506 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.38 -32.7 68.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.257 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.59 -36.3 80.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.175 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.518 ' CD ' HH11 ' A' ' 10' ' ' ARG . 48.2 tp10 -62.31 -40.35 96.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.944 0.402 . . . . 0.0 110.147 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.556 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -61.51 -43.37 96.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.064 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.3 m -61.04 -42.54 98.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.147 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.518 HH11 ' CD ' ' A' ' 7' ' ' GLU . 58.3 ttp180 -60.38 -35.3 75.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.113 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.461 ' O ' HD23 ' A' ' 15' ' ' LEU . 9.9 t -52.22 -41.67 62.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.369 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.36 -38.34 83.53 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.561 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.51 -38.96 89.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.164 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.36 -43.16 99.46 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.699 -179.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.473 ' N ' HD22 ' A' ' 15' ' ' LEU . 3.9 mm? -63.07 -42.72 99.74 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.375 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.14 -39.88 93.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.248 0.547 . . . . 0.0 110.408 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -68.52 -11.56 60.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.396 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.0 p -58.64 -26.46 63.77 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.39 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.8 p -85.43 -14.17 47.04 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.159 0.504 . . . . 0.0 110.948 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.7 t . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.786 179.757 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 121.033 0.444 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' B' ' 2' ' ' ASN . 0.0 OUTLIER -65.54 153.61 90.02 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.902 -178.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -56.68 -25.44 60.07 Favored 'Trans proline' 0 N--CA 1.499 1.8 0 C-N-CA 122.502 2.134 . . . . 0.0 112.129 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.1 -19.83 63.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.58 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.46 -32.63 68.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.394 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.44 -35.95 79.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.187 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.508 ' CD ' HH11 ' B' ' 10' ' ' ARG . 48.2 tp10 -62.41 -40.13 95.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.562 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.7 mp -61.87 -43.48 97.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.348 -0.387 . . . . 0.0 109.987 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -60.9 -42.56 98.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.193 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.508 HH11 ' CD ' ' B' ' 7' ' ' GLU . 57.9 ttp180 -60.48 -35.54 76.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.993 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . 0.464 ' O ' HD23 ' B' ' 15' ' ' LEU . 10.8 t -52.08 -41.51 62.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.368 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.4 -38.34 83.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.823 0.344 . . . . 0.0 110.514 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.37 -39.15 89.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.214 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.17 -43.41 98.9 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.671 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' B' ' 15' ' ' LEU . 3.9 mm? -63.05 -42.73 99.8 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.327 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -65.24 -39.72 93.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.246 0.546 . . . . 0.0 110.315 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.44 -11.5 59.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.264 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' B' ' 15' ' ' LEU . 82.7 p -58.75 -26.81 64.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.427 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.3 p -85.45 -14.47 46.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.942 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.77 179.7 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 121.095 0.474 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . 0.51 ' O ' ' ND2' ' C' ' 2' ' ' ASN . 0.0 OUTLIER -65.34 153.58 89.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.93 -178.867 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.56 -25.48 59.17 Favored 'Trans proline' 0 N--CA 1.499 1.835 0 C-N-CA 122.582 2.188 . . . . 0.0 112.128 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.06 -19.53 63.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.46 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.0 69.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.191 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.44 -36.72 81.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.161 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . 0.519 ' OE2' ' NH1' ' C' ' 10' ' ' ARG . 47.7 tp10 -62.02 -40.44 95.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.119 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . 0.567 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.7 mp -61.55 -43.28 96.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.014 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.8 m -61.08 -42.52 98.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.319 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.519 ' NH1' ' OE2' ' C' ' 7' ' ' GLU . 58.2 ttp180 -60.49 -35.3 75.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.027 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . 0.46 ' O ' HD23 ' C' ' 15' ' ' LEU . 9.5 t -52.24 -41.26 62.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.402 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.47 -38.01 82.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.813 0.339 . . . . 0.0 110.465 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.0 -39.01 90.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.157 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.2 -43.3 99.15 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.656 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.484 ' N ' HD22 ' C' ' 15' ' ' LEU . 4.0 mm? -63.08 -42.79 99.72 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.488 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.1 -39.62 93.39 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.323 0.582 . . . . 0.0 110.482 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -68.91 -11.33 60.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.304 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 84.2 p -58.5 -26.23 63.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.346 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 83.7 p -85.89 -14.65 44.21 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.899 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.724 179.737 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.944 0.402 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.458 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -61.58 149.61 83.67 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.887 -179.276 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.39 -20.67 66.53 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.706 2.271 . . . . 0.0 112.048 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.48 -14.33 56.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.392 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.95 -25.6 63.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.364 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -60.56 -36.8 79.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.454 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' OE1' ' NH1' ' A' ' 10' ' ' ARG . 47.3 tp10 -62.58 -39.47 93.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.402 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.635 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.6 mp -61.92 -42.54 95.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.966 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.9 m -61.03 -42.13 97.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.885 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.403 ' NH1' ' OE1' ' A' ' 7' ' ' GLU . 58.0 ttp180 -62.58 -41.25 98.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.097 0.475 . . . . 0.0 110.026 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.49 -40.36 91.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.409 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -59.9 -43.29 94.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.865 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.1 -39.74 95.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.056 0.455 . . . . 0.0 110.33 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.42 -41.92 99.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.916 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.17 -42.4 99.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.268 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.06 -40.08 75.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.409 0.623 . . . . 0.0 110.626 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -69.49 -9.87 55.66 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.243 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 84.8 p -58.85 -21.72 57.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.408 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.4 m -82.64 -11.47 58.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.783 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.658 179.711 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.76 0.314 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . 0.441 ' O ' ' ND2' ' B' ' 2' ' ' ASN . 0.1 OUTLIER -61.31 149.66 82.32 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.044 -179.309 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.85 -20.35 64.55 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.671 2.247 . . . . 0.0 112.018 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -64.49 -14.38 56.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.83 -25.57 63.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.494 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -60.57 -36.88 79.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.383 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.58 -38.96 92.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.246 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.64 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.6 mp -62.22 -42.42 95.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.984 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 90.8 m -61.18 -42.05 97.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.852 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -62.59 -41.7 99.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.076 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.06 -40.08 88.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.484 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.29 -43.6 96.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.974 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.07 -39.75 95.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.068 0.461 . . . . 0.0 109.97 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.86 -42.72 99.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.993 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.86 -42.67 99.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.316 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -69.53 -39.96 77.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.363 0.602 . . . . 0.0 110.641 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -69.53 -9.66 54.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.165 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 67.1 p -58.7 -22.54 57.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.573 -178.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -81.94 -12.9 58.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.717 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.71 179.562 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.825 0.345 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . 0.462 ' O ' ' ND2' ' C' ' 2' ' ' ASN . 0.1 OUTLIER -61.42 149.77 82.49 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 -179.161 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.31 -21.32 67.02 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.63 2.22 . . . . 0.0 112.106 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.55 -14.31 50.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.41 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.81 -25.6 63.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.331 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -60.59 -37.16 80.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.554 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -62.41 -39.09 92.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.426 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . 0.65 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.6 mp -62.25 -42.34 94.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.019 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 88.2 m -61.49 -41.95 98.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.81 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -62.6 -41.24 98.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.075 0.464 . . . . 0.0 110.12 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.82 -39.96 90.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.506 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -60.17 -43.34 95.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.993 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.05 -39.57 95.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.947 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.24 -42.46 99.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.979 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.8 -42.61 99.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.291 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.06 -39.91 75.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.363 0.601 . . . . 0.0 110.659 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.54 -10.12 56.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.487 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 92.8 p -58.63 -21.88 55.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.439 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 74.5 m -82.49 -12.82 57.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.876 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.907 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 121.126 0.488 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' C' ' 20' ' ' SER . 33.5 p-10 -63.86 150.08 91.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.239 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -64.25 -18.99 65.32 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.377 2.051 . . . . 0.0 111.952 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -63.65 -14.9 56.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.635 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.32 -26.64 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.503 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.27 -38.2 85.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.197 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -62.69 -38.05 88.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.767 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.578 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -62.15 -44.86 99.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.8 m -61.95 -43.19 99.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 109.871 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.552 ' NH2' HD11 ' A' ' 14' ' ' LEU . 70.5 ttp85 -63.34 -40.61 97.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.736 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 t -54.21 -45.5 72.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.763 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -62.04 -42.86 99.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.083 0.468 . . . . 0.0 109.976 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -61.81 -38.98 90.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.375 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.552 HD11 ' NH2' ' A' ' 10' ' ' ARG . 72.2 mt -62.12 -41.96 98.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.513 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.54 -41.47 96.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.095 0.474 . . . . 0.0 110.411 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.42 -37.05 85.78 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.164 0.507 . . . . 0.0 110.574 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.72 -9.4 19.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.637 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.7 p -59.02 -22.74 61.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 110.7 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.9 m -84.07 -13.2 53.7 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.72 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.662 179.645 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 CA--C 1.522 -0.1 0 CA-C-O 121.005 0.431 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -64.19 150.13 93.0 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.161 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -64.37 -18.96 64.95 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.388 2.058 . . . . 0.0 112.089 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -63.57 -15.18 57.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.625 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.24 -26.6 63.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.583 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -61.21 -38.41 86.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -62.61 -38.04 88.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.809 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.59 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.5 mp -62.03 -44.71 99.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.7 m -62.1 -43.24 99.26 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.555 ' NH2' HD11 ' B' ' 14' ' ' LEU . 70.6 ttp85 -63.33 -40.75 98.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.719 179.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -53.92 -45.51 71.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.797 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -62.1 -42.89 99.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.13 0.49 . . . . 0.0 109.93 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -61.76 -39.04 90.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.344 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.555 HD11 ' NH2' ' B' ' 10' ' ' ARG . 71.6 mt -61.98 -42.0 98.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.575 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.69 -41.36 96.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.029 0.442 . . . . 0.0 110.422 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.44 -36.94 85.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.184 0.516 . . . . 0.0 110.628 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.86 -9.28 19.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.705 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 95.4 p -58.85 -22.83 59.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.014 0.435 . . . . 0.0 110.722 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.3 m -84.12 -13.41 53.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.642 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.738 179.726 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.97 0.414 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -64.22 150.18 93.01 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.243 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.35 -18.99 65.07 Favored 'Trans proline' 0 N--CA 1.499 1.798 0 C-N-CA 122.397 2.065 . . . . 0.0 112.059 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -63.7 -14.92 56.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.622 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.26 -26.71 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.472 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.18 -38.4 86.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.115 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -62.71 -38.06 88.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.708 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . 0.596 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.6 mp -62.11 -44.71 99.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -61.87 -43.27 99.19 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.548 ' NH2' HD11 ' C' ' 14' ' ' LEU . 70.8 ttp85 -63.28 -40.76 98.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.748 179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 10.8 t -53.96 -45.62 71.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.664 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -61.97 -42.94 99.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.082 0.468 . . . . 0.0 109.945 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -61.82 -39.01 90.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.363 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . 0.548 HD11 ' NH2' ' C' ' 10' ' ' ARG . 72.0 mt -62.07 -42.03 98.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.598 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.7 -41.42 96.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.976 0.417 . . . . 0.0 110.388 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.58 -36.96 85.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.174 0.511 . . . . 0.0 110.569 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.54 -9.61 20.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.484 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 94.9 p -58.78 -22.68 58.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.966 0.413 . . . . 0.0 110.753 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 69.2 m -83.94 -13.39 53.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.805 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 2' ' ' ASN . 26.0 t . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.659 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.521 -0.146 0 CA-C-O 120.948 0.404 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 24.3 p-10 -62.2 151.51 81.32 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.015 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.405 ' O ' ' OE1' ' A' ' 6' ' ' GLU . 35.3 Cg_endo -63.04 -19.01 68.0 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.457 2.105 . . . . 0.0 111.952 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.08 -13.92 59.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.507 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.59 -27.76 64.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.52 ' N ' ' OE2' ' A' ' 6' ' ' GLU . 0.9 OUTLIER -61.11 -37.7 83.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.783 0.325 . . . . 0.0 110.147 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.487 ' CD ' HH11 ' A' ' 10' ' ' ARG . 48.5 tp10 -62.69 -39.06 92.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.879 0.371 . . . . 0.0 110.454 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -61.74 -42.36 94.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.1 m -60.44 -43.09 97.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.487 HH11 ' CD ' ' A' ' 7' ' ' GLU . 61.1 ttp180 -62.9 -42.15 99.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.046 0.451 . . . . 0.0 110.116 178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 t -58.68 -40.48 83.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.436 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.12 -42.2 98.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.154 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -60.56 -41.87 95.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.085 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.33 -42.46 99.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.23 -42.06 93.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.09 0.471 . . . . 0.0 110.616 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.55 -37.79 88.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.739 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.31 -9.89 28.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.439 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 94.9 p -58.89 -23.82 61.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.883 0.373 . . . . 0.0 110.772 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.5 p -82.93 -13.16 56.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.953 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.955 179.824 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 121.022 0.439 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -62.02 151.45 80.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.032 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.417 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 33.9 Cg_endo -62.84 -19.08 67.69 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.568 2.179 . . . . 0.0 111.871 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.98 -13.94 58.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.428 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.48 -27.92 64.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.541 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.521 ' OE2' ' N ' ' B' ' 6' ' ' GLU . 0.9 OUTLIER -61.08 -37.61 83.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.788 0.328 . . . . 0.0 110.259 179.629 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.488 ' OE2' ' NH1' ' B' ' 10' ' ' ARG . 48.4 tp10 -62.71 -39.12 93.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.34 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.528 ' N ' HD12 ' B' ' 8' ' ' ILE . 1.4 mp -61.62 -42.43 94.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 91.9 m -60.49 -43.06 97.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.488 ' NH1' ' OE2' ' B' ' 7' ' ' GLU . 61.3 ttp180 -63.06 -41.98 99.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.977 0.418 . . . . 0.0 110.066 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 t -58.9 -40.23 83.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.558 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.33 -42.16 98.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.164 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.59 -41.79 95.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.063 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.35 -42.52 99.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.766 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.2 -42.07 93.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.066 0.46 . . . . 0.0 110.554 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.61 -38.1 89.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.788 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.18 -9.8 26.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.475 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 94.6 p -58.96 -23.74 61.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.629 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -82.6 -13.39 56.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.869 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.816 179.859 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.976 0.417 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' C' ' 2' ' ' ASN . 24.6 p-10 -61.89 151.55 79.41 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.036 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' PRO . . . . . 0.406 ' O ' ' OE1' ' C' ' 6' ' ' GLU . 35.9 Cg_endo -63.19 -18.85 66.95 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 122.466 2.11 . . . . 0.0 111.851 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.02 -13.99 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.581 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.65 -27.8 65.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.52 ' N ' ' OE2' ' C' ' 6' ' ' GLU . 0.9 OUTLIER -61.08 -37.68 83.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.188 179.676 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . 0.497 ' CD ' HH11 ' C' ' 10' ' ' ARG . 48.7 tp10 -62.74 -39.1 93.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 0.0 110.409 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' ILE . . . . . 0.539 ' N ' HD12 ' C' ' 8' ' ' ILE . 1.4 mp -61.67 -42.3 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 90.6 m -60.54 -43.02 97.65 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.624 -0.43 . . . . 0.0 109.876 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.497 HH11 ' CD ' ' C' ' 7' ' ' GLU . 61.1 ttp180 -62.97 -41.99 99.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.97 0.414 . . . . 0.0 110.122 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 15.6 t -58.87 -40.22 83.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.571 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -61.12 -42.19 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.12 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -60.7 -41.63 95.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.045 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.41 -42.54 99.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.823 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.33 -42.04 93.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.021 0.439 . . . . 0.0 110.555 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.58 -37.97 89.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.807 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.26 -9.89 27.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.385 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 94.7 p -58.96 -23.57 61.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.631 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 84.7 p -82.85 -13.7 55.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.889 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.916 179.8 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ZBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_